Entire Amber Developers Archive by thread
- amber-developers: TEST message - please ignore. Ross Walker (Wed Apr 05 2006 - 13:39:31 PDT)
- amber-developers: ifort LOOP VECTORIZED messages John Mongan (Tue Apr 04 2006 - 16:21:01 PDT)
- amber-developers: Amber10 CVS tree is now available David A. Case (Tue Apr 04 2006 - 11:57:17 PDT)
- amber-developers: Re: CVS Problems. David A. Case (Tue Apr 04 2006 - 11:42:59 PDT)
- amber-developers: Ancient PGF90 compiler - v3.2-4 Ross Walker (Mon Apr 03 2006 - 09:07:34 PDT)
- amber-developers: PGF90 with no -tp option. Ross Walker (Sat Apr 01 2006 - 22:51:51 PST)
- amber-developers: Problems in configure with pgf90 Ross Walker (Sat Apr 01 2006 - 09:52:35 PST)
- amber-developers: Problems with Make clean with current CVS Tree. Ross Walker (Sat Apr 01 2006 - 09:49:51 PST)
- amber-developers: lingering elif's Scott Brozell (Fri Mar 31 2006 - 13:05:14 PST)
- amber-developers: ti_ggcc tests.. vlimit errors? Ross Walker (Wed Mar 29 2006 - 15:12:58 PST)
- Re: amber-developers: ti_ggcc tests.. vlimit errors? Michael Crowley (Wed Mar 29 2006 - 23:22:10 PST)
- Re: amber-developers: ti_ggcc tests.. vlimit errors? David A. Case (Wed Mar 29 2006 - 16:21:31 PST)
- Re: amber-developers: ti_ggcc tests.. vlimit errors? Thomas E. Cheatham, III (Wed Mar 29 2006 - 16:36:04 PST)
- Re: amber-developers: ti_ggcc tests.. vlimit errors? David A. Case (Thu Mar 30 2006 - 10:00:50 PST)
- Re: amber-developers: ti_ggcc tests.. vlimit errors? Thomas E. Cheatham, III (Thu Mar 30 2006 - 23:58:29 PST)
- amber-developers: pathscale, gfortran and pgf90 problems David A. Case (Fri Mar 31 2006 - 08:14:43 PST)
- Re: amber-developers: pathscale, gfortran and pgf90 problems David A. Case (Fri Mar 31 2006 - 17:33:38 PST)
- Re: amber-developers: pathscale, gfortran and pgf90 problems Scott Brozell (Fri Mar 31 2006 - 14:06:52 PST)
- Re: amber-developers: pathscale, gfortran and pgf90 problems David A. Case (Fri Mar 31 2006 - 14:14:19 PST)
- Re: amber-developers: pathscale, gfortran and pgf90 problems Scott Brozell (Fri Mar 31 2006 - 14:35:24 PST)
- Re: amber-developers: pathscale, gfortran and pgf90 problems David A. Case (Fri Mar 31 2006 - 15:24:10 PST)
- Re: amber-developers: pathscale, gfortran and pgf90 problems Scott Brozell (Fri Mar 31 2006 - 16:38:46 PST)
- amber-developers: pgf90 and netcdf David A. Case (Fri Mar 31 2006 - 16:46:53 PST)
- Re: amber-developers: pgf90 and netcdf Scott Brozell (Fri Mar 31 2006 - 21:19:13 PST)
- Re: amber-developers: pgf90 and netcdf David A. Case (Fri Mar 31 2006 - 22:16:02 PST)
- Re: amber-developers: pgf90 and netcdf Scott Brozell (Fri Mar 31 2006 - 23:41:11 PST)
- Re: amber-developers: pgf90 and netcdf David A. Case (Sat Apr 01 2006 - 00:01:45 PST)
- Re: amber-developers: pgf90 and netcdf Scott Brozell (Sat Apr 01 2006 - 02:26:55 PST)
- Re: amber-developers: pgf90 and netcdf David A. Case (Sat Apr 01 2006 - 09:14:17 PST)
- Re: amber-developers: pgf90 and netcdf Scott Brozell (Sat Apr 01 2006 - 18:48:28 PST)
- amber-developers: using installed blas and lapack libraries David A. Case (Sat Apr 01 2006 - 20:37:48 PST)
- Re: amber-developers: pgf90 and netcdf Scott Brozell (Fri Mar 31 2006 - 16:59:59 PST)
- Re: amber-developers: pathscale, gfortran and pgf90 problems John Mongan (Fri Mar 31 2006 - 15:51:44 PST)
- Re: amber-developers: pathscale, gfortran and pgf90 problems Robert Duke (Fri Mar 31 2006 - 16:00:03 PST)
- Re: amber-developers: pathscale, gfortran and pgf90 problems Robert Duke (Fri Mar 31 2006 - 15:35:50 PST)
- Re: amber-developers: pathscale, gfortran and pgf90 problems David A. Case (Fri Mar 31 2006 - 16:28:53 PST)
- Re: amber-developers: pathscale, gfortran and pgf90 problems Robert Duke (Fri Mar 31 2006 - 09:39:40 PST)
- Re: amber-developers: ti_ggcc tests.. vlimit errors? Thomas Cheatham (Fri Mar 31 2006 - 00:04:47 PST)
- amber-developers: yet another snapshot David A. Case (Tue Mar 28 2006 - 16:15:13 PST)
- amber-developers: G95 64 bit problems. Ross Walker (Tue Mar 28 2006 - 14:47:17 PST)
- amber-developers: FW: test failures for QM/mm for SGI Ross Walker (Tue Mar 28 2006 - 12:59:14 PST)
- amber-developers: rem/hybrid test case David Case (Tue Mar 28 2006 - 11:02:59 PST)
- amber-developers: Problems with g95 running in x86_64 mode... Ross Walker (Mon Mar 27 2006 - 19:10:35 PST)
- amber-developers: Improving TEST_FAILURES.DAT naming in AMBER9; rename to TEST_FAILURES.diff Mark Williamson (Mon Mar 27 2006 - 17:11:06 PST)
- amber-developers: qmmm2/neb_gb ; ./Run.neb_link_atoms_qmgb2 crash on Sun John Mongan (Mon Mar 27 2006 - 13:34:29 PST)
- amber-developers: GB/LES GB1 diffcoords FP exception on Sun John Mongan (Mon Mar 27 2006 - 13:24:39 PST)
- amber-developers: fourth snapshot for Amber 9 is now available David A. Case (Thu Mar 23 2006 - 18:39:25 PST)
- amber-developers: final amber 9 snapshot delayed David A. Case (Tue Mar 21 2006 - 21:11:59 PST)
- amber-developers: Proposal: a firefox extension for amber8 html-based user manual Xuebin Qiao (Sun Mar 19 2006 - 06:44:44 PST)
- amber-developers: Problem with SHAKE when icfe != 0 Ilyas Yildirim (Thu Mar 16 2006 - 20:50:26 PST)
- amber-developers: test case failures David A. Case (Thu Mar 16 2006 - 17:18:51 PST)
- amber-developers: amber9 REMD bug Carlos Simmerling (Wed Mar 15 2006 - 14:13:35 PST)
- amber-developers: Problem in ptraj when using mmpbsa Ray Luo (Sun Mar 12 2006 - 19:57:52 PST)
- amber-developers: No DV/DL values at clambda=1 for vdW pert B. Lachele Foley (Fri Mar 10 2006 - 06:49:19 PST)
- amber-developers: [sbrozell.scripps.edu: pbsa undocumented maxarc] David A. Case (Thu Mar 09 2006 - 12:06:11 PST)
- amber-developers: pbsa undocumented maxarc (fwd) Scott Brozell (Thu Mar 09 2006 - 10:41:35 PST)
- amber-developers: [sbrozell.scripps.edu: pbsa: nsaa bug] David A. Case (Thu Mar 09 2006 - 10:39:20 PST)
- amber-developers: cap, igb=10 (or not) and charge perturbation B. Lachele Foley (Mon Mar 06 2006 - 08:56:06 PST)
- amber-developers: Typo: INSTALL Mengjuei Hsieh (Fri Mar 03 2006 - 17:43:10 PST)
- amber-developers: "near-final" version of the Users' Manual David A. Case (Fri Mar 03 2006 - 14:08:12 PST)
- amber-developers: Fwd: problems with parallel installation of Amber 9 B. Lachele Foley (Thu Mar 02 2006 - 10:10:41 PST)
- amber-developers: problems with parallel installation of Amber 9 David A. Case (Thu Mar 02 2006 - 09:51:13 PST)
- amber-developers: third snapshot of Amber 9 is now available David A. Case (Wed Feb 22 2006 - 18:47:37 PST)
- amber-developers: Work is needed on the Users' Manual! David A. Case (Mon Feb 13 2006 - 18:41:01 PST)
- amber-developers: AMBER Binary trajectory NetCDF Convention John Mongan (Thu Feb 09 2006 - 17:55:52 PST)
- amber-developers: pmemd functionality checkin Robert Duke (Thu Feb 09 2006 - 09:31:57 PST)
- amber-developers: ifort 9 - MKL 8 deathtrap Robert Duke (Thu Feb 09 2006 - 04:00:31 PST)
- amber-developers: reversing course on the bintraj option David A. Case (Tue Feb 07 2006 - 10:53:32 PST)
- amber-developers: compile problem Carlos Simmerling (Thu Feb 02 2006 - 12:45:37 PST)
- amber-developers: new Amber 9 Users' Manual wiki page David A. Case (Mon Jan 30 2006 - 11:39:08 PST)
- amber-developers: getting rid of old code David Case (Sat Jan 28 2006 - 23:12:05 PST)
- amber-developers: new sander executable naming scheme David A. Case (Wed Jan 25 2006 - 14:42:58 PST)
- Re: amber-developers: Compilation problem on SGI for second amber9 snapshot David Case (Mon Jan 23 2006 - 13:50:29 PST)
- amber-developers: Second amber9 snapshot is available David A. Case (Fri Jan 20 2006 - 18:49:41 PST)
- amber-developers: Fw: PMEMD 9 beta checkin Robert Duke (Thu Jan 19 2006 - 09:09:23 PST)
- amber-developers: new source code for pmemd David A. Case (Wed Jan 18 2006 - 12:34:57 PST)
- amber-developers: Re: egb.f - something that makes no sense... David A. Case (Fri Jan 06 2006 - 14:19:58 PST)
- amber-developers: some updates to the sander code David A. Case (Mon Dec 26 2005 - 12:54:32 PST)
- amber-developers: restrictions on CVS write access David A. Case (Mon Dec 26 2005 - 12:29:47 PST)
- amber-developers: new Amber Wiki David A. Case (Mon Dec 19 2005 - 18:36:25 PST)
- amber-developers: LFS Support John Mongan (Thu Dec 15 2005 - 16:16:55 PST)
- amber-developers: FYI: g95 on cygwin Mengjuei Hsieh (Thu Dec 15 2005 - 16:06:16 PST)
- amber-developers: Patch to the problem that interrupts make clean under src/ Mengjuei Hsieh (Tue Dec 13 2005 - 16:19:37 PST)
- amber-developers: elsize test case.... Ross Walker (Tue Dec 13 2005 - 08:55:35 PST)
- amber-developers: Patch to amber9/src for compatibility with Mac OS X 10.4+XLF90 Mengjuei Hsieh (Mon Dec 12 2005 - 17:00:09 PST)
- amber-developers: Latest update for pb in sander Ray Luo (Sat Dec 10 2005 - 14:52:50 PST)
- amber-developers: sander makefile Ray Luo (Thu Dec 08 2005 - 14:45:41 PST)
- amber-developers: Large File Support John Mongan (Sat Dec 03 2005 - 18:36:22 PST)
- Re: amber-developers: fortran95 help requested Michael Crowley (Fri Dec 02 2005 - 16:57:06 PST)
- amber-developers: Error in parallel installation of AMBER 9 Ilyas Yildirim (Mon Nov 28 2005 - 22:14:48 PST)
- amber-developers: Error while doing free energy calculation using AMBER 9 Ilyas Yildirim (Mon Nov 28 2005 - 22:05:20 PST)
- amber-developers: Amber9 feature freeze coming soon... David A. Case (Tue Nov 22 2005 - 21:13:57 PST)
- amber-developers: cvs Guanglei Cui (Mon Nov 21 2005 - 10:36:00 PST)
- amber-developers: Heating process in TI approach Ilyas Yildirim (Fri Nov 18 2005 - 20:34:00 PST)
- amber-developers: Self-guided Langevin dynamcs bug fix Wu, Xiongwu \(NIH/NHLBI\) [E] (Tue Nov 15 2005 - 12:00:36 PST)
- amber-developers: Re: Amber8 auto* integration progress report. Xuebin Qiao (Mon Nov 14 2005 - 06:43:56 PST)
- amber-developers: Excluded list ? Yong Duan (Thu Nov 10 2005 - 16:26:17 PST)
- amber-developers: gfortran and Amber 9 David A. Case (Wed Nov 09 2005 - 15:46:50 PST)
- amber-developers: Re: Amber8 auto* integration progress report. Xuebin Qiao (Wed Nov 09 2005 - 11:29:43 PST)
- amber-developers: sander REM tests Scott Brozell (Tue Nov 08 2005 - 18:38:08 PST)
- amber-developers: Compile AMBER9 on SGI Wu, Xiongwu \(NIH/NHLBI\) [E] (Tue Nov 08 2005 - 13:00:10 PST)
- amber-developers: igb=7 (GBn) John Mongan (Thu Nov 03 2005 - 18:07:41 PST)
- amber-developers: Binary trajectory files John Mongan (Thu Nov 03 2005 - 18:04:30 PST)
- amber-developers: Re: Amber8 auto* integration progress report. Xuebin Qiao (Thu Nov 03 2005 - 07:48:33 PST)
- amber-developers: Error message on AMBER9 compilation Ilyas Yildirim (Wed Nov 02 2005 - 17:19:16 PST)
- amber-developers: Amber8 auto* integration progress report. Xuebin Qiao (Wed Nov 02 2005 - 10:40:23 PST)
- amber-developers: Incompat. amber8 code failed in test when compiled with g95. Xuebin Qiao (Tue Nov 01 2005 - 08:52:04 PST)
- amber-developers: amber meeting photos Guanglei Cui (Mon Oct 31 2005 - 14:58:55 PST)
- amber-developers: Code freeze dates for Amber 9 David A. Case (Mon Oct 31 2005 - 09:37:34 PST)
- amber-developers: question about ALTCC? Xuebin Qiao (Thu Oct 27 2005 - 01:49:34 PDT)
- amber-developers: Autotool detection macro samples Xuebin Qiao (Sun Oct 23 2005 - 03:15:27 PDT)
- amber-developers: Leap Improper Torsion Problems. Ross Walker (Thu Oct 13 2005 - 10:28:02 PDT)
- amber-developers: evb based mixing Ilyas Yildirim (Thu Oct 06 2005 - 10:36:19 PDT)
- amber-developers: leap and frcmod Guanglei Cui (Fri Sep 23 2005 - 07:47:00 PDT)
- amber-developers: MKL 7.2.1 Ross Walker (Mon Sep 12 2005 - 21:38:26 PDT)
- amber-developers: help with 1-4 EEL calculations Guanglei Cui (Sun Sep 11 2005 - 16:55:05 PDT)
- Re: [Columbus-developers] Misc Fortran info. was Re: amber-developers: index command in sander? (fwd) Scott Brozell (Tue Sep 06 2005 - 15:00:05 PDT)
- amber-developers: Intel compiler Yong Duan (Wed Aug 31 2005 - 10:12:15 PDT)
- amber-developers: test - please ignore. Ross Walker (Fri Aug 19 2005 - 12:22:16 PDT)
- amber-developers: ifort v. 9 John Mongan (Mon Aug 08 2005 - 14:33:15 PDT)
- amber-developers: Naming scheme for the new Amber UA force field Ray Luo (Thu Jul 14 2005 - 12:26:31 PDT)
- amber-developers: Re: Questions on AMBER functionality David A. Case (Tue Jul 12 2005 - 18:06:27 PDT)
- amber-developers: Junmei weighs in on torsions David A. Case (Wed Jun 29 2005 - 17:07:30 PDT)
- amber-developers: new method for free energy calculations in Amber 9 David A. Case (Wed Jun 29 2005 - 13:44:37 PDT)
- amber-developers: some new parm.dat files to try David A. Case (Tue Jun 28 2005 - 20:35:04 PDT)
- amber-developers: Question concerning wildcards in dihedral definitions. Ross Walker (Tue Jun 28 2005 - 14:49:11 PDT)
- amber-developers: Apple's feed back for amber. Mengjuei Hsieh (Fri Jun 24 2005 - 00:00:13 PDT)
- amber-developers: weirdnesses in Langevin dynamics code David A. Case (Mon May 23 2005 - 17:06:14 PDT)
- amber-developers: amber9 xleap fedora core3 James W. Caldwell (Tue May 17 2005 - 08:59:57 PDT)
- amber-developers: g95 seg fault/amber9 current cvs Michael Crowley (Fri Apr 29 2005 - 12:55:15 PDT)
- amber-developers: index command in sander? Carlos Simmerling (Tue Apr 26 2005 - 14:32:43 PDT)
- amber-developers: Langevin dynamics and COM motion Wu, Xiongwu \(NIH/NHLBI\) (Tue Apr 26 2005 - 10:26:28 PDT)
- amber-developers: protocols for checking things in to the Amber 9 CVS tree David A. Case (Wed Apr 20 2005 - 16:28:21 PDT)
- amber-developers: The modification of amber9 sander/qm_mop/qm2_scf.f for g95 Mengjuei Hsieh (Tue Apr 19 2005 - 18:10:00 PDT)
- amber-developers: cvs amber9 Michael Crowley (Sat Apr 16 2005 - 22:30:47 PDT)
- amber-developers: LCPO coefficient Guanglei Cui (Sat Apr 16 2005 - 12:01:53 PDT)
- amber-developers: current amber9 cvs code Michael Crowley (Sat Apr 16 2005 - 09:26:12 PDT)
- amber-developers: isotropic periodic sums now in Amber 9 David A. Case (Fri Apr 15 2005 - 10:37:36 PDT)
- amber-developers: new "test failures" page on the wiki David A. Case (Wed Apr 06 2005 - 10:04:27 PDT)
- amber-developers: some ideas about multisander David A. Case (Thu Mar 31 2005 - 14:46:29 PST)
- amber-developers: new makefiles Michael Crowley (Wed Mar 09 2005 - 16:56:35 PST)
- amber-developers: 500th Amber order has been processed David A. Case (Tue Feb 08 2005 - 09:21:22 PST)
- amber-developers: Amber8 on opteron ? Yong Duan (Mon Dec 27 2004 - 10:03:10 PST)
- amber-developers: amber-developers.scripps.edu Ross Walker (Sun Oct 31 2004 - 15:05:36 PST)
- amber-developers: Problems with restrts and igb>0 Ross Walker (Sat Oct 30 2004 - 19:40:06 PDT)
- amber-developers: code problem, anybody know about this one? Michael Crowley (Fri Oct 29 2004 - 12:39:00 PDT)
- amber-developers: [lusk.mcs.anl.gov: new release of MPICH2] David A. Case (Fri Sep 17 2004 - 09:31:07 PDT)
- amber-developers: g95 build of Amber9 sander Scott Brozell (Thu Sep 02 2004 - 13:34:32 PDT)
- amber-developers: Followup on LEaP issues Thomas E. Cheatham, III (Tue Jul 13 2004 - 10:45:52 PDT)
- amber-developers: LYN is absent in ff03 Yong Duan (Thu Jun 24 2004 - 08:23:30 PDT)
- amber-developers: Altivec wrapper for PMEMD Mengjuei Hsieh (Tue Jun 15 2004 - 01:40:55 PDT)
- amber-developers: more on linear angles. James W. Caldwell (Mon Jun 14 2004 - 17:03:26 PDT)
- amber-developers: 180 degree "angles" James W. Caldwell (Mon Jun 14 2004 - 15:49:08 PDT)
- amber-developers: Minor changes in leaprc.ff03 Yong Duan (Tue Jun 01 2004 - 12:39:10 PDT)
- amber-developers: AMBER 4.1 manual? Yong Duan (Wed May 19 2004 - 11:38:54 PDT)
- amber-developers: save secondary restart Guanglei Cui (Mon May 17 2004 - 08:31:11 PDT)
- amber-developers: subscribers Scott Brozell (Tue May 11 2004 - 15:15:42 PDT)
- amber-developers: Re: AMBER: PMEMD Built ? Wont run.. Scott Brozell (Tue May 11 2004 - 15:00:22 PDT)
- amber-developers: UNC JAC benchmark? Carlos Simmerling (Tue Apr 27 2004 - 14:24:46 PDT)
- amber-developers: AMBER-DEV: partition error in shake (fwd) Scott Brozell (Fri Apr 23 2004 - 12:58:48 PDT)
- amber-developers: fortran 90/95 question James W. Caldwell (Tue Mar 30 2004 - 10:45:16 PST)
- amber-developers: Configure script for MacOS X with IBM XLF/XLC MengJuei Hsieh (Wed Mar 17 2004 - 17:07:16 PST)
- amber-developers: REM and PME Carlos Simmerling (Mon Mar 08 2004 - 14:24:35 PST)
- amber-developers: Draft of Amber8 webpage. Ross Walker (Mon Mar 08 2004 - 13:45:09 PST)
- amber-developers: draft of the Amber 8 web page David A. Case (Mon Mar 08 2004 - 11:47:31 PST)
- amber-developers: improper dihedrals Guanglei Cui (Tue Feb 24 2004 - 14:07:15 PST)
- amber-developers: retired namelist vars Scott Brozell (Fri Feb 13 2004 - 16:29:10 PST)
- amber-developers: pmemd.src vs. src/pmemd James W. Caldwell (Wed Dec 17 2003 - 14:28:22 PST)
- amber-developers: code freeze; picture needed David A. Case (Tue Dec 16 2003 - 14:18:06 PST)
- amber-developers: Amber8 Replica Exchange James W. Caldwell (Fri Dec 05 2003 - 13:54:26 PST)
- amber-developers: rename of benchmark David A. Case (Fri Nov 14 2003 - 13:06:20 PST)
- amber-developers: updated "to-do" list for amber8 David A. Case (Thu Nov 13 2003 - 16:30:54 PST)
- amber-developers: Re: Ff02 pol David A. Case (Mon Nov 10 2003 - 16:21:18 PST)
- amber-developers: dates for the next amber meeting? David A. Case (Thu Nov 06 2003 - 17:40:33 PST)
- amber-developers: Re: AMBER: "average" command in ptraj David A. Case (Mon Apr 10 2006 - 12:03:08 PDT)
- amber-developers: GOTO libraries Adrian Roitberg (Tue Apr 11 2006 - 14:04:06 PDT)
- amber-developers: Amber/APBS module outline Robert Konecny (Tue Apr 11 2006 - 15:38:31 PDT)
- amber-developers: coding rules for Amber 10 David A. Case (Tue Apr 11 2006 - 16:38:55 PDT)
- amber-developers: updating the Amber 9 testing wiki page David A. Case (Wed Apr 12 2006 - 10:42:59 PDT)
- amber-developers: C2 is sp3 or sp2? Yong Duan (Mon Apr 17 2006 - 09:39:41 PDT)
- Re: amber-developers: AMBER 9 Problems on IRIX and ALTIX Ray Luo (Sun Apr 30 2006 - 13:10:07 PDT)
- amber-developers: FW: benchmark of Amber 9 on shiraz Yong Duan (Wed May 03 2006 - 10:43:41 PDT)
- amber-developers: Troubles at PSC Robert Duke (Thu May 04 2006 - 11:31:52 PDT)
- amber-developers: Re: AMBER: xleap on iMac G5 David A. Case (Sat May 06 2006 - 14:07:26 PDT)
- amber-developers: amber9 users and manuals David A. Case (Mon May 08 2006 - 16:56:41 PDT)
- amber-developers: pb code error Michael Crowley (Wed May 10 2006 - 00:38:26 PDT)
- amber-developers: proposed change in solvents.cmd and solvents.lib David A. Case (Wed May 10 2006 - 15:45:22 PDT)
- amber-developers: Trouble at PSC - resolved Robert Duke (Fri May 12 2006 - 08:12:40 PDT)
- amber-developers: Re: AMBER: RE: trouble stripping waters with ptraj David A. Case (Sat May 20 2006 - 12:45:48 PDT)
- amber-developers: Trouble at PSC continues... Robert Duke (Tue May 23 2006 - 08:53:49 PDT)
- amber-developers: The 2006 Amber developers' meeting David A. Case (Thu May 25 2006 - 14:38:58 PDT)
- amber-developers: About amber8 help for mozilla-based browser. Xuebin Qiao (Fri May 26 2006 - 08:09:42 PDT)
- amber-developers: followup on the frcmod.ff03 bug David A. Case (Fri Jun 02 2006 - 09:51:42 PDT)
- amber-developers: Amber9 + Sun? Gustavo Seabra (Fri Jun 02 2006 - 12:28:39 PDT)
- amber-developers: AMBER 9 in a single CPU Ilyas Yildirim (Fri Jun 09 2006 - 19:27:52 PDT)
- amber-developers: NSF Petascale RFP - Some amuzing points. Ross Walker (Sun Jun 18 2006 - 21:22:37 PDT)
- amber-developers: 200th Amber 9 order has been processed David A. Case (Thu Jun 22 2006 - 14:09:47 PDT)
- amber-developers: ions Yong Duan (Sat Jul 29 2006 - 17:54:24 PDT)
- amber-developers: Re: AMBER: Amber Installation Help; link woes David A. Case (Tue Aug 08 2006 - 13:01:40 PDT)
- amber-developers: call nxtsec and read(nf,fmt) Ilyas Yildirim (Fri Aug 11 2006 - 14:56:41 PDT)
- amber-developers: Amber 9 compilation error with ifort9.1 on Itanium2 Ray Luo (Fri Aug 11 2006 - 17:03:12 PDT)
- amber-developers: [Fwd: imposing bond/angle/dih in amber] Piotr Cieplak (Fri Aug 11 2006 - 17:23:53 PDT)
- amber-developers: a note about the amber9 CVS tree David A. Case (Wed Aug 16 2006 - 16:05:05 PDT)
- amber-developers: antechamber related change in amber10 CVS David A. Case (Fri Aug 18 2006 - 14:50:02 PDT)
- amber-developers: PdbWriteRadii Ilyas Yildirim (Sun Aug 20 2006 - 02:05:17 PDT)
- amber-developers: bugfixes 12, 14 and 15 Scott Brozell (Thu Aug 24 2006 - 22:51:54 PDT)
- amber-developers: [sbrozell.scripps.edu: Re: AMBER: Installation amber 9 on IBM SP4] David A. Case (Fri Aug 25 2006 - 08:14:37 PDT)
- amber-developers: [sbrozell.scripps.edu: Re: AMBER: Installation amber 9 on IBM SP4] David A. Case (Fri Aug 25 2006 - 08:17:27 PDT)
- amber-developers: Implicit Solvent and dummy atoms Ilyas Yildirim (Thu Aug 31 2006 - 15:38:10 PDT)
- amber-developers: new buglist page for Amber David A. Case (Tue Sep 05 2006 - 19:15:33 PDT)
- amber-developers: I can't access email, please call me at 845-433-8426 if need! Ruzhu Chen (Wed Sep 06 2006 - 18:32:54 PDT)
- amber-developers: Name of Atom Types with more than 2 characters Mengjuei Hsieh (Thu Sep 07 2006 - 09:34:13 PDT)
- amber-developers: Sanibel meeting plus bug-list David A. Case (Wed Sep 13 2006 - 23:23:06 PDT)
- amber-developers: more on Sanibel (re: previous message) David A. Case (Wed Sep 13 2006 - 23:29:02 PDT)
- amber-developers: mm_pbsa tests Scott Brozell (Tue Oct 03 2006 - 17:16:18 PDT)
- amber-developers: loadlib and mpi in configure script Ross Walker (Wed Oct 04 2006 - 15:55:20 PDT)
- amber-developers: evbout file in parallel Ross Walker (Wed Oct 04 2006 - 16:16:24 PDT)
- amber-developers: configure script. Ross Walker (Thu Oct 05 2006 - 09:43:04 PDT)
- amber-developers: sander cvs build broken! Gustavo Seabra (Wed Oct 11 2006 - 16:12:07 PDT)
- amber-developers: Problems with amber / MPI Gustavo Seabra (Thu Oct 12 2006 - 10:06:33 PDT)
- amber-developers: Current CVS Tests Status Ross Walker (Thu Oct 12 2006 - 12:22:49 PDT)
- amber-developers: Parallel Problems... Ross Walker (Thu Oct 12 2006 - 14:29:21 PDT)
- amber-developers: recent local code changes to sander David Case (Thu Oct 12 2006 - 14:43:27 PDT)
- amber-developers: Parallel runs fixed. Ross Walker (Thu Oct 12 2006 - 17:46:17 PDT)
- amber-developers: MPI 2 for Amber 10? Ross Walker (Mon Oct 16 2006 - 20:11:57 PDT)
- amber-developers: RE: AMBER: Amber9 serial installation -tests- severe (174): SIGSEGV, segmentation fault occurred Ross Walker (Thu Oct 19 2006 - 18:46:35 PDT)
- amber-developers: optimization references Scott Brozell (Fri Oct 20 2006 - 03:47:55 PDT)
- amber-developers: interfaces references Scott Brozell (Fri Oct 20 2006 - 14:57:55 PDT)
- amber-developers: C89 proposal Scott Brozell (Sun Oct 22 2006 - 23:01:38 PDT)
- amber-developers: CVS TREE HOSED...!!! Ross Walker (Wed Oct 25 2006 - 21:48:25 PDT)
- amber-developers: reminder about the bug-list wiki page David A. Case (Wed Nov 01 2006 - 13:54:27 PST)
- amber-developers: [amber9] Bug on reading unformatted inpcrd file to restart Mengjuei Hsieh (Tue Nov 07 2006 - 19:00:41 PST)
- amber-developers: Problem with the ff03ua force field Mengjuei Hsieh (Tue Nov 14 2006 - 11:39:18 PST)
- amber-developers: The UA radii revision to leap Mengjuei Hsieh (Tue Nov 14 2006 - 11:54:24 PST)
- amber-developers: amber10 code broken in qm2_dftb_gb.f David A. Case (Wed Nov 22 2006 - 10:57:21 PST)
- amber-developers: tutorial morass Scott Brozell (Tue Nov 28 2006 - 19:34:00 PST)
- amber-developers: 400 Amber licenses have been shipped David A. Case (Wed Nov 29 2006 - 14:07:33 PST)
- amber-developers: linux fortran underscoring reference Scott Brozell (Fri Dec 01 2006 - 13:58:04 PST)
- amber-developers: some new amber10 source directories David A. Case (Mon Dec 04 2006 - 09:09:13 PST)
- amber-developers: Amber + DFTB at dftb.org Gustavo Seabra (Wed Dec 06 2006 - 10:55:24 PST)
- amber-developers: Imin=5 and inptraj Mengjuei Hsieh (Fri Dec 08 2006 - 11:29:48 PST)
- amber-developers: formatting problem in amber David A. Case (Tue Dec 12 2006 - 09:34:21 PST)
- amber-developers: How to compute H2O:H2O nonbonded forces 80% faster than PMEMD9 David Cerutti (Wed Dec 13 2006 - 14:43:29 PST)
- amber-developers: Possible patch to enable $AMBERHOME/src/configure to check/test for the presence of X11 libs Mark Williamson (Sat Jan 06 2007 - 01:30:17 PST)
- amber-developers: new pmemd allowed combination Lachele Foley (Wed Jan 10 2007 - 06:54:05 PST)
- amber-developers: some citation information David A. Case (Mon Jan 22 2007 - 10:11:33 PST)
- amber-developers: ptraj precision Carlos Simmerling (Mon Feb 05 2007 - 14:18:20 PST)
- amber-developers: OWFEG Adrian Roitberg (Tue Feb 06 2007 - 08:30:31 PST)
- amber-developers: amber performance Scott Brozell (Wed Feb 28 2007 - 14:24:00 PST)
- amber-developers: AMBER Manual and Code Documentation Martin Peters (Wed Feb 28 2007 - 14:57:03 PST)
- amber-developers: Pics from the Amber meeting... Ross Walker (Wed Feb 28 2007 - 21:02:13 PST)
- amber-developers: We have passed 500 orders for Amber 9 David A. Case (Thu Mar 01 2007 - 12:46:17 PST)
- amber-developers: What happened to sander's '-y' option? Gustavo Seabra (Thu Mar 01 2007 - 15:02:10 PST)
- amber-developers: -y option in sander David A. Case (Mon Mar 05 2007 - 12:10:53 PST)
- amber-developers: Running sander: double input parameters Ilyas Yildirim (Mon Mar 05 2007 - 13:01:01 PST)
- amber-developers: dcqtp committing Scott Brozell (Tue Mar 06 2007 - 13:42:20 PST)
- amber-developers: 'MPI_BCAST : Message truncated' error Ilyas Yildirim (Tue Mar 06 2007 - 14:16:19 PST)
- amber-developers: Problems compiling Amber 10 Gustavo Seabra (Wed Mar 14 2007 - 13:44:29 PDT)
- amber-developers: extra points work Robert Duke (Thu Mar 22 2007 - 15:11:13 PDT)
- amber-developers: rna pdb atom map questions Scott Brozell (Thu Mar 22 2007 - 19:36:50 PDT)
- amber-developers: Problem in xleap Ilyas Yildirim (Wed Mar 28 2007 - 16:57:25 PDT)
- amber-developers: leap parm and frcmod Scott Brozell (Thu Mar 29 2007 - 10:00:02 PDT)
- amber-developers: antechamber pdb format Scott Brozell (Thu Mar 29 2007 - 10:07:22 PDT)
- amber-developers: actively working on antechamber... Scott Brozell (Thu Mar 29 2007 - 20:54:44 PDT)
- amber-developers: leaprc questions Scott Brozell (Sat Mar 31 2007 - 12:44:10 PDT)
- amber-developers: Fwd: Monthly web reminder. Ken Merz (Tue Apr 03 2007 - 06:02:28 PDT)
- amber-developers: Gfortran 4.1.2 works with AMBER-9 Mark Williamson (Wed Apr 11 2007 - 10:06:53 PDT)
- amber-developers: Strange difference in parm94.dat between Amber 8 and 9 Mark Williamson (Thu Apr 12 2007 - 05:47:24 PDT)
- amber-developers: please start testing sleap Wei Zhang (Mon Apr 16 2007 - 10:07:49 PDT)
- amber-developers: vlim errors with TIP4P-ew? Carlos Simmerling (Mon Apr 16 2007 - 15:05:19 PDT)
- amber-developers: problem with dcqtp compilation David A. Case (Mon Apr 16 2007 - 15:33:09 PDT)
- amber-developers: modified TIP3P water models in Amber David A. Case (Mon Apr 16 2007 - 16:07:55 PDT)
- amber-developers: experience with sleap David A. Case (Mon Apr 16 2007 - 17:04:52 PDT)
- amber-developers: more on sleap David A. Case (Tue Apr 17 2007 - 17:22:57 PDT)
- amber-developers: more comments on sleap David A. Case (Thu Apr 19 2007 - 10:10:02 PDT)
- amber-developers: pmemd with extra points, early release code ready Robert Duke (Fri Apr 20 2007 - 13:47:52 PDT)
- amber-developers: Plan B Robert Duke (Fri Apr 20 2007 - 14:15:34 PDT)
- amber-developers: State of NEB in AMBER10? Ross Walker (Mon Apr 23 2007 - 20:15:07 PDT)
- amber-developers: problems with divcon in amber10 David A. Case (Tue Apr 24 2007 - 16:18:36 PDT)
- amber-developers: PMEMD with extra pnts, Jarzynski Relation support Robert Duke (Thu Apr 26 2007 - 10:20:38 PDT)
- amber-developers: Paper on improving Gromacs scaling on ethernet. Ross Walker (Thu Apr 26 2007 - 13:54:32 PDT)
- amber-developers: State of PIMD / NEB test cases. Ross Walker (Fri Apr 27 2007 - 21:06:14 PDT)
- amber-developers: NEB is busted with ncpu /= nreplica (flaws in the parallel test cases) Ross Walker (Mon Apr 30 2007 - 13:53:51 PDT)
- amber-developers: Issues when using a binpos trajectory as a reference in Ptraj's rms function Mark Williamson (Mon Apr 30 2007 - 16:36:41 PDT)
- amber-developers: Amber test case updates Ross Walker (Wed May 09 2007 - 12:33:02 PDT)
- amber-developers: Wiki discussion page for amber_tools David A. Case (Wed May 16 2007 - 17:07:55 PDT)
- amber-developers: Re: rms Thomas Cheatham III (Tue Jun 12 2007 - 12:56:29 PDT)
- amber-developers: Moving towards "amber-tools", major changes in the amber10 CVS tree David A. Case (Sun Jun 17 2007 - 17:23:42 PDT)
- amber-developers: one more (short!) note about the amber10 updates David A. Case (Sun Jun 17 2007 - 17:37:19 PDT)
- amber-developers: sander extra.h will be eliminated Scott Brozell (Wed Jul 11 2007 - 13:17:05 PDT)
- amber-developers: PIMD, NEB, LES - request for code inspection and tests Scott Brozell (Fri Jul 20 2007 - 15:18:46 PDT)
- Re: amber-developers: PIMD, NEB, LES - request for code inspection and tests Carlos Simmerling (Fri Jul 20 2007 - 15:28:16 PDT)
- Re: amber-developers: PIMD, NEB, LES - request for code inspection and tests Kim F. Wong (Fri Jul 20 2007 - 15:58:17 PDT)
- Re: amber-developers: PIMD, NEB, LES - request for code inspection and tests David A. Case (Fri Jul 20 2007 - 17:11:19 PDT)
- Re: amber-developers: PIMD, NEB, LES - request for code inspection and tests Carlos Simmerling (Tue Jul 24 2007 - 06:38:49 PDT)
- Re: amber-developers: PIMD, NEB, LES - request for code inspection and tests Wei Zhang (Tue Jul 24 2007 - 08:29:19 PDT)
- Re: amber-developers: PIMD, NEB, LES - request for code inspection and tests David A. Case (Tue Jul 24 2007 - 08:34:43 PDT)
- Re: amber-developers: PIMD, NEB, LES - request for code inspection and tests Wei Zhang (Tue Jul 24 2007 - 08:42:17 PDT)
- Re: amber-developers: PIMD, NEB, LES - request for code inspection and tests Francesco Paesani (Tue Jul 24 2007 - 09:46:31 PDT)
- RE: amber-developers: PIMD, NEB, LES - request for code inspection and tests Ross Walker (Tue Jul 24 2007 - 08:31:31 PDT)
- Re: amber-developers: PIMD, NEB, LES - request for code inspection and tests Wei Zhang (Tue Jul 24 2007 - 08:56:53 PDT)
- Re: amber-developers: PIMD, NEB, LES - request for code inspection and tests Carlos Simmerling (Tue Jul 24 2007 - 09:10:57 PDT)
- Re: amber-developers: PIMD, NEB, LES - request for code inspection and tests David A. Case (Tue Jul 24 2007 - 08:49:59 PDT)
- Re: amber-developers: PIMD, NEB, LES - request for code inspection and tests Kim F. Wong (Tue Jul 24 2007 - 09:03:05 PDT)
- amber-developers: Truncated Octahedron box volume (fwd) Ilyas Yildirim (Mon Jul 23 2007 - 13:19:00 PDT)
- amber-developers: change in amber10 CVS tree David A. Case (Thu Aug 02 2007 - 09:12:14 PDT)
- amber-developers: OSX: cvs tree filename problems (gleap) Ross Walker (Tue Aug 07 2007 - 22:05:20 PDT)
- amber-developers: Problem with REMD/GB/RESPA Holger Gohlke (Thu Aug 23 2007 - 00:00:42 PDT)
- amber-developers: some changes in amber10 configuration David A. Case (Tue Sep 04 2007 - 16:41:04 PDT)
- amber-developers: neb test case Carlos Simmerling (Thu Sep 06 2007 - 13:23:16 PDT)
- amber-developers: SHAKE and Thermodynamic Integration Ilyas Yildirim (Fri Sep 14 2007 - 19:41:31 PDT)
- amber-developers: About calculating the minimum imaged distance Jun Wang (Mon Sep 17 2007 - 18:46:30 PDT)
- amber-developers: Imaged distance in the case of truncated octahedron box Jun Wang (Wed Sep 19 2007 - 12:45:52 PDT)
- amber-developers: PTRAJ and principal Ilyas Yildirim (Thu Sep 20 2007 - 09:42:30 PDT)
- amber-developers: problems with evb_io_debug Carlos Simmerling (Tue Sep 25 2007 - 11:18:05 PDT)
- amber-developers: bluegene... Ross Walker (Tue Sep 25 2007 - 13:50:57 PDT)
- amber-developers: First Amber10 code submission deadline David A. Case (Wed Sep 26 2007 - 08:41:44 PDT)
- amber-developers: MM-PBSA patch Robert Konecny (Wed Sep 26 2007 - 11:21:58 PDT)
- amber-developers: psander status and future? Carlos Simmerling (Wed Oct 03 2007 - 10:21:53 PDT)
- amber-developers: Updated prmtop documentation. Ross Walker (Wed Oct 03 2007 - 10:35:57 PDT)
- amber-developers: xray: new wrinkle on neb/pimd/les old creased face Scott Brozell (Thu Oct 18 2007 - 17:42:40 PDT)
- amber-developers: sander xref Scott Brozell (Fri Oct 19 2007 - 10:54:44 PDT)
- amber-developers: gleap/sleap issues Mengjuei Hsieh (Wed Oct 24 2007 - 12:46:59 PDT)
- amber-developers: CVS accounts Michael Crowley (Wed Oct 31 2007 - 21:30:59 PDT)
- amber-developers: change in CVS David A. Case (Thu Nov 01 2007 - 07:43:35 PDT)
- Re: amber-developers: Osx problem with gleap file names Gustavo Seabra (Wed Nov 07 2007 - 12:36:34 PST)
- Re: amber-developers: Qmmm test failure Scott Brozell (Wed Nov 07 2007 - 12:34:31 PST)
- Re: amber-developers: DISANG reading David A. Case (Wed Nov 07 2007 - 13:19:57 PST)
- RE: amber-developers: Qmmm test failure Ross Walker (Wed Nov 07 2007 - 13:25:55 PST)
- Re: amber-developers: Short_ene/clambda steinbrt.scripps.edu (Thu Nov 08 2007 - 00:39:41 PST)
- amber-developers: Questions about implementing the Thole model Jun Wang (Wed Nov 14 2007 - 10:01:38 PST)
- amber-developers: New Comp Chem positions at UC-IRVINE Ray Luo (Wed Nov 14 2007 - 16:49:30 PST)
- amber-developers: LES-style NEB to be kept? Carlos Simmerling (Wed Nov 14 2007 - 17:23:03 PST)
- amber-developers: Question regarding use of mexit() Daniel R. Roe (Fri Nov 16 2007 - 13:50:02 PST)
- amber-developers: Amber Bugzilla Scott Brozell (Fri Nov 16 2007 - 23:30:13 PST)
- amber-developers: A bug in "do_14_dipole" Jun Wang (Mon Nov 19 2007 - 17:05:08 PST)
- amber-developers: Problems with bugfix 40 Gustavo Seabra (Tue Dec 04 2007 - 10:02:20 PST)
- amber-developers: Fw: How many atoms? Robert Duke (Tue Dec 04 2007 - 11:14:29 PST)
- amber-developers: Re: montana hippies Crowley, Michael (Wed Dec 05 2007 - 13:22:13 PST)
- amber-developers: Some comments on amber10 documentation David A. Case (Fri Dec 07 2007 - 11:58:34 PST)
- amber-developers: Re: AMBER: website problems Thomas Cheatham (Sun Dec 09 2007 - 09:31:19 PST)
- amber-developers: Ifort problems with ncsu_cftree Ross Walker (Wed Dec 12 2007 - 13:43:32 PST)
- amber-developers: Help on understanding the parameters used in the source code Ilyas Yildirim (Thu Dec 13 2007 - 18:06:08 PST)
- amber-developers: To tom and bob Yong Duan (Wed Dec 19 2007 - 09:41:17 PST)
- Re: amber-developers: Remd breaks serial compile Carlos Simmerling (Fri Dec 21 2007 - 06:52:27 PST)
- amber-developers: MKL 10.1 and openMP Ross Walker (Fri Dec 21 2007 - 09:27:07 PST)
- amber-developers: current status of ncsu and rem code David A. Case (Fri Dec 21 2007 - 10:17:34 PST)
- amber-developers: Broken TI Test cases (icfe=2) Daniel R. Roe (Fri Dec 21 2007 - 13:09:49 PST)
- Re: amber-developers: Plane-plane test parallel Daniel R. Roe (Wed Dec 26 2007 - 17:13:24 PST)
- amber-developers: [Bug 14] many "failure to converge" messages on cygwin/g95 with qmmm2 amber-bugzilla-daemon.coffee.sdsc.edu (Thu Dec 27 2007 - 14:32:17 PST)
- amber-developers: [Bug 14] many "failure to converge" messages on cygwin/g95 with qmmm2 amber-bugzilla-daemon.coffee.sdsc.edu (Thu Dec 27 2007 - 14:33:27 PST)
- amber-developers: Change in Amber documentation David A. Case (Mon Dec 31 2007 - 13:13:50 PST)
- amber-developers: yet more changes to Amber 10 documentation David A. Case (Sun Jan 06 2008 - 13:49:17 PST)
- amber-developers: energy conservation Jun Wang (Mon Jan 14 2008 - 18:03:05 PST)
- amber-developers: [Bug 11] Failure of test case plane_plane_restraint - Run.dinuc_plpt amber-bugzilla-daemon.coffee.sdsc.edu (Tue Jan 15 2008 - 14:59:41 PST)
- amber-developers: [Bug 11] Failure of test case plane_plane_restraint - Run.dinuc_plpt amber-bugzilla-daemon.coffee.sdsc.edu (Thu Jan 24 2008 - 14:33:16 PST)
- amber-developers: charges in mol2 versus prmtop Carlos P. Sosa (Fri Jan 25 2008 - 13:56:12 PST)
- amber-developers: Cover art competition for Amber 10 David A. Case (Fri Jan 25 2008 - 18:00:38 PST)
- amber-developers: please proofread and update the Amber 10 documentation David A. Case (Sat Feb 02 2008 - 21:27:54 PST)
- amber-developers: more freezing of the Amber10 CVS tree David Case (Fri Feb 15 2008 - 18:05:09 PST)
- amber-developers: [Bug 12] Failure of 4096wat - Run. pure_wat_nmr_temp_reg test case in parallel amber-bugzilla-daemon.coffee.sdsc.edu (Thu Feb 21 2008 - 07:09:23 PST)
- amber-developers: still looking for a cover illustration David A. Case (Fri Feb 22 2008 - 10:58:56 PST)
- amber-developers: [Bug 12] Failure of 4096wat - Run. pure_wat_nmr_temp_reg test case in parallel amber-bugzilla-daemon.coffee.sdsc.edu (Sat Feb 23 2008 - 00:01:17 PST)
- amber-developers: [Bug 12] Failure of 4096wat - Run. pure_wat_nmr_temp_reg test case in parallel amber-bugzilla-daemon.coffee.sdsc.edu (Tue Feb 26 2008 - 09:07:31 PST)
- amber-developers: Re: amber10 test failures with g95/x86_64 David A. Case (Wed Feb 27 2008 - 13:59:15 PST)
- amber-developers: Deadlines for Amber10 David A. Case (Mon Mar 03 2008 - 10:15:10 PST)
- amber-developers: gleap on Mac OS X Mengjuei Hsieh (Fri Mar 07 2008 - 11:16:43 PST)
- amber-developers: ffts Carlos Simmerling (Fri Mar 07 2008 - 13:34:57 PST)
- amber-developers: pbsa tests fail on pbsa_decpw Mengjuei Hsieh (Tue Mar 11 2008 - 03:23:26 PDT)
- amber-developers: further restrictions on CVS commits for Amber10 David A. Case (Wed Mar 12 2008 - 22:49:56 PDT)
- amber-developers: FF03 Charge problems in lib files? Ross Walker (Fri Mar 14 2008 - 10:08:51 PDT)
- amber-developers: Typo in all_nuc94.in Ross Walker (Fri Mar 14 2008 - 10:11:39 PDT)
- amber-developers: c60 test case Mengjuei Hsieh (Tue Mar 18 2008 - 12:34:12 PDT)
- amber-developers: Prep files Ross Walker (Thu Mar 20 2008 - 08:24:55 PDT)
- amber-developers: AmberTools version 1.0, and Amber10 release candidates David A. Case (Thu Mar 20 2008 - 12:42:47 PDT)
- amber-developers: known problems with the 20mar08 tarballs David Case (Fri Mar 21 2008 - 13:01:13 PDT)
- amber-developers: Build broke? Robert Duke (Mon Mar 24 2008 - 14:01:02 PDT)
- amber-developers: new release candidate for AmberTools David A. Case (Tue Mar 25 2008 - 09:43:46 PDT)
- amber-developers: Re: AmberTools.24mar08.tar update David A. Case (Tue Mar 25 2008 - 11:00:34 PDT)
- amber-developers: Re: AmberTools.24mar08.tar update Andreas Svrcek-Seiler (Wed Mar 26 2008 - 02:41:36 PDT)
- amber-developers: Final, final(!?!) deadline for AmberTools, version 1.0 David A. Case (Wed Mar 26 2008 - 12:13:19 PDT)
- amber-developers: latest tarballs for AmberTools and Amber10 David A. Case (Thu Mar 27 2008 - 11:01:31 PDT)
- amber-developers: yet closer for AmberTools David A. Case (Mon Mar 31 2008 - 18:40:48 PDT)
- amber-developers: April Fool's edition of Amber10 David Case (Tue Apr 01 2008 - 17:53:57 PDT)
- amber-developers: unformatted restart files David A. Case (Wed Apr 02 2008 - 12:32:05 PDT)
- amber-developers: notes on Amber 10 David A. Case (Fri Apr 04 2008 - 14:59:52 PDT)
- amber-developers: [Bug 36] Compilation problems on IBM AIX (sander with dcqtp) amber-bugzilla-daemon.coffee.sdsc.edu (Fri Apr 11 2008 - 13:37:32 PDT)
- amber-developers: [Bug 36] Compilation problems on IBM AIX (sander with dcqtp) amber-bugzilla-daemon.coffee.sdsc.edu (Fri Apr 11 2008 - 16:59:25 PDT)
- amber-developers: [Bug 36] Compilation problems on IBM AIX (sander with dcqtp) amber-bugzilla-daemon.coffee.sdsc.edu (Fri Apr 11 2008 - 17:27:14 PDT)
- amber-developers: AIX test case failures Ross Walker (Fri Apr 11 2008 - 17:32:23 PDT)
- Re: amber-developers: Testing Parallel David A. Case (Mon Apr 14 2008 - 10:13:27 PDT)
- amber-developers: problems with NCSU in amber10 Carlos Simmerling (Mon Apr 14 2008 - 10:15:35 PDT)
- amber-developers: amber11 CVS is now open David A. Case (Wed Apr 16 2008 - 10:56:42 PDT)
- amber-developers: REMD and PTRAJ manuals Gustavo Seabra (Mon Apr 21 2008 - 07:17:06 PDT)
- amber-developers: Testing Amber Tools Gustavo Seabra (Tue Apr 29 2008 - 11:58:18 PDT)
- amber-developers: DFTB file CM3_PARAMETERS.DAT? David A. Case (Thu May 01 2008 - 13:12:01 PDT)
- amber-developers: restricting amber email to text-only? David A. Case (Fri May 02 2008 - 12:38:21 PDT)
- amber-developers: Verlet update time and ntt=3 parallel scaling Carlos Simmerling (Tue May 06 2008 - 14:27:22 PDT)
- amber-developers: Re: Fwd: AMBER: GBSA SA calculation David A. Case (Wed May 14 2008 - 12:11:46 PDT)
- amber-developers: 100 Amber10 orders (+ 716 unique AmberTools downloads) David A. Case (Sat May 17 2008 - 07:53:49 PDT)
- amber-developers: heads up on ambpdb in amber11 David A. Case (Sat May 17 2008 - 22:26:31 PDT)
- amber-developers: pressure code Thomas Cheatham III (Tue May 27 2008 - 12:17:53 PDT)
- amber-developers: Version 1.1 of AmberTools(?) David A. Case (Fri May 30 2008 - 08:34:35 PDT)
- amber-developers: Getting ready for version 1.1 of AmberTools David A. Case (Fri Jun 13 2008 - 11:02:13 PDT)
- amber-developers: Patch for REMD bug with nmropt>0 Daniel Roe (Wed Jun 18 2008 - 12:56:44 PDT)
- amber-developers: first draft version of AmberTools 1.1 David A. Case (Fri Jun 20 2008 - 08:56:24 PDT)
- amber-developers: force field information in topology files Junmei Wang (Tue Jun 24 2008 - 18:54:20 PDT)
- amber-developers: second draft release for AmberTools1.1 David A. Case (Wed Jun 25 2008 - 16:23:50 PDT)
- amber-developers: 200 Amber10 orders in David A. Case (Thu Jun 26 2008 - 17:19:08 PDT)
- amber-developers: fillratio Adrian Roitberg (Mon Jun 30 2008 - 14:18:26 PDT)
- amber-developers: third (and final?) candidate for AmberTools version 1.1 David A. Case (Tue Jul 01 2008 - 12:11:06 PDT)
- amber-developers: ambpdb Junmei Wang (Tue Jul 01 2008 - 14:53:15 PDT)
- amber-developers: multiple targeted MD in amber11 David Mathews (Thu Jul 03 2008 - 08:24:12 PDT)
- amber-developers: compile amber10 on mac Junmei Wang (Mon Jul 07 2008 - 16:31:54 PDT)
- amber-developers: CVS freeze prior to AmberTools1.1 David A. Case (Mon Jul 07 2008 - 17:40:16 PDT)
- amber-developers: Serious problems with Antechamber runs due to faulty Mopac in AmberTools? Ross Walker (Thu Jul 10 2008 - 20:40:14 PDT)
- amber-developers: Fixes for antechamber / mopac issues Ross Walker (Fri Jul 11 2008 - 14:48:27 PDT)
- amber-developers: AmberTools1.1 and 1.2(?) David A. Case (Mon Jul 14 2008 - 16:22:55 PDT)
- amber-developers: candidate tarball for AmberTools1.2 David A. Case (Wed Jul 16 2008 - 17:04:44 PDT)
- amber-developers: amber11 CVS tree is again open for commits David A. Case (Tue Jul 22 2008 - 10:22:37 PDT)
- amber-developers: Possible bug in mm_pbsa Junmei Wang (Wed Jul 23 2008 - 08:43:58 PDT)
- amber-developers: disk full during cvs update of amber11 Andreas Svrcek-Seiler (Mon Aug 04 2008 - 06:47:29 PDT)
- amber-developers: Ptraj Patch for Ambertools 1.2 (beta) Daniel Roe (Fri Aug 29 2008 - 09:04:06 PDT)
- amber-developers: dsum_tol and shake tolerance on energy conservation Ross Walker (Fri Sep 05 2008 - 09:01:56 PDT)
- amber-developers: Testing of PIMD / NEB? (Broken in AMBER 10) Ross Walker (Fri Sep 05 2008 - 14:46:38 PDT)
- amber-developers: Re: Installing Ambertools in cygwin Gustavo Seabra (Sat Sep 06 2008 - 15:09:04 PDT)
- amber-developers: dsum_tol and shake tolerance on energy conservation (another example) Volodymyr Babin (Mon Sep 08 2008 - 10:47:47 PDT)
- amber-developers: Re: [Fwd: input coords for REMD in Amber9] David A. Case (Thu Sep 11 2008 - 08:59:43 PDT)
- amber-developers: AMBER11 CVS build error when DEBUG is set Mark Williamson (Thu Sep 11 2008 - 13:40:22 PDT)
- amber-developers: Roll back of Thole Screening modification in sander cvs. Ross Walker (Thu Sep 18 2008 - 13:47:13 PDT)
- amber-developers: Moving of AMBER CVS Tree Ross Walker (Wed Sep 24 2008 - 16:56:20 PDT)
- amber-developers: AMBER CVS Tree locked Ross Walker (Thu Sep 25 2008 - 16:34:19 PDT)
- amber-developers: AMBER CVS TREE MOVED Ross Walker (Thu Sep 25 2008 - 18:23:18 PDT)
- amber-developers: Some testing result on pmemd scaling and parallel computation Mengjuei Hsieh (Mon Sep 29 2008 - 18:27:37 PDT)
- amber-developers: Re: PMEMD 10 patch 2 David A. Case (Thu Oct 02 2008 - 15:07:01 PDT)
- amber-developers: AMD Core Math Libraries? Gustavo Seabra (Mon Oct 06 2008 - 10:41:31 PDT)
- amber-developers: problems with iwrap2, molecule.f, etc in amber11? David A. Case (Tue Oct 07 2008 - 04:10:15 PDT)
- amber-developers: Re: AMBER: amber10 installation on sgi_mips David A. Case (Thu Oct 09 2008 - 09:47:55 PDT)
- amber-developers: http://ambermd.org/ Ilyas Yildirim (Thu Oct 09 2008 - 16:58:52 PDT)
- amber-developers: ESP printing in sander Ray Luo (Tue Oct 14 2008 - 18:43:36 PDT)
- amber-developers: AMBER CVS Ross Walker (Sat Oct 25 2008 - 14:01:30 PDT)
- amber-developers: Two build/test issues Lachele Foley (Mon Nov 03 2008 - 11:57:45 PST)
- amber-developers: Extra Points Calculation Lachele Foley (Wed Nov 05 2008 - 08:04:45 PST)
- amber-developers: 400 Amber licenses so far David A. Case (Mon Nov 10 2008 - 08:43:32 PST)
- amber-developers: antechamber/pdb.c Volodymyr Babin (Mon Nov 10 2008 - 09:08:35 PST)
- amber-developers: fixup to max14 David A. Case (Wed Nov 12 2008 - 06:31:29 PST)
- amber-developers: REMD with Netcdf Daniel Roe (Wed Nov 12 2008 - 06:45:42 PST)
- amber-developers: leap counterions and solvate refs Scott Brozell (Thu Nov 20 2008 - 18:47:47 PST)
- amber-developers: ene and ener array mess in sander Ross Walker (Fri Nov 21 2008 - 22:06:28 PST)
- amber-developers: Problmes compiling PTRAJ within AMBER11 with -nobintraj Mark Williamson (Mon Nov 24 2008 - 12:10:39 PST)
- amber-developers: RE: mixed 1-4 scaling in Gromacs Ross Walker (Tue Dec 09 2008 - 21:19:09 PST)
- amber-developers: nmode units Ilyas Yildirim (Thu Dec 11 2008 - 18:58:43 PST)
- amber-developers: Citation Gustavo Seabra (Fri Dec 12 2008 - 13:11:49 PST)
- amber-developers: Antechamber's parmjoin Gustavo Seabra (Mon Dec 15 2008 - 08:48:41 PST)
- amber-developers: Random seeds Ross Walker (Wed Dec 17 2008 - 09:37:05 PST)
- amber-developers: Advance notice of mailing list changes Ross Walker (Fri Dec 19 2008 - 18:17:47 PST)
- amber-developers: Important Info: Changes to the AMBER Developers List (Your Action is Required) Ross Walker (Sun Dec 21 2008 - 13:01:15 PST)
- [Amber-developers] Welcome (and test) Ross Walker (Sun Dec 21 2008 - 13:14:19 PST)
- [Amber-developers] test Adrian Roitberg (Tue Dec 23 2008 - 09:19:03 PST)
- [Amber-developers] Test message please ignore Ross Walker (Tue Jan 06 2009 - 10:37:05 PST)
- [AMBER-Developers] inconsistency in sander manual and code for restart velocities Carlos Simmerling (Tue Jan 06 2009 - 13:58:08 PST)
- Re: [AMBER-Developers] inconsistency in sander manual andcode forrestart velocities Robert Duke (Wed Jan 07 2009 - 09:37:49 PST)
- Re: [AMBER-Developers] inconsistency in sander manual and codeforrestart velocities Robert Duke (Wed Jan 07 2009 - 10:35:01 PST)
- [AMBER-Developers] FYI: OpenMM project at Stanford David A. Case (Thu Jan 08 2009 - 05:21:40 PST)
- [AMBER-Developers] change in source-code organization for NAB David A. Case (Wed Jan 14 2009 - 11:49:19 PST)
- [AMBER-Developers] Update your CVS tree's Ross Walker (Thu Jan 22 2009 - 12:49:38 PST)
- [AMBER-Developers] Possible parallel Makefile bug pertaining to sander.LES target Mark Williamson (Fri Jan 23 2009 - 16:57:30 PST)
- [AMBER-Developers] We have passed 500 shipments for Amber 10 David A. Case (Mon Feb 02 2009 - 08:54:00 PST)
- [AMBER-Developers] reflector searching Scott Brozell (Tue Feb 03 2009 - 10:53:14 PST)
- [AMBER-Developers] Stanford press release on GPUs and molecular dynamics David A. Case (Fri Feb 06 2009 - 08:16:51 PST)
- [AMBER-Developers] General thoughts about %comments in prmtop files Mark Williamson (Mon Feb 09 2009 - 17:13:00 PST)
- Re: [AMBER-Developers] Amber10 REMD with NETCDF trajectory fix David A. Case (Tue Feb 10 2009 - 07:20:20 PST)
- [AMBER-Developers] netcdf/REMD bug fixes David A. Case (Tue Feb 10 2009 - 08:58:53 PST)
- [AMBER-Developers] Ptraj Netcdf Trajout Bug, Patch Daniel Roe (Tue Feb 10 2009 - 12:13:31 PST)
- [AMBER-Developers] FW: TACC Training: Large Scale Molecular Dynamics Simulations of Biomolecules using Desmond Ross Walker (Tue Feb 10 2009 - 15:52:41 PST)
- [AMBER-Developers] Coompiling AmberTools under Cygwin with gcc-4 Gustavo Seabra (Thu Feb 12 2009 - 09:17:04 PST)
- [AMBER-Developers] commit codes for Thole model in sander Jun Wang (Mon Feb 23 2009 - 10:13:02 PST)
- [AMBER-Developers] AMBER10 bugfix.17 MengJuei Hsieh (Thu Feb 26 2009 - 13:01:44 PST)
- [AMBER-Developers] Photos Ken Merz (Sun Mar 01 2009 - 08:22:22 PST)
- [AMBER-Developers] Fortran2003? Joe Krahn (Tue Mar 03 2009 - 10:05:38 PST)
- [AMBER-Developers] Experimental Ptraj Code - To Speed Up Trajectory Reading Eric Absgarten (Wed Mar 04 2009 - 17:48:13 PST)
- [AMBER-Developers] Including chain and residue numbers in the PRMTOP Joe Krahn (Thu Mar 05 2009 - 12:33:18 PST)
- [AMBER-Developers] Backup file renaming? Joe Krahn (Thu Mar 05 2009 - 13:12:33 PST)
- [AMBER-Developers] Update question Lachele Foley (Thu Mar 05 2009 - 15:14:06 PST)
- [AMBER-Developers] generalized distance constraints David A. Case (Tue Mar 10 2009 - 05:58:09 PDT)
- [AMBER-Developers] PTRAJ: File compression Daniel Roe (Wed Mar 11 2009 - 10:31:12 PDT)
- [AMBER-Developers] PRMTOP format Joe Krahn (Wed Mar 11 2009 - 11:37:55 PDT)
- [AMBER-Developers] PTRAJ: Replica temperatures in netcdf output traj Daniel Roe (Wed Mar 11 2009 - 12:06:59 PDT)
- [AMBER-Developers] Amber coding standards Joe Krahn (Mon Mar 16 2009 - 09:03:42 PDT)
- [AMBER-Developers] Current AMBER11 CVS make test.serial failures: Mark Williamson (Mon Mar 16 2009 - 09:59:09 PDT)
- [AMBER-Developers] Amber Tools Install Lachele Foley (Tue Mar 17 2009 - 08:28:04 PDT)
- [AMBER-Developers] Fortran module for LOCMEM? Joe Krahn (Wed Mar 18 2009 - 11:47:11 PDT)
- [AMBER-Developers] Linking of MKL Ross Walker (Thu Mar 19 2009 - 15:43:42 PDT)
- [AMBER-Developers] PDB attributes for PRMTOP files Joe Krahn (Tue Mar 24 2009 - 09:53:04 PDT)
- [AMBER-Developers] Goals for AMBER code format/style? Joe Krahn (Thu Mar 26 2009 - 09:33:41 PDT)
- [AMBER-Developers] Found some bugs to fix. Joe Krahn (Fri Mar 27 2009 - 13:42:51 PDT)
- [AMBER-Developers] src/sander/makedepend cannot find xray_interface_module Volodymyr Babin (Fri Mar 27 2009 - 21:22:25 PDT)
- [AMBER-Developers] Pointer and Allocatable Wiki page Joe Krahn (Mon Mar 30 2009 - 12:38:55 PDT)
- [AMBER-Developers] new CVS versions of leaprc.ff99bsc0 and ambpdb.f David A. Case (Tue Mar 31 2009 - 09:03:06 PDT)
- [AMBER-Developers] Usage of long symbol names, KIND, DFLOAT, etc. Joe Krahn (Tue Mar 31 2009 - 09:27:36 PDT)
- [AMBER-Developers] Fedora 9 and amber11/src/configure_at MengJuei Hsieh (Tue Mar 31 2009 - 16:58:11 PDT)
- [AMBER-Developers] Bug in LMOD do_list_update Joe Krahn (Wed Apr 01 2009 - 08:06:42 PDT)
- [AMBER-Developers] The problem with RCSB Joe Krahn (Wed Apr 01 2009 - 08:30:44 PDT)
- [AMBER-Developers] How are coordinates managed? (and using the WIki) Joe Krahn (Mon Apr 06 2009 - 07:48:05 PDT)
- [AMBER-Developers] PRMTOP format details Joe Krahn (Fri Apr 10 2009 - 08:31:15 PDT)
- [AMBER-Developers] Tzy-hwa K Tzeng is out of the office. Tzy-hwa K Tzeng (Fri Apr 10 2009 - 09:14:49 PDT)
- [AMBER-Developers] bugzilla accounts - new email addresses Scott Brozell (Sat Apr 11 2009 - 10:20:23 PDT)
- [AMBER-Developers] Test output file from qmmm_div in CVS by mistake? Joe Krahn (Tue Apr 14 2009 - 14:16:33 PDT)
- [AMBER-Developers] survey on using divcon inside of sander David A. Case (Fri Apr 17 2009 - 06:49:27 PDT)
- [AMBER-Developers] Delete old glycam stuff Lachele Foley (Tue May 12 2009 - 07:41:31 PDT)
- [AMBER-Developers] 1-4 Duplicate NB flagging when k atom index is one Mark Williamson (Thu May 21 2009 - 13:33:14 PDT)
- [AMBER-Developers] Suspension of CVS Checkins Ross Walker (Thu May 21 2009 - 16:36:37 PDT)
- [AMBER-Developers] CVS Tree Fixed Ross Walker (Fri May 22 2009 - 13:53:01 PDT)
- [AMBER-Developers] Error compiling amber11: xray_interface.f Gustavo Seabra (Thu May 28 2009 - 09:50:59 PDT)
- [AMBER-Developers] Re: [AMBER] GLYCAM: warnings by writing topology David A. Case (Wed Jun 17 2009 - 04:57:17 PDT)
- [AMBER-Developers] symmetrizing improper dihedrals in Amber force fields David A. Case (Wed Jun 17 2009 - 10:47:47 PDT)
- [AMBER-Developers] Manual execution of 'make depend' for sander? Daniel Roe (Thu Jun 18 2009 - 06:22:18 PDT)
- [AMBER-Developers] Trajectory PP (imin==5) patch for amber10 Daniel Roe (Thu Jun 18 2009 - 08:36:33 PDT)
- [AMBER-Developers] Updating documentation Daniel Roe (Thu Jun 18 2009 - 09:12:30 PDT)
- [AMBER-Developers] debug.f merge_forces Tyler Luchko (Fri Jun 19 2009 - 12:58:20 PDT)
- [AMBER-Developers] getting closer to AmberTools, version 1.3 case (Thu Jul 02 2009 - 06:59:19 PDT)
- [AMBER-Developers] Tzy-hwa K Tzeng is out of the office. Tzy-hwa K Tzeng (Thu Jul 02 2009 - 09:15:53 PDT)
- [AMBER-Developers] start of files for a new "ff09" force field case (Fri Jul 03 2009 - 07:36:40 PDT)
- [AMBER-Developers] Problems with leaprc.ff99SB and DNA Ross Walker (Mon Jul 06 2009 - 14:57:26 PDT)
- [AMBER-Developers] Possible bug with ntt=3 and ntr=1 Ross Walker (Mon Jul 06 2009 - 23:15:00 PDT)
- [AMBER-Developers] new locations for sander QM/MM routines case (Tue Jul 07 2009 - 08:11:05 PDT)
- Re: [AMBER-Developers] Possible bug with ntt=3 and ntr=1 - PossibleFix for PMEMD. Robert Duke (Tue Jul 07 2009 - 16:00:39 PDT)
- [AMBER-Developers] more on sander/sqm case (Sat Jul 11 2009 - 13:47:39 PDT)
- [AMBER-Developers] hanging part of an ifdef in sander.f Ben Roberts (Tue Jul 14 2009 - 08:22:08 PDT)
- [AMBER-Developers] Proposing amber10 bugfix on PBSA MengJuei Hsieh (Wed Jul 15 2009 - 21:29:11 PDT)
- [AMBER-Developers] significant changes in the QM/MM part of sander case (Mon Aug 03 2009 - 12:45:10 PDT)
- [AMBER-Developers] buglet in ptraj's printAtomMaskDetailed Hannes Loeffler (Tue Aug 04 2009 - 02:57:37 PDT)
- [AMBER-Developers] Another error building sqm... Ben Roberts (Wed Aug 05 2009 - 07:42:19 PDT)
- [AMBER-Developers] Also... Ben Roberts (Wed Aug 05 2009 - 07:57:40 PDT)
- [AMBER-Developers] Amber11 problems building with latest version of intel MKL (10.2) Daniel Roe (Wed Aug 12 2009 - 08:52:57 PDT)
- [AMBER-Developers] Tzy-hwa K Tzeng is out of the office. Tzy-hwa K Tzeng (Wed Aug 12 2009 - 09:12:28 PDT)
- [AMBER-Developers] Make install not working for new version of fftw code in amber Ben Roberts (Thu Aug 13 2009 - 08:58:09 PDT)
- [AMBER-Developers] Softcore TI setup script Tom Joseph (Thu Aug 13 2009 - 12:40:39 PDT)
- [AMBER-Developers] Adding mdwrit to minimisation? Ben Roberts (Fri Aug 14 2009 - 13:18:39 PDT)
- [AMBER-Developers] Patch for sander hang with missing box Tom Joseph (Fri Aug 14 2009 - 14:56:29 PDT)
- [AMBER-Developers] RE: qmmm_div in amber10 Ross Walker (Fri Aug 14 2009 - 18:49:49 PDT)
- [AMBER-Developers] Updated PIMD tests Ross Walker (Mon Aug 17 2009 - 15:17:18 PDT)
- [AMBER-Developers] cvs Scott Brozell (Tue Aug 18 2009 - 13:47:49 PDT)
- [AMBER-Developers] Possible broken Makefile within the current amber11 cvs tree Mark Williamson (Thu Aug 20 2009 - 16:03:52 PDT)
- [AMBER-Developers] [p.varnai.sussex.ac.uk: Re: [AMBER] Distance restraint and periodic boundary conditions] case (Fri Aug 21 2009 - 05:00:05 PDT)
- [AMBER-Developers] Question about cleaning Ben Roberts (Fri Aug 21 2009 - 07:14:37 PDT)
- [AMBER-Developers] recent changes to sander and the CVS tree case (Mon Aug 24 2009 - 05:16:59 PDT)
- [AMBER-Developers] PMEMD and valgrind Mark Williamson (Fri Aug 28 2009 - 17:59:50 PDT)
- [AMBER-Developers] [roitberg.qtp.ufl.edu: amber wiki] case (Mon Aug 31 2009 - 18:14:12 PDT)
- [AMBER-Developers] moving towards a single configure script case (Tue Sep 01 2009 - 19:39:03 PDT)
- [AMBER-Developers] more changes to the configuration scripts in amber11 case (Wed Sep 02 2009 - 08:27:49 PDT)
- [AMBER-Developers] AT parallel Lachele Foley (Thu Sep 03 2009 - 12:13:21 PDT)
- [AMBER-Developers] sqm requires manual "make depend" Andreas Goetz (Thu Sep 03 2009 - 18:30:39 PDT)
- [AMBER-Developers] sander error: formatted I/O to unit open for unformatted transfers Andreas Goetz (Thu Sep 03 2009 - 18:42:11 PDT)
- [AMBER-Developers] Provisional Support for AMBER 10 PMEMD on NVIDIA GPUs Ross Walker (Fri Sep 04 2009 - 09:35:13 PDT)
- [AMBER-Developers] Parallel Ptraj Ross Walker (Fri Sep 04 2009 - 11:03:46 PDT)
- [AMBER-Developers] yet more configure changes in CVS case (Fri Sep 04 2009 - 15:16:32 PDT)
- [AMBER-Developers] comments on how different versions of MKL are handled case (Wed Sep 09 2009 - 08:47:53 PDT)
- [AMBER-Developers] more MKL questions case (Wed Sep 09 2009 - 09:51:35 PDT)
- [AMBER-Developers] Makefile_at problems Jason Swails (Wed Sep 09 2009 - 17:07:22 PDT)
- [AMBER-Developers] Compiling amber in parallel: config.h Jason Swails (Wed Sep 09 2009 - 19:14:42 PDT)
- [AMBER-Developers] ptraj.MPI compiling issues Jason Swails (Wed Sep 09 2009 - 19:35:19 PDT)
- [AMBER-Developers] depend files Ben Roberts (Fri Sep 11 2009 - 07:29:06 PDT)
- [AMBER-Developers] Re: [Fwd: [AMBER] AmberTools 1.3 / CHAMBER] case (Mon Sep 14 2009 - 05:35:54 PDT)
- [AMBER-Developers] need for mmpbsa test set Adrian Roitberg (Mon Sep 14 2009 - 11:30:29 PDT)
- [AMBER-Developers] Problems with parallel compiling... steinbrt.rci.rutgers.edu (Tue Sep 15 2009 - 07:04:12 PDT)
- [AMBER-Developers] Problems with parallel compiling... update steinbrt.rci.rutgers.edu (Tue Sep 15 2009 - 07:24:11 PDT)
- [AMBER-Developers] Amber on Mac (Snow Leopard) Jason Swails (Wed Sep 16 2009 - 15:57:20 PDT)
- [AMBER-Developers] Request for comments on Fortran vs. C versions of blas, lapack, etc. case (Wed Sep 16 2009 - 19:17:13 PDT)
- Re: [AMBER-Developers] Request for comments on Fortran vs. C versions of blas, lapack, etc. Volodymyr Babin (Wed Sep 16 2009 - 19:56:02 PDT)
- Re: [AMBER-Developers] Request for comments on Fortran vs. C versions of blas, lapack, etc. Scott Brozell (Thu Sep 17 2009 - 00:43:15 PDT)
- Re: [AMBER-Developers] Request for comments on Fortran vs. C versions of blas, lapack, etc. case (Thu Sep 17 2009 - 05:05:06 PDT)
- Re: [AMBER-Developers] Request for comments on Fortran vs. C versions of blas, lapack, etc. Scott Brozell (Thu Sep 17 2009 - 09:54:00 PDT)
- Re: [AMBER-Developers] Request for comments on Fortran vs. C versions of blas, lapack, etc. case (Thu Sep 17 2009 - 10:02:18 PDT)
- Re: [AMBER-Developers] Request for comments on Fortran vs. C versions of blas, lapack, etc. Eric Pettersen (Thu Sep 17 2009 - 10:34:47 PDT)
- Re: [AMBER-Developers] Request for comments on Fortran vs. C versions of blas, lapack, etc. Scott Brozell (Thu Sep 17 2009 - 12:23:20 PDT)
- Re: [AMBER-Developers] Request for comments on Fortran vs. C versions of blas, lapack, etc. case (Thu Sep 17 2009 - 13:22:49 PDT)
- Re: [AMBER-Developers] Request for comments on Fortran vs. C versions of blas, lapack, etc. Scott Brozell (Thu Sep 17 2009 - 14:32:12 PDT)
- Re: [AMBER-Developers] Request for comments on Fortran vs. C versions of blas, lapack, etc. case (Thu Sep 17 2009 - 04:50:46 PDT)
- [AMBER-Developers] First release candidate for AmberTools 1.3 case (Fri Sep 18 2009 - 19:56:08 PDT)
- [AMBER-Developers] C form of AMBER's FORTRAN subroutine nxtsec Mark Williamson (Mon Sep 21 2009 - 13:51:01 PDT)
- [AMBER-Developers] Second release candidate for AmberTools 1.3 case (Thu Sep 24 2009 - 15:28:21 PDT)
- [AMBER-Developers] missing log file from previous email case (Sun Sep 27 2009 - 12:05:56 PDT)
- [AMBER-Developers] New error in GB N-R and normal mode test Ben Roberts (Tue Sep 29 2009 - 10:39:43 PDT)
- [AMBER-Developers] In which serial Amber 11 is compiled on a Mac running Snow Leopard Ben Roberts (Tue Sep 29 2009 - 14:46:01 PDT)
- [AMBER-Developers] Amber11 Snow Leopard compilation and testing notes on Wiki Ben Roberts (Wed Sep 30 2009 - 13:31:33 PDT)
- [AMBER-Developers] Bugzilla? Ben Roberts (Thu Oct 01 2009 - 07:36:58 PDT)
- [AMBER-Developers] possible fix for failures with compiling amber using Intel MKL Jason Swails (Thu Oct 01 2009 - 17:37:33 PDT)
- [AMBER-Developers] compiler flags, second() routine case (Fri Oct 02 2009 - 06:21:20 PDT)
- [AMBER-Developers] ptraj errors Jason Swails (Fri Oct 02 2009 - 14:16:12 PDT)
- [AMBER-Developers] updated release candidate for AmberTools version 1.3 case (Wed Oct 07 2009 - 13:41:27 PDT)
- [AMBER-Developers] Comments on patch file for PMEMD 10 Chamber Ross Walker (Wed Oct 07 2009 - 18:51:53 PDT)
- [AMBER-Developers] Re: [AMBER] OpenMP case (Mon Oct 12 2009 - 11:19:58 PDT)
- [AMBER-Developers] -p4 intel switch of configure script MengJuei Hsieh (Mon Oct 12 2009 - 16:44:23 PDT)
- [AMBER-Developers] Re: [AMBER] Large File Support case (Thu Oct 15 2009 - 12:30:40 PDT)
- [AMBER-Developers] configure options Jason Swails (Thu Oct 15 2009 - 13:45:02 PDT)
- [AMBER-Developers] Chamber support patch for PMEMD Ross Walker (Thu Oct 15 2009 - 13:57:34 PDT)
- [AMBER-Developers] Final version??? of PMEMD 10.0 Chamber patch Ross Walker (Mon Oct 19 2009 - 22:24:28 PDT)
- [AMBER-Developers] sander/nbips problem Ben Roberts (Tue Oct 20 2009 - 13:58:10 PDT)
- [AMBER-Developers] Compiling problem with a fresh checkout Wu, Xiongwu (NIH/NHLBI) [E] (Wed Oct 21 2009 - 12:42:43 PDT)
- [AMBER-Developers] More weirdness to do with netCDF Ben Roberts (Wed Oct 21 2009 - 14:09:44 PDT)
- [AMBER-Developers] Parallel sander tests and the -ng switch Ben Roberts (Thu Oct 22 2009 - 09:16:51 PDT)
- [AMBER-Developers] SSE2 / SSE3 settings no longer used for ifort? Ross Walker (Fri Oct 23 2009 - 16:45:19 PDT)
- [AMBER-Developers] cleaning up netcdf case (Tue Oct 27 2009 - 07:34:49 PDT)
- [AMBER-Developers] NAB and PBSA broken in CVS? Ross Walker (Thu Oct 29 2009 - 16:31:25 PDT)
- [AMBER-Developers] Tzy-hwa K Tzeng is out of the office. Tzy-hwa K Tzeng (Thu Oct 29 2009 - 17:59:10 PDT)
- [AMBER-Developers] new release candidate for AmberTools case (Fri Oct 30 2009 - 07:32:12 PDT)
- [svrci.tbi.univie.ac.at: Re: [AMBER-Developers] new release candidate for AmberTools] case (Fri Oct 30 2009 - 09:35:43 PDT)
- [AMBER-Developers] pbsa amber compilation error Jason Swails (Sat Oct 31 2009 - 17:31:40 PDT)
- [AMBER-Developers] RHEL 4's gcc does not like -mtune=generic Mark Williamson (Mon Nov 02 2009 - 09:08:09 PST)
- [AMBER-Developers] Patch of configure script for Mac OS X MengJuei Hsieh (Mon Nov 02 2009 - 15:27:06 PST)
- [AMBER-Developers] setting options to FPP - configure bug Robert Konecny (Fri Nov 06 2009 - 10:39:15 PST)
- [AMBER-Developers] Re: [AMBER] AmberTools 1.2 Installation on Ubuntu 9.10 Karmic Koala Jason Swails (Mon Nov 09 2009 - 12:21:01 PST)
- [AMBER-Developers] Re: [AMBER] AmberTools 1.2 Installation on Ubuntu 9.10 Karmic Koala Andreas Svrcek-Seiler (Tue Nov 10 2009 - 13:17:38 PST)
- [AMBER-Developers] Odd missing functions when making tools_serial Ben Roberts (Tue Nov 10 2009 - 14:42:41 PST)
- [AMBER-Developers] Re: updating nab case (Thu Nov 12 2009 - 04:48:20 PST)
- [AMBER-Developers] release date for AmberTools 1.3? case (Fri Nov 13 2009 - 09:50:45 PST)
- [AMBER-Developers] Amber10 mm_pbsa bugfix suggestion MengJuei Hsieh (Fri Nov 13 2009 - 15:25:23 PST)
- [AMBER-Developers] missing symbols in netcdf/sander compile (mac osx)? case (Mon Nov 16 2009 - 07:52:08 PST)
- [AMBER-Developers] more on netcdf configuration problems on mac case (Mon Nov 16 2009 - 11:32:33 PST)
- [AMBER-Developers] more on the "march" variable in configure case (Mon Nov 16 2009 - 18:26:30 PST)
- [AMBER-Developers] last real chance to give a good name to "sqm" case (Wed Nov 18 2009 - 08:57:10 PST)
- [AMBER-Developers] test request for ambertools and Snow Leopard 64 bits kernel Scott Brozell (Mon Nov 23 2009 - 12:20:07 PST)
- [AMBER-Developers] New release candidates for AmberTools 1.3; new CVS branch case (Tue Nov 24 2009 - 06:57:18 PST)
- Re: [AMBER-Developers] New release candidates for AmberTools 1.3; new CVS branch Lachele Foley (Tue Nov 24 2009 - 12:56:18 PST)
- [AMBER-Developers] AT 1.3 config fails for alternate gnu location Lachele Foley (Tue Nov 24 2009 - 13:28:08 PST)
- [AMBER-Developers] AT test, weird csh,rm thing Lachele Foley (Tue Nov 24 2009 - 13:55:48 PST)
- [AMBER-Developers] Test case antechamber/sustiva in at1.3 MengJuei Hsieh (Mon Nov 30 2009 - 02:07:40 PST)
- [AMBER-Developers] Do sleap support water? MengJuei Hsieh (Mon Nov 30 2009 - 02:46:43 PST)
- [AMBER-Developers] Re: Atomic radii assignment for WAT molecules MengJuei Hsieh (Mon Nov 30 2009 - 16:40:36 PST)
- [AMBER-Developers] AmberLite package from Romain Wolf case (Wed Dec 02 2009 - 12:49:03 PST)
- [AMBER-Developers] lmod xmin problems with sander and sqm Andreas Goetz (Fri Dec 04 2009 - 19:12:12 PST)
- [AMBER-Developers] latest release candidate for AmberTools 1.3 case (Mon Dec 07 2009 - 06:53:25 PST)
- [AMBER-Developers] netcdf reference despite no netcdf config Lachele Foley (Mon Dec 07 2009 - 13:17:50 PST)
- [AMBER-Developers] yet another AmberTools release candidate case (Tue Dec 08 2009 - 06:10:38 PST)
- [AMBER-Developers] sleap issues Lachele Foley (Wed Dec 09 2009 - 13:53:13 PST)
- [AMBER-Developers] updating the AmberTools users manual case (Thu Dec 10 2009 - 06:04:32 PST)
- [AMBER-Developers] fedora x11 libs Scott Brozell (Thu Dec 10 2009 - 14:20:06 PST)
- [AMBER-Developers] ptraj_comprehensive test Jason Swails (Fri Dec 11 2009 - 08:26:12 PST)
- [AMBER-Developers] configure/BINTRAJ Volodymyr Babin (Fri Dec 11 2009 - 09:26:50 PST)
- [AMBER-Developers] configure modified for Cray XT5 Jason Swails (Fri Dec 11 2009 - 15:06:05 PST)
- [AMBER-Developers] restraint bug? case (Sat Dec 12 2009 - 13:13:41 PST)
- [AMBER-Developers] Re: some xmin issues: LBFGS vs TCNG case (Sun Dec 13 2009 - 06:11:16 PST)
- [AMBER-Developers] getting close for AmberTools 1.3 case (Sun Dec 13 2009 - 18:11:37 PST)
- [AMBER-Developers] compiling with ia64 Lachele Foley (Mon Dec 14 2009 - 11:35:28 PST)
- [AMBER-Developers] Re: [AMBER] Number of Cycles Jason Swails (Tue Dec 15 2009 - 09:22:57 PST)
- [AMBER-Developers] PTRAJ: Formatted REMD trajectory bug Daniel Roe (Tue Dec 15 2009 - 11:08:26 PST)
- [AMBER-Developers] Docs Lachele Foley (Tue Dec 15 2009 - 14:35:43 PST)
- [AMBER-Developers] antechamber / sqm peptide correction Andreas Goetz (Tue Dec 15 2009 - 17:48:01 PST)
- [AMBER-Developers] more on sqm gradients and xmin performance case (Thu Dec 17 2009 - 09:25:39 PST)
- [AMBER-Developers] Near-final version of AmberTools 1.3 case (Fri Dec 18 2009 - 09:39:19 PST)
- [AMBER-Developers] easy ia64 configure fixes Lachele Foley (Fri Dec 18 2009 - 12:55:29 PST)
- [AMBER-Developers] Problems with AMBERTools Readme_at Ross Walker (Sat Dec 19 2009 - 03:59:34 PST)
- [AMBER-Developers] please refrain from any commits to the at3 branch case (Sat Dec 19 2009 - 11:41:31 PST)
- [AMBER-Developers] Updated mdinfo file. Ross Walker (Sat Dec 19 2009 - 16:43:14 PST)
- [AMBER-Developers] Updated PBSA codes Mengjuei Hsieh (Mon Dec 21 2009 - 02:17:10 PST)
- [AMBER-Developers] amber test failures Jason Swails (Mon Dec 21 2009 - 21:04:01 PST)
- [AMBER-Developers] cygwin issues Mengjuei Hsieh (Tue Dec 29 2009 - 13:40:41 PST)
- [AMBER-Developers] updates to the Amber Wiki case (Sat Jan 02 2010 - 06:53:07 PST)
- [AMBER-Developers] DFTB test in Amber 11 - seg fault Ben Roberts (Tue Jan 05 2010 - 15:00:08 PST)
- [AMBER-Developers] Configure script and parallel build of sander Ben Roberts (Thu Jan 14 2010 - 08:14:05 PST)
- [AMBER-Developers] amber10/netcdf Jason Swails (Thu Jan 14 2010 - 20:15:21 PST)
- [AMBER-Developers] Looking for cover art for the Amber 11 manual case (Sat Jan 23 2010 - 13:43:06 PST)
- [AMBER-Developers] Party Videos Lachele Foley (Sun Jan 24 2010 - 17:27:51 PST)
- [AMBER-Developers] Ptraj Trajectory File Abstraction Daniel Roe (Mon Jan 25 2010 - 09:31:39 PST)
- [AMBER-Developers] To-do list for Amber11 release case (Wed Jan 27 2010 - 09:46:21 PST)
- [AMBER-Developers] qmmm seg fault Lachele Foley (Wed Jan 27 2010 - 11:15:04 PST)
- [AMBER-Developers] ptraj compile broke Lachele Foley (Thu Jan 28 2010 - 06:36:19 PST)
- [AMBER-Developers] 3D-RISM SANDER interface changes Tyler Luchko (Thu Jan 28 2010 - 15:28:19 PST)
- [AMBER-Developers] bugfix for Amber10's bugfix.26 Mengjuei Hsieh (Thu Jan 28 2010 - 15:46:49 PST)
- [AMBER-Developers] CVS Tree is locked Ross Walker (Fri Jan 29 2010 - 13:52:55 PST)
- [AMBER-Developers] Confusing clean targets. Ross Walker (Fri Jan 29 2010 - 14:12:55 PST)
- [AMBER-Developers] CVS Tree unlocked. Ross Walker (Fri Jan 29 2010 - 16:11:33 PST)
- [AMBER-Developers] separation of Amber and AmberTools? case (Sat Jan 30 2010 - 06:22:52 PST)
- [AMBER-Developers] questions about compiler flags case (Mon Feb 01 2010 - 12:18:40 PST)
- [AMBER-Developers] ips.f::aips_sumrc() is not using nfftdim2 and nfftdim3 Mark Williamson (Tue Feb 02 2010 - 13:18:56 PST)
- Re: [AMBER-Developers] ips.f::aips_sumrc() is not using nfftdim2andnfftdim3 Robert Duke (Tue Feb 02 2010 - 14:53:36 PST)
- [AMBER-Developers] recent PB changes? Jason Swails (Fri Feb 05 2010 - 10:16:30 PST)
- Re: [AMBER-Developers] DFTB test in Amber 11 - seg fault (fwd) Scott Brozell (Fri Feb 05 2010 - 21:33:33 PST)
- [AMBER-Developers] plans for CVS freeze, etc. case (Sat Feb 06 2010 - 15:23:11 PST)
- [AMBER-Developers] SCEE and SCNB removed Ross Walker (Mon Feb 08 2010 - 06:43:22 PST)
- [AMBER-Developers] Adding fortran module into nab with some catches. MengJuei Hsieh (Tue Feb 09 2010 - 03:07:46 PST)
- [AMBER-Developers] simplepbsa build errors with commercial compilers Jason Swails (Tue Feb 09 2010 - 10:34:41 PST)
- [AMBER-Developers] multisander print statement Jason Swails (Wed Feb 10 2010 - 08:04:58 PST)
- [AMBER-Developers] Scalar vs. array mix-up in QMGB Ben Roberts (Wed Feb 10 2010 - 12:26:30 PST)
- [AMBER-Developers] Duplicate subroutines in protonate Ben Roberts (Wed Feb 10 2010 - 13:23:38 PST)
- [AMBER-Developers] problems with resp_modules case (Wed Feb 10 2010 - 15:20:01 PST)
- [AMBER-Developers] resp.f missing Andreas Goetz (Thu Feb 11 2010 - 18:05:36 PST)
- [AMBER-Developers] ambpdb -aatm prints nulls in output PDB Tom Joseph (Fri Feb 12 2010 - 15:08:28 PST)
- [AMBER-Developers] parallel sander QMMM tests broken? case (Tue Feb 16 2010 - 05:35:11 PST)
- [AMBER-Developers] intel64: feupdateenv is not implemented and will always fail Lachele Foley (Wed Feb 17 2010 - 12:04:44 PST)
- Re: [AMBER-Developers] intel64: feupdateenv is not implemented and will always fail Lachele Foley (Wed Feb 17 2010 - 12:23:34 PST)
- [AMBER-Developers] minor-ish AT parallel make request Lachele Foley (Wed Feb 17 2010 - 13:58:06 PST)
- [AMBER-Developers] incompatible processor requirements in parallel tests Lachele Foley (Thu Feb 18 2010 - 08:55:51 PST)
- Re: [AMBER-Developers] incompatible processor requirements in parallel tests Lachele Foley (Thu Feb 18 2010 - 12:46:35 PST)
- Re: [AMBER-Developers] incompatible processor requirements in parallel tests Lachele Foley (Thu Feb 18 2010 - 14:20:19 PST)
- [AMBER-Developers] Use of ifdef'ed includes and "use module x" in many {pb, np}_*.f files is breaking ./src/sander/makedepend Mark Williamson (Thu Feb 18 2010 - 20:15:16 PST)
- [AMBER-Developers] writers of parallel tests Scott Brozell (Thu Feb 18 2010 - 23:57:48 PST)
- Re: [AMBER-Developers] Scalar vs. array mix-up in QMGB (fwd) Scott Brozell (Fri Feb 19 2010 - 18:01:34 PST)
- [AMBER-Developers] bug in ptraj.c (AmberTools 1.3) Hannes Loeffler (Mon Feb 22 2010 - 08:57:35 PST)
- [AMBER-Developers] sleap / tleap box type confusion? Jason Swails (Mon Feb 22 2010 - 12:55:41 PST)
- [AMBER-Developers] Amber tools 1.4? Ross Walker (Mon Feb 22 2010 - 16:29:32 PST)
- [AMBER-Developers] constant pH setup in sleap Jason Swails (Mon Feb 22 2010 - 21:57:30 PST)
- [AMBER-Developers] bug in transformWatershell/actions.c (AmberTools 1.3) Hannes Loeffler (Tue Feb 23 2010 - 01:45:32 PST)
- [AMBER-Developers] low priority newbie CVS question Lachele Foley (Tue Feb 23 2010 - 06:53:28 PST)
- [AMBER-Developers] double4 in cuda? case (Tue Feb 23 2010 - 11:37:40 PST)
- [AMBER-Developers] General test failure question Ben Roberts (Tue Feb 23 2010 - 15:05:05 PST)
- [AMBER-Developers] The Boost headers Ben Roberts (Wed Feb 24 2010 - 05:41:40 PST)
- [AMBER-Developers] Assembler speaks -- is this important? Lachele Foley (Wed Feb 24 2010 - 08:32:23 PST)
- [AMBER-Developers] mpif77 & Fortran 90 Lachele Foley (Wed Feb 24 2010 - 10:56:07 PST)
- [AMBER-Developers] Re: [AMBER] ptraj, imaging for NAMD generated dcd files, Error in tokenize case (Thu Feb 25 2010 - 05:14:13 PST)
- [AMBER-Developers] problem compiling new checkout Jason Swails (Thu Feb 25 2010 - 12:37:29 PST)
- [AMBER-Developers] compile errors Jason Swails (Thu Feb 25 2010 - 16:21:18 PST)
- [AMBER-Developers] Error compiling under cygwin Daniel Roe (Sat Feb 27 2010 - 06:20:28 PST)
- [AMBER-Developers] new scripts for testing case (Sat Feb 27 2010 - 08:37:42 PST)
- [AMBER-Developers] Almost ready for first Amber11 release candidate case (Sat Feb 27 2010 - 19:44:28 PST)
- [AMBER-Developers] sander arpack undefined reference to second_ Andreas Goetz (Sun Feb 28 2010 - 05:06:13 PST)
- [AMBER-Developers] CVS versioning question Gustavo Seabra (Sun Feb 28 2010 - 05:52:20 PST)
- [AMBER-Developers] mm-pbsa undefined reference to dpotrs_ Andreas Goetz (Sun Feb 28 2010 - 15:12:14 PST)
- [AMBER-Developers] problems with second, second_, _second_, etc. case (Mon Mar 01 2010 - 07:51:45 PST)
- Re: [AMBER-Developers] Error compiling under cygwin: mm_pbsa - multiple definition of _csqrt Gustavo Seabra (Mon Mar 01 2010 - 10:18:36 PST)
- [AMBER-Developers] NAB tests Ben Roberts (Mon Mar 01 2010 - 11:53:27 PST)
- [AMBER-Developers] dsarpack complaint when compiling with ifort -check Ben Roberts (Mon Mar 01 2010 - 13:19:36 PST)
- [AMBER-Developers] potential optimisation problem in qm2_get_qm_forces Ben Roberts (Mon Mar 01 2010 - 13:21:48 PST)
- [AMBER-Developers] MKL in updated configure scripts etc. Ross Walker (Mon Mar 01 2010 - 14:32:00 PST)
- [AMBER-Developers] PMEMD now built by default Ross Walker (Mon Mar 01 2010 - 20:41:35 PST)
- [AMBER-Developers] configure_openmpi Jason Swails (Mon Mar 01 2010 - 21:38:18 PST)
- [AMBER-Developers] error compiling amber Jason Swails (Tue Mar 02 2010 - 10:53:58 PST)
- [AMBER-Developers] Other CASE issues... Ross Walker (Tue Mar 02 2010 - 14:02:30 PST)
- [AMBER-Developers] Case InSeNsitiVITY on MACS Ross Walker (Tue Mar 02 2010 - 14:02:30 PST)
- [AMBER-Developers] Build of AmberTools failed in libnab.a Ben Roberts (Tue Mar 02 2010 - 14:47:52 PST)
- [AMBER-Developers] compile error Jason Swails (Wed Mar 03 2010 - 09:22:10 PST)
- [AMBER-Developers] Another error (netcdf) with -j8 Ben Roberts (Wed Mar 03 2010 - 13:27:48 PST)
- [AMBER-Developers] Makefile suggestions for AMBER and AMBER Tools Ross Walker (Wed Mar 03 2010 - 18:46:51 PST)
- [AMBER-Developers] Current build fail with amber11CVS Mark Williamson (Thu Mar 04 2010 - 03:04:58 PST)
- [AMBER-Developers] Current state of CVS tree. (GNU Compilers) Ross Walker (Thu Mar 04 2010 - 12:30:25 PST)
- [AMBER-Developers] Current state of CVS tree. (Intel Compilers) Ross Walker (Thu Mar 04 2010 - 13:12:45 PST)
- [AMBER-Developers] more on ptraj compilation with Intel case (Thu Mar 04 2010 - 14:25:30 PST)
- [AMBER-Developers] Help with Makefile syntax Ross Walker (Thu Mar 04 2010 - 16:07:15 PST)
- [AMBER-Developers] Requirement to build serial before building parallel Ross Walker (Fri Mar 05 2010 - 09:56:27 PST)
- [AMBER-Developers] PMEMD missing type? Ben Roberts (Fri Mar 05 2010 - 11:58:49 PST)
- [AMBER-Developers] CVS Tree Locked Ross Walker (Fri Mar 05 2010 - 18:51:44 PST)
- [AMBER-Developers] CVS Tree fixed Ross Walker (Fri Mar 05 2010 - 21:14:19 PST)
- [AMBER-Developers] pmemd.cuda errors Jason Swails (Sat Mar 06 2010 - 07:54:14 PST)
- [AMBER-Developers] proposed timetable for CVS shutdown case (Sat Mar 06 2010 - 09:17:11 PST)
- [AMBER-Developers] CUDA 3.0 Release candidate Ross Walker (Sat Mar 06 2010 - 09:38:32 PST)
- [AMBER-Developers] New CVS restrictions case (Tue Mar 09 2010 - 05:26:16 PST)
- [AMBER-Developers] MMPBSA_PY compilation depends on python, not checked for in configuration Daniel Roe (Tue Mar 09 2010 - 10:00:01 PST)
- [AMBER-Developers] sh conformity in configure Jason Swails (Tue Mar 09 2010 - 11:56:13 PST)
- [AMBER-Developers] ambertools nab test failure Jason Swails (Tue Mar 09 2010 - 14:44:12 PST)
- [AMBER-Developers] Sander Makefile patch Ben Roberts (Tue Mar 09 2010 - 15:28:09 PST)
- [AMBER-Developers] Current amber CVS test fails Mark Williamson (Wed Mar 10 2010 - 07:11:50 PST)
- [AMBER-Developers] more on pme_setup problem case (Wed Mar 10 2010 - 08:12:47 PST)
- [AMBER-Developers] pmemd.cuda errors (run-time, not compilation) Jason Swails (Wed Mar 10 2010 - 08:54:46 PST)
- [AMBER-Developers] solution (!?!) to the pme_setup problem? case (Wed Mar 10 2010 - 09:24:14 PST)
- [AMBER-Developers] Intel Terminology... Ross Walker (Wed Mar 10 2010 - 09:32:10 PST)
- [AMBER-Developers] AT compilation error InSuk Joung (Wed Mar 10 2010 - 11:02:12 PST)
- [AMBER-Developers] Automatically detecting 32 bit compiles in configure Ross Walker (Thu Mar 11 2010 - 10:25:55 PST)
- [AMBER-Developers] small dumb bug (and fix) Jason Swails (Thu Mar 11 2010 - 20:37:26 PST)
- [AMBER-Developers] documentation Sally Pias (Fri Mar 12 2010 - 11:41:22 PST)
- [AMBER-Developers] First AmberTools release candidate case (Tue Mar 16 2010 - 09:56:43 PDT)
- [AMBER-Developers] malloc error when freeing pointer in CVS ptraj Ben Roberts (Tue Mar 16 2010 - 12:49:20 PDT)
- [AMBER-Developers] Quick ptraj doc question - closest vs. closestwater? Ben Roberts (Tue Mar 16 2010 - 14:55:41 PDT)
- Re: [AMBER-Developers] infinite ptraj.MPI, was: First AmberTools release candidate Lachele Foley (Tue Mar 16 2010 - 17:05:15 PDT)
- [AMBER-Developers] Attn: sleap developer(s) - doesn't like solvateCap? Ben Roberts (Tue Mar 16 2010 - 17:48:41 PDT)
- Re: [AMBER-Developers] infinite ptraj.MPI, was: First AmberTools release candidate Lachele Foley (Tue Mar 16 2010 - 18:54:41 PDT)
- Re: [AMBER-Developers] infinite ptraj.MPI, was: First AmberTools release candidate Lachele Foley (Wed Mar 17 2010 - 06:10:11 PDT)
- [AMBER-Developers] Another sleap complaint - Assertion failed Ben Roberts (Wed Mar 17 2010 - 12:24:52 PDT)
- [AMBER-Developers] namelist Carlos Simmerling (Wed Mar 17 2010 - 14:09:10 PDT)
- [AMBER-Developers] testing question Sally Pias (Thu Mar 18 2010 - 12:05:07 PDT)
- [AMBER-Developers] cuda and sp/dp question Jason Swails (Thu Mar 18 2010 - 12:30:11 PDT)
- [AMBER-Developers] User of AMBERHOME in AMBER tests Ross Walker (Thu Mar 18 2010 - 14:27:06 PDT)
- [AMBER-Developers] CUBE.dat and DISP.CHEK in DFTB Ross Walker (Thu Mar 18 2010 - 15:01:23 PDT)
- [AMBER-Developers] long path names Eric Pettersen (Thu Mar 18 2010 - 16:27:46 PDT)
- [AMBER-Developers] finding intel libraries case (Thu Mar 18 2010 - 16:56:57 PDT)
- [AMBER-Developers] Minimisation with XMIN: Restart and trajectory files Ben Roberts (Fri Mar 19 2010 - 08:47:10 PDT)
- [AMBER-Developers] Updates to the ener() array. Mark Williamson (Fri Mar 19 2010 - 11:07:42 PDT)
- [AMBER-Developers] encouraging users to consult the test cases as examples case (Sat Mar 20 2010 - 10:25:29 PDT)
- [AMBER-Developers] getting there(!?!) case (Sat Mar 20 2010 - 11:07:00 PDT)
- [AMBER-Developers] Parallel Test Failures Daniel Roe (Sat Mar 20 2010 - 11:37:27 PDT)
- [AMBER-Developers] sander.APBS broken Jason Swails (Sun Mar 21 2010 - 11:52:30 PDT)
- [AMBER-Developers] AmberTools.lyx vs AmberTools.pdf Timothy J Giese (Tue Mar 23 2010 - 13:14:59 PDT)
- [AMBER-Developers] major snafu with AmberTools.lyx case (Tue Mar 23 2010 - 16:55:56 PDT)
- [AMBER-Developers] Test cases commented out. Ross Walker (Wed Mar 24 2010 - 09:59:16 PDT)
- [AMBER-Developers] Current parallel test failures in the tree Ross Walker (Wed Mar 24 2010 - 12:15:01 PDT)
- [AMBER-Developers] ifcap and GB - potential problem? Ben Roberts (Wed Mar 24 2010 - 15:41:36 PDT)
- [AMBER-Developers] Fwd: sleap help InSuk Joung (Thu Mar 25 2010 - 11:10:21 PDT)
- [AMBER-Developers] test results on wiki Scott Brozell (Fri Mar 26 2010 - 00:20:24 PDT)
- [AMBER-Developers] Parallel RISM on Cygwin Daniel Roe (Fri Mar 26 2010 - 07:25:59 PDT)
- [AMBER-Developers] parallel compile error InSuk Joung (Fri Mar 26 2010 - 10:40:59 PDT)
- [AMBER-Developers] CHAMBER string lengths Tyler Luchko (Fri Mar 26 2010 - 13:08:12 PDT)
- [AMBER-Developers] state.f and debug.f Tyler Luchko (Fri Mar 26 2010 - 14:57:32 PDT)
- [AMBER-Developers] Help with NVIDIA Compilation using ifort Ross Walker (Fri Mar 26 2010 - 15:49:14 PDT)
- [AMBER-Developers] AT serial compile error InSuk Joung (Sat Mar 27 2010 - 07:57:13 PDT)
- [AMBER-Developers] 28 Mar release candidates for Amber11/AmberTools-1.4 case (Sun Mar 28 2010 - 19:52:36 PDT)
- [AMBER-Developers] mmpbsa tests (perl and python) case (Mon Mar 29 2010 - 08:56:42 PDT)
- [AMBER-Developers] more on mmpbsa_py test failures case (Mon Mar 29 2010 - 12:26:19 PDT)
- [AMBER-Developers] Patches to make PUPIL work Ben Roberts (Mon Mar 29 2010 - 12:46:56 PDT)
- [AMBER-Developers] ptraj issue Jason Swails (Mon Mar 29 2010 - 13:57:35 PDT)
- [AMBER-Developers] citation updates needed case (Tue Mar 30 2010 - 09:27:10 PDT)
- [Fwd: Re: [AMBER-Developers] 28 Mar release candidates for Amber11/AmberTools-1.4] Mark Williamson (Tue Mar 30 2010 - 12:56:02 PDT)
- [AMBER-Developers] Clean target broken in Release candidate + other issues. Ross Walker (Tue Mar 30 2010 - 19:35:11 PDT)
- [AMBER-Developers] sleap problem InSuk Joung (Wed Mar 31 2010 - 16:33:47 PDT)
- [AMBER-Developers] 31 March release candidates for Amber case (Thu Apr 01 2010 - 05:34:27 PDT)
- [AMBER-Developers] compilation issues with RC 3/31 Jason Swails (Thu Apr 01 2010 - 12:55:57 PDT)
- [AMBER-Developers] EVB test errors Daniel Roe (Thu Apr 01 2010 - 15:18:32 PDT)
- [AMBER-Developers] Error counting in test scripts Ben Roberts (Thu Apr 01 2010 - 16:55:56 PDT)
- [AMBER-Developers] Configure and Ubuntu Ross Walker (Fri Apr 02 2010 - 08:39:19 PDT)
- [AMBER-Developers] problem installing pmemd.cuda Jason Swails (Fri Apr 02 2010 - 14:14:13 PDT)
- [AMBER-Developers] RE: candidate amber 11 from 3/31: problem with pmemd.cuda? Ross Walker (Mon Apr 05 2010 - 13:03:08 PDT)
- [AMBER-Developers] Problems with PGF90 Ross Walker (Mon Apr 05 2010 - 13:33:12 PDT)
- [AMBER-Developers] Problems building sander.RISM.MPI Ross Walker (Tue Apr 06 2010 - 16:06:27 PDT)
- [AMBER-Developers] Problems compiling on Ranger. Ross Walker (Wed Apr 07 2010 - 13:37:45 PDT)
- [AMBER-Developers] sander_pbsa_* test cases update Mengjuei Hsieh (Wed Apr 07 2010 - 15:58:39 PDT)
- [AMBER-Developers] false test failures Sally Pias (Wed Apr 07 2010 - 23:58:56 PDT)
- [AMBER-Developers] jar error opensuse 11.1 Thorsten M Woelfle (Thu Apr 08 2010 - 16:15:20 PDT)
- [AMBER-Developers] Crunch time for Amber11/AmberTools-1.4 release case (Fri Apr 09 2010 - 05:10:18 PDT)
- [AMBER-Developers] AmberTools configure failure and compilation errors Sally Pias (Sat Apr 10 2010 - 23:28:01 PDT)
- [AMBER-Developers] near-final testing case (Mon Apr 12 2010 - 06:04:32 PDT)
- [AMBER-Developers] Minor parallel NAB issue Lachele Foley (Mon Apr 12 2010 - 13:19:55 PDT)
- [AMBER-Developers] Amber10 Cuda compile failure Mark Williamson (Mon Apr 12 2010 - 15:23:57 PDT)
- [AMBER-Developers] ig = -1 Adrian Roitberg (Tue Apr 13 2010 - 06:42:01 PDT)
- [AMBER-Developers] gcc 4.4.0 amber parallel tests case (Tue Apr 13 2010 - 10:03:38 PDT)
- [AMBER-Developers] Issues with MPICH-1.2.1p1 Ross Walker (Tue Apr 13 2010 - 16:12:01 PDT)
- [AMBER-Developers] final (!?!) release candidate for Amber11 David A. Case (Wed Apr 14 2010 - 13:11:04 PDT)
- [AMBER-Developers] [Fwd: Re: [mpich-discuss] MPICH2 with MPI-1 code] Mark Williamson (Wed Apr 14 2010 - 13:36:10 PDT)
- [AMBER-Developers] cygwin memory limit (was Re: near-final testing) Mengjuei Hsieh (Thu Apr 15 2010 - 18:38:57 PDT)
- [AMBER-Developers] Suggestions for dealing with mpich2-1.2.1p1 Ross Walker (Thu Apr 15 2010 - 21:09:28 PDT)
- [AMBER-Developers] Slideshow: A Cretaceous Menagerie Preserved in Amber Gustavo Seabra (Fri Apr 16 2010 - 07:41:04 PDT)
- [AMBER-Developers] problem with MMPBSA.py (and patch) Jason Swails (Sat Apr 17 2010 - 07:11:06 PDT)
- [AMBER-Developers] release plans David A. Case (Sun Apr 18 2010 - 02:11:19 PDT)
- [AMBER-Developers] MPICH2 testing and configure_mpich2 Tyler Luchko (Tue Apr 20 2010 - 08:17:05 PDT)
- [AMBER-Developers] two more tasks for the amber11 release David A. Case (Wed Apr 21 2010 - 02:20:58 PDT)
- Re: [AMBER-Developers] release plans - one source of error found Andreas Svrcek-Seiler (Wed Apr 21 2010 - 07:00:48 PDT)
- [AMBER-Developers] numprocs.awk problem David A. Case (Wed Apr 21 2010 - 10:01:04 PDT)
- [AMBER-Developers] [Low Priority] Patch for PowerPC Mac Mengjuei Hsieh (Thu Apr 22 2010 - 17:03:26 PDT)
- [AMBER-Developers] decpr and TI decomp Carlos Simmerling (Fri Apr 23 2010 - 08:10:59 PDT)
- [AMBER-Developers] Some addition to documentation of PBSA. MengJuei Hsieh (Fri Apr 23 2010 - 16:42:05 PDT)
- [AMBER-Developers] Windows native executable, bin and exe directories, symbolic link Andreas Goetz (Sat Apr 24 2010 - 00:03:59 PDT)
- [AMBER-Developers] looking for the AmberTools-1.2.tar.bz2 file case (Wed Apr 28 2010 - 09:24:58 PDT)
- [AMBER-Developers] never mind about AmberTools-1.2 case (Wed Apr 28 2010 - 09:26:15 PDT)
- [AMBER-Developers] Intel Compiler on Mac OS X 10.6 and nab PBSA MengJuei Hsieh (Tue May 04 2010 - 16:35:46 PDT)
- [AMBER-Developers] XMIN and writing restart and trajectory files Ben Roberts (Fri May 07 2010 - 10:17:24 PDT)
- [AMBER-Developers] sander.MPI tests randomly stall in Ubuntu 9.10 Gustavo Seabra (Fri May 07 2010 - 11:14:54 PDT)
- [AMBER-Developers] New Patch Procedures... Lachele Foley (Tue May 11 2010 - 08:55:17 PDT)
- [AMBER-Developers] Re: [AMBER] NTT=3 or NTT=1 Robert Duke (Wed May 12 2010 - 08:22:45 PDT)
- [AMBER-Developers] Re: [AMBER] NTT=3 or NTT=1 Robert Duke (Wed May 12 2010 - 08:37:06 PDT)
- [AMBER-Developers] alternalte compilers Lachele Foley (Wed May 12 2010 - 11:37:46 PDT)
- [AMBER-Developers] the Amber web site and the death of CVS case (Fri May 14 2010 - 07:20:52 PDT)
- [AMBER-Developers] Thoughts on OpenMPI+Intel Compilers under 10.6 MacOSX Mengjuei Hsieh (Mon May 17 2010 - 01:27:49 PDT)
- [AMBER-Developers] amber_web git repo Jason Swails (Tue May 18 2010 - 10:38:36 PDT)
- [AMBER-Developers] git commit/push access Jason Swails (Fri May 21 2010 - 11:55:07 PDT)
- [AMBER-Developers] divcon in amber11 Jason Swails (Tue May 25 2010 - 09:07:55 PDT)
- [AMBER-Developers] sleap bug Jason Swails (Tue May 25 2010 - 10:58:34 PDT)
- [AMBER-Developers] Docs don't pass AntiVirus scan Lachele Foley (Tue May 25 2010 - 18:11:17 PDT)
- [AMBER-Developers] LeAP's memcpy and strcpy MengJuei Hsieh (Thu May 27 2010 - 01:59:27 PDT)
- [AMBER-Developers] Semi-important Ptraj Patch Daniel Roe (Thu May 27 2010 - 13:33:04 PDT)
- [AMBER-Developers] Amoeba on sleap MengJuei Hsieh (Fri Jun 04 2010 - 17:50:43 PDT)
- [AMBER-Developers] Test, please ignore Mark Williamson (Wed Jun 09 2010 - 16:48:50 PDT)
- [AMBER-Developers] Patch to sander/pmemd.amba for Amoeba Metal Ion Capability MengJuei Hsieh (Mon Jun 14 2010 - 19:02:06 PDT)
- [AMBER-Developers] git.ambermd.org Mark Williamson (Fri Jun 18 2010 - 20:39:56 PDT)
- [AMBER-Developers] Amber website Ross Walker (Wed Jul 07 2010 - 09:17:20 PDT)
- [AMBER-Developers] Write git access and the wiki? Ben Roberts (Thu Jul 08 2010 - 14:34:48 PDT)
- [AMBER-Developers] [jebnor.gmail.com: Re: [AMBER] OpenMP programs] case (Fri Jul 09 2010 - 05:44:01 PDT)
- [AMBER-Developers] Website patches Ben Roberts (Mon Jul 12 2010 - 09:09:00 PDT)
- [AMBER-Developers] Patches for sander.PUPIL Ben Roberts (Mon Jul 12 2010 - 10:33:46 PDT)
- [AMBER-Developers] bugfix: PBSA's maximum numbers MengJuei Hsieh (Fri Jul 16 2010 - 00:12:54 PDT)
- Re: [AMBER-Developers] [AMBER] AmberTools citation case (Mon Jul 19 2010 - 04:26:52 PDT)
- [AMBER-Developers] Some notes on desmond case (Wed Jul 21 2010 - 06:09:53 PDT)
- Re: [AMBER-Developers] [AMBER] pmemd amber10 compilation error Ross Walker (Thu Jul 22 2010 - 07:58:20 PDT)
- [AMBER-Developers] some changes to the Amber web page case (Thu Jul 22 2010 - 13:21:44 PDT)
- [AMBER-Developers] Fwd: [AMBER] make test trouble with Amber11 Daniel Roe (Tue Jul 27 2010 - 06:04:40 PDT)
- [AMBER-Developers] antechamber generated mol2 fails to load in leap Andreas Goetz (Tue Jul 27 2010 - 18:17:06 PDT)
- [AMBER-Developers] mm_pbsa fix Thorsten M Woelfle (Thu Jul 29 2010 - 13:34:11 PDT)
- [AMBER-Developers] NAB dihedral routine InSuk Joung (Thu Jul 29 2010 - 15:26:15 PDT)
- [AMBER-Developers] FW: mm_pbsa fix Ross Walker (Thu Jul 29 2010 - 18:55:19 PDT)
- [AMBER-Developers] iwrap in sander case (Sat Jul 31 2010 - 14:57:02 PDT)
- [AMBER-Developers] Is PGI + mpi built statically by default? Lachele Foley (Mon Aug 02 2010 - 10:37:58 PDT)
- [AMBER-Developers] AMBER11: CX atom type (in ff10) translated differently in tleap PDB output Yi Shang (Mon Aug 02 2010 - 11:46:23 PDT)
- [AMBER-Developers] PGI compilers Lachele Foley (Tue Aug 03 2010 - 07:51:29 PDT)
- [AMBER-Developers] mme and mme2 energies are different InSuk Joung (Sat Aug 14 2010 - 19:15:09 PDT)
- [AMBER-Developers] exe to bin Ben Roberts (Tue Aug 17 2010 - 12:59:11 PDT)
- [AMBER-Developers] dacdif Ben Roberts (Thu Aug 19 2010 - 06:55:53 PDT)
- [AMBER-Developers] AUTO: Ruzhu Chen/Poughkeepsie/IBM is out of the office until 8/20/2010. (returning 08/20/2010) Ruzhu Chen (Thu Aug 19 2010 - 07:35:30 PDT)
- [AMBER-Developers] ndvptx() and type mismatch Ben Roberts (Thu Aug 19 2010 - 13:07:18 PDT)
- [AMBER-Developers] beta of pmemd.cuda.MPI available in git tree Ross Walker (Fri Aug 20 2010 - 18:32:22 PDT)
- [AMBER-Developers] pretty severe bug in Amber11 pmemd Makefile? case (Tue Aug 24 2010 - 12:10:40 PDT)
- [AMBER-Developers] first parallel benchmarks (jac) for GPU, S1070 box case (Tue Aug 24 2010 - 12:45:19 PDT)
- [AMBER-Developers] bug fix protocol Jason Swails (Tue Aug 31 2010 - 07:00:40 PDT)
- [AMBER-Developers] configure and makefile questions Ben Roberts (Tue Aug 31 2010 - 09:13:29 PDT)
- [AMBER-Developers] spaces in AMBERHOME Eric Pettersen (Thu Sep 02 2010 - 17:09:11 PDT)
- [AMBER-Developers] testing amber11 on blue gene Sally Pias (Fri Sep 03 2010 - 10:54:18 PDT)
- [AMBER-Developers] Developers' Meeting Lachele Foley (Mon Sep 13 2010 - 08:38:47 PDT)
- [AMBER-Developers] Dihedrals Jason Swails (Tue Sep 14 2010 - 12:44:39 PDT)
- [AMBER-Developers] Note on git-new-workdir case (Wed Sep 22 2010 - 07:36:32 PDT)
- [AMBER-Developers] Warning: Close contact Scott Brozell (Thu Sep 23 2010 - 01:22:43 PDT)
- [AMBER-Developers] Ross's achievement Adrian Roitberg (Thu Sep 23 2010 - 06:28:27 PDT)
- [AMBER-Developers] Ross's achievement Adrian Roitberg (Thu Sep 23 2010 - 06:28:35 PDT)
- [AMBER-Developers] intent (in/out) Jason Swails (Fri Sep 24 2010 - 07:42:00 PDT)
- [AMBER-Developers] misused intent(out) Jason Swails (Wed Sep 29 2010 - 12:14:00 PDT)
- [AMBER-Developers] Getting ready for release of MPI GPU code Ross Walker (Fri Oct 01 2010 - 13:31:20 PDT)
- [AMBER-Developers] iargc, has not been explicitly declared (calcpka.f90: 114) Gustavo Seabra (Wed Oct 06 2010 - 06:59:55 PDT)
- [AMBER-Developers] FW: Developers' Meeting in March B. Lachele Foley (Mon Oct 11 2010 - 07:50:09 PDT)
- [AMBER-Developers] Units of pressure Ben Roberts (Mon Oct 11 2010 - 10:25:43 PDT)
- [AMBER-Developers] constants and constants.f Jason Swails (Mon Oct 11 2010 - 11:09:43 PDT)
- [AMBER-Developers] sqm/sander shared files Jason Swails (Mon Oct 11 2010 - 12:51:45 PDT)
- [AMBER-Developers] parallel AT compile failure Jason Swails (Wed Oct 13 2010 - 07:06:41 PDT)
- [AMBER-Developers] Python request B. Lachele Foley (Fri Oct 15 2010 - 08:23:43 PDT)
- [AMBER-Developers] Testing Server B. Lachele Foley (Sat Oct 16 2010 - 08:32:20 PDT)
- [AMBER-Developers] Testing of Multi-GPU patch for AMBER 11 Ross Walker (Sat Oct 16 2010 - 20:27:44 PDT)
- [AMBER-Developers] Tzy-hwa K Tzeng is out of the office. Tzy-hwa K Tzeng (Thu Oct 21 2010 - 13:23:45 PDT)
- [AMBER-Developers] ncsu hooks Yannick SPILL (Fri Oct 22 2010 - 07:31:29 PDT)
- [AMBER-Developers] Testing of Multi-GPU patch for AMBER 11 (UPDATED) Ross Walker (Fri Oct 22 2010 - 15:02:56 PDT)
- [AMBER-Developers] compile failure on cray xt4 Jason Swails (Wed Nov 03 2010 - 16:02:23 PDT)
- [AMBER-Developers] pbsa makefile Scott Brozell (Sat Nov 06 2010 - 13:43:20 PDT)
- [AMBER-Developers] preparations for AmberTools 1.5 case (Wed Nov 10 2010 - 07:47:47 PST)
- [AMBER-Developers] wiki spam posts Scott Brozell (Wed Nov 17 2010 - 19:19:09 PST)
- [AMBER-Developers] Introducing CPPTRAJ: Trajectory analysis written in C++ Daniel Roe (Fri Nov 19 2010 - 12:47:18 PST)
- [AMBER-Developers] hanging test Jason Swails (Tue Nov 23 2010 - 20:38:43 PST)
- [AMBER-Developers] qmmm_struct_module.f is f2003 Scott Brozell (Fri Nov 26 2010 - 12:00:16 PST)
- [AMBER-Developers] pmemd.cuda.MPI error Bill Miller III (Fri Dec 03 2010 - 13:38:56 PST)
- [AMBER-Developers] make serial compile error B. Lachele Foley (Sat Dec 04 2010 - 11:21:45 PST)
- [AMBER-Developers] more pmemd.cuda.MPI issues Jason Swails (Sat Dec 04 2010 - 15:21:18 PST)
- [AMBER-Developers] PMEMD.cuda build issue with amber11 branch Daniel Roe (Tue Dec 07 2010 - 16:31:21 PST)
- [AMBER-Developers] Some comments on git branches case (Fri Dec 10 2010 - 06:49:31 PST)
- [AMBER-Developers] GAMESS input case (Mon Dec 20 2010 - 20:25:10 PST)
- [AMBER-Developers] problem of gnu compiler InSuk Joung (Tue Dec 21 2010 - 10:35:34 PST)
- [AMBER-Developers] current git checkout fails to compile Jason Swails (Tue Dec 21 2010 - 11:02:20 PST)
- [AMBER-Developers] 500 licenses for Amber11 case (Wed Dec 29 2010 - 07:26:39 PST)
- [AMBER-Developers] Tzy-hwa K Tzeng is out of the office. Tzy-hwa K Tzeng (Wed Dec 29 2010 - 10:39:07 PST)
- [AMBER-Developers] Cpptraj added to AmberTools build Daniel Roe (Thu Dec 30 2010 - 11:35:56 PST)
- [AMBER-Developers] getting ready for AmberTools 1.5 case (Wed Jan 05 2011 - 06:13:15 PST)
- [AMBER-Developers] netcdf restart files? B. Lachele Foley (Wed Jan 05 2011 - 15:35:48 PST)
- [AMBER-Developers] amber11.lyx Jason Swails (Thu Jan 06 2011 - 10:24:08 PST)
- [AMBER-Developers] Questions about tutorial pages for MMPBSA.py Mengjuei Hsieh (Fri Jan 07 2011 - 02:14:52 PST)
- [AMBER-Developers] building issues with cray systems (really just PGI compilers?) Jason Swails (Mon Jan 10 2011 - 13:44:55 PST)
- [AMBER-Developers] Fun with ntx, irest, and init Daniel Roe (Tue Jan 11 2011 - 14:49:06 PST)
- [AMBER-Developers] Do we need two versions of FFTW? Mark Williamson (Wed Jan 12 2011 - 03:33:49 PST)
- [AMBER-Developers] [bap.legrand.gmail.com: [AMBER] Can we load rst files in leap?] David A. Case (Wed Jan 12 2011 - 12:19:31 PST)
- [AMBER-Developers] sander/getcor.f Mengjuei Hsieh (Thu Jan 13 2011 - 18:49:32 PST)
- [AMBER-Developers] problem compiling mtkpp on MacOSX case (Sat Jan 15 2011 - 14:36:34 PST)
- [AMBER-Developers] sqm success/failure on ANP Eric Pettersen (Tue Jan 18 2011 - 11:54:11 PST)
- [AMBER-Developers] failures in building parallel amber Jason Swails (Tue Jan 18 2011 - 12:07:28 PST)
- [AMBER-Developers] segfault with PBSA decomp Jason Swails (Tue Jan 18 2011 - 17:49:48 PST)
- [AMBER-Developers] Amber test concerns Jason Swails (Wed Jan 19 2011 - 15:12:27 PST)
- [AMBER-Developers] deadlines for AmberTools version 1.5 case (Thu Jan 20 2011 - 08:29:39 PST)
- [AMBER-Developers] XMIN minimisation and coordinates Ben Roberts (Thu Jan 20 2011 - 13:59:08 PST)
- [AMBER-Developers] code bloat in AmberTools? case (Sat Jan 22 2011 - 07:10:47 PST)
- [AMBER-Developers] Dealing with compiler warnings, etc. Ben Roberts (Tue Jan 25 2011 - 06:29:44 PST)
- [AMBER-Developers] 27,28 antechamber/CONNECT.TPL Scott Brozell (Sat Jan 29 2011 - 22:56:59 PST)
- [AMBER-Developers] MTKPP dependency on zlib Daniel Roe (Mon Jan 31 2011 - 12:36:16 PST)
- [AMBER-Developers] Flags for intel v12 compilers Daniel Roe (Wed Feb 02 2011 - 15:49:43 PST)
- [AMBER-Developers] MSMbuilder Adrian Roitberg (Thu Feb 03 2011 - 01:39:44 PST)
- [AMBER-Developers] serious citrus situation in AmberTools case (Thu Feb 03 2011 - 11:54:31 PST)
- [AMBER-Developers] parm.dat formatting does not match what is written in the "AMBER file format" webpage Mark (Mon Feb 07 2011 - 01:36:54 PST)
- Re: [AMBER-Developers] [CVS-notification] [GIT] git repository for AMBER: RCW: Create test cases for zero_mask. Fix segfault when zero_mask is blank. case (Mon Feb 07 2011 - 04:53:06 PST)
- [AMBER-Developers] numprocs test and hpmpi B. Lachele Foley (Tue Feb 08 2011 - 10:36:42 PST)
- [AMBER-Developers] AMBER specific GPU Test Drive Ross Walker (Tue Feb 08 2011 - 14:38:47 PST)
- [AMBER-Developers] problems with latest updates to CUDA code case (Thu Feb 10 2011 - 06:15:13 PST)
- [AMBER-Developers] more data on the new cuda code case (Thu Feb 10 2011 - 20:23:39 PST)
- [AMBER-Developers] Fwd: [CVS-notification] [GIT] git repository for AMBER: AWG: inital stab at AMBER/Gaussian interface Jason Swails (Mon Feb 14 2011 - 18:33:23 PST)
- [AMBER-Developers] Dave Case Adrian Roitberg (Tue Feb 15 2011 - 05:40:44 PST)
- [AMBER-Developers] yet more on cuda_DPDP problems case (Tue Feb 15 2011 - 17:11:59 PST)
- [AMBER-Developers] cuda test case for Scott case (Tue Feb 15 2011 - 17:14:16 PST)
- [AMBER-Developers] ICHEC Summer Scholarships 2011 Martin Peters (Wed Feb 16 2011 - 01:35:56 PST)
- [AMBER-Developers] Unsure about a possible minor typo; Ambertools 1.4 Manual; p109 Mark Williamson (Wed Feb 16 2011 - 06:25:47 PST)
- [AMBER-Developers] impact factors case (Wed Feb 16 2011 - 09:52:40 PST)
- [AMBER-Developers] config.h Jason Swails (Wed Feb 16 2011 - 11:34:42 PST)
- [AMBER-Developers] code freeze deadline case (Fri Feb 18 2011 - 04:47:23 PST)
- [AMBER-Developers] Amber vs. NAMD? case (Fri Feb 18 2011 - 04:51:03 PST)
- [AMBER-Developers] notification of GIT commits to AMBER_WEB Scott Brozell (Sun Feb 20 2011 - 18:48:04 PST)
- [AMBER-Developers] New code checked in... Scott Le Grand (Mon Feb 21 2011 - 13:50:18 PST)
- [AMBER-Developers] std=c++0x Ben Roberts (Mon Feb 21 2011 - 18:06:01 PST)
- [AMBER-Developers] Compiling AmberTools mdgx and netcdf problem steinbrt.rci.rutgers.edu (Thu Feb 24 2011 - 08:42:01 PST)
- Re: [AMBER-Developers] Compiling AmberTools mdgx and netcdf problem - solved steinbrt.rci.rutgers.edu (Thu Feb 24 2011 - 09:06:06 PST)
- [AMBER-Developers] temporary freeze of the git repository at SDSC case (Fri Feb 25 2011 - 05:05:47 PST)
- [AMBER-Developers] fftw configure oddity steinbrt.rci.rutgers.edu (Fri Feb 25 2011 - 08:42:46 PST)
- [AMBER-Developers] Should "make clean" remove ../../bin/python? Daniel Roe (Fri Feb 25 2011 - 15:06:19 PST)
- [AMBER-Developers] MPI_HOME Tyler Luchko (Mon Feb 28 2011 - 09:17:28 PST)
- [AMBER-Developers] First release candidate for AmberTools 1.5 case (Fri Mar 04 2011 - 04:34:51 PST)
- [AMBER-Developers] LyX problem: courier.sty Mengjuei Hsieh (Mon Mar 07 2011 - 18:59:35 PST)
- [AMBER-Developers] Tzy-hwa K Tzeng is out of the office. Tzy-hwa K Tzeng (Tue Mar 08 2011 - 01:07:58 PST)
- [AMBER-Developers] problems with latest cuda David A Case (Wed Mar 09 2011 - 07:32:35 PST)
- [AMBER-Developers] force field help needed David A Case (Wed Mar 09 2011 - 08:06:11 PST)
- [AMBER-Developers] Dihedral Force Constants B. Lachele Foley (Wed Mar 09 2011 - 12:36:33 PST)
- [AMBER-Developers] Amber paper citations Carlos Simmerling (Wed Mar 09 2011 - 15:37:55 PST)
- Re: [AMBER-Developers] netcdf restart files Daniel Roe (Wed Mar 09 2011 - 17:21:39 PST)
- [AMBER-Developers] amber11-with-patches Jason Swails (Wed Mar 09 2011 - 20:06:23 PST)
- [AMBER-Developers] Quick Netcdf Restart update Daniel Roe (Wed Mar 09 2011 - 20:06:57 PST)
- [AMBER-Developers] sqm and AmberTools 1.5 David A Case (Thu Mar 10 2011 - 08:00:05 PST)
- [AMBER-Developers] new git branch; reopening SDSC repository David A Case (Thu Mar 10 2011 - 09:36:13 PST)
- [AMBER-Developers] bugfixes to NPRO in ff03 for at14 and a11 Mengjuei Hsieh (Thu Mar 10 2011 - 12:08:53 PST)
- [AMBER-Developers] sander.RISM.MPI compiling error Bill Miller III (Fri Mar 11 2011 - 10:23:45 PST)
- [AMBER-Developers] Fwd: [AMBER] how to obtain 4x4x1.1nm water; how to add polarizable models Daniel Roe (Mon Mar 14 2011 - 06:01:14 PDT)
- [AMBER-Developers] bugs in ptraj/transformSecondaryStruct and transformWatershell Hannes Loeffler (Mon Mar 14 2011 - 08:44:20 PDT)
- [AMBER-Developers] chamber updates David A Case (Mon Mar 14 2011 - 10:28:51 PDT)
- [AMBER-Developers] Second release candidate for AmberTools 1.5 David A Case (Mon Mar 14 2011 - 12:03:51 PDT)
- Re: [AMBER-Developers] CCL: Chemical Computing Group Announces Winners of the CCG Excellence Award case (Fri Mar 18 2011 - 14:22:50 PDT)
- [AMBER-Developers] Some minor issue on Mac OS X 10.4 w/ RC2 MengJuei Hsieh (Fri Mar 18 2011 - 17:02:08 PDT)
- [AMBER-Developers] questions about gem case (Mon Mar 21 2011 - 14:53:13 PDT)
- [AMBER-Developers] LyX fixes: couriers.sty and RHEL B. Lachele Foley (Fri Mar 25 2011 - 06:54:58 PDT)
- [AMBER-Developers] question about random generator Jason Swails (Sat Mar 26 2011 - 21:11:14 PDT)
- [AMBER-Developers] Third release candidate for AmberTools 1.5 case (Sun Mar 27 2011 - 04:39:37 PDT)
- [AMBER-Developers] Fwd: [CVS-notification] [GIT] git repository for AMBER: Recent .gitignore rules broke the automated tests. Jason Swails (Sun Mar 27 2011 - 10:16:58 PDT)
- [AMBER-Developers] AmberTools.pdf Jason Swails (Sun Mar 27 2011 - 10:31:31 PDT)
- [AMBER-Developers] git merging feature Jason Swails (Mon Mar 28 2011 - 11:50:08 PDT)
- [AMBER-Developers] A treatise on the unfortunate side-effects of the obliteration of MPI_HOME Jason Swails (Tue Mar 29 2011 - 20:21:57 PDT)
- [AMBER-Developers] minor but troubling aspect of improper torsions in Amber force fields case (Wed Mar 30 2011 - 06:43:24 PDT)
- [AMBER-Developers] Problems in sleap Ben Roberts (Wed Mar 30 2011 - 13:42:51 PDT)
- [AMBER-Developers] new thermostat David A Case (Fri Apr 01 2011 - 05:13:01 PDT)
- [AMBER-Developers] Spelling in Manual B. Lachele Foley (Fri Apr 01 2011 - 13:21:57 PDT)
- [AMBER-Developers] Final call for contributions to AmberTools 1.5 David A Case (Tue Apr 05 2011 - 06:49:21 PDT)
- [AMBER-Developers] problems with QM/MM energy conservation David A Case (Tue Apr 05 2011 - 07:21:35 PDT)
- [AMBER-Developers] Tzy-hwa K Tzeng is out of the office. Tzy-hwa K Tzeng (Tue Apr 05 2011 - 09:12:49 PDT)
- [AMBER-Developers] variable 1-4 scaling Jason Swails (Tue Apr 05 2011 - 17:42:01 PDT)
- [AMBER-Developers] file docs: was variable 1-4 scaling B. Lachele Foley (Wed Apr 06 2011 - 10:43:46 PDT)
- [AMBER-Developers] multi-pmemd David A Case (Thu Apr 07 2011 - 06:35:18 PDT)
- [AMBER-Developers] multi-pmemd Ross Walker (Thu Apr 07 2011 - 08:01:58 PDT)
- Re: [AMBER-Developers] AT1.5 5apr11 David A Case (Thu Apr 07 2011 - 09:31:46 PDT)
- [AMBER-Developers] AMBERHOME and configure Jason Swails (Fri Apr 08 2011 - 09:10:46 PDT)
- [AMBER-Developers] Problems with sleap and iwrap Ross Walker (Fri Apr 08 2011 - 09:58:59 PDT)
- [AMBER-Developers] Removal of -gpu option in AMBER Git Tree Ross Walker (Fri Apr 08 2011 - 10:03:14 PDT)
- [AMBER-Developers] Fwd: [CVS-notification] [GIT] git repository for AMBER: eliminate a pause statement Jason Swails (Sat Apr 09 2011 - 09:58:05 PDT)
- [AMBER-Developers] final (!?!) release candidate for AmberTools1.5 case (Sun Apr 10 2011 - 10:59:18 PDT)
- [AMBER-Developers] sleap bug repro Jason Swails (Mon Apr 11 2011 - 15:40:21 PDT)
- [AMBER-Developers] files.h Jason Swails (Tue Apr 12 2011 - 10:43:10 PDT)
- [AMBER-Developers] AT 1.5 RC Sleap, Rism, and pbsa test failures under Cygwin Daniel Roe (Wed Apr 13 2011 - 09:13:13 PDT)
- [AMBER-Developers] Release of AmberTools version 1.5 David A Case (Thu Apr 14 2011 - 09:10:54 PDT)
- [AMBER-Developers] Fwd: [CVS-notification] [GIT] git repository for AMBER: Jason Swails (Thu Apr 14 2011 - 10:22:51 PDT)
- [AMBER-Developers] followup on sander.RISM build failure Jason Swails (Fri Apr 15 2011 - 00:10:48 PDT)
- Re: [AMBER-Developers] [AMBER] pmemd.cuda crashes due to "Inconsistent hydrogen network" David A Case (Fri Apr 15 2011 - 10:42:55 PDT)
- [AMBER-Developers] AmberTools 1.5 first bug Jason Swails (Fri Apr 15 2011 - 17:43:20 PDT)
- [AMBER-Developers] recommended compilers for MacOSX David A Case (Tue Apr 19 2011 - 13:03:52 PDT)
- [AMBER-Developers] Bound copies of the 1.5 Users' Manual are now available case (Fri Apr 22 2011 - 18:55:09 PDT)
- [AMBER-Developers] force field naming Carlos Simmerling (Thu Apr 28 2011 - 12:45:48 PDT)
- [AMBER-Developers] alternates to sleap (plus new sleap bug) B. Lachele Foley (Thu Apr 28 2011 - 14:47:06 PDT)
- Re: [AMBER-Developers] [AMBER] compile errors with AmberTools1.5 + Amber11 Jason Swails (Fri Apr 29 2011 - 13:28:27 PDT)
- [AMBER-Developers] Gfortran 4.1 with master branch MengJuei Hsieh (Fri Apr 29 2011 - 13:47:30 PDT)
- [AMBER-Developers] SQM building problem. MengJuei Hsieh (Fri Apr 29 2011 - 15:48:20 PDT)
- [AMBER-Developers] Improper rules B. Lachele Foley (Mon May 02 2011 - 12:36:29 PDT)
- [AMBER-Developers] more good amber news ! Adrian Roitberg (Tue May 03 2011 - 02:33:25 PDT)
- [AMBER-Developers] hook for modify of frc() array Josh Berryman (Tue May 03 2011 - 05:47:57 PDT)
- [AMBER-Developers] git repo offline? B. Lachele Foley (Tue May 03 2011 - 07:11:06 PDT)
- [AMBER-Developers] LyX 2.0 David A Case (Mon May 09 2011 - 05:20:29 PDT)
- [AMBER-Developers] tleap with 1-4 scaling B. Lachele Foley (Mon May 09 2011 - 06:49:11 PDT)
- [AMBER-Developers] sqm build broken Jason Swails (Tue May 10 2011 - 22:46:46 PDT)
- [AMBER-Developers] constants in AMBER Andreas Goetz (Tue May 17 2011 - 19:00:47 PDT)
- [AMBER-Developers] Fwd: [AMBER] segmentation fault when running sander Jason Swails (Wed May 18 2011 - 20:33:23 PDT)
- [AMBER-Developers] Issues applying AMBER11 bugfix.all after extracting AMBERTools 1.5 Mark Williamson (Thu May 19 2011 - 02:29:22 PDT)
- [AMBER-Developers] Uppercase module filenames Mengjuei Hsieh (Thu May 19 2011 - 11:33:42 PDT)
- [AMBER-Developers] problem with SHAKE in TI for >16 cpus Jodi Ann Hadden (Mon May 23 2011 - 18:42:18 PDT)
- [AMBER-Developers] Intel AT/Automake issue B. Lachele Foley (Tue May 31 2011 - 08:52:47 PDT)
- [AMBER-Developers] point-charge environment in stand-alone sqm code? David A Case (Wed Jun 01 2011 - 04:59:19 PDT)
- [AMBER-Developers] leap error Jason Swails (Thu Jun 02 2011 - 09:45:13 PDT)
- [AMBER-Developers] Intel and At1.5/Amber11 combo (on rhel 4) B. Lachele Foley (Wed Jun 08 2011 - 13:37:40 PDT)
- [AMBER-Developers] Compilation of AMBER Tools Ross Walker (Wed Jun 08 2011 - 22:36:55 PDT)
- [AMBER-Developers] Itanium2 (speaking of older systems) B. Lachele Foley (Thu Jun 09 2011 - 19:16:55 PDT)
- Re: [AMBER-Developers] [AMBER] format error from mmpbsa.py David A Case (Mon Jun 13 2011 - 05:30:34 PDT)
- [AMBER-Developers] [jason.swails.gmail.com: redundant redundancies] case (Mon Jun 13 2011 - 19:16:45 PDT)
- Re: [AMBER-Developers] [jason.swails.gmail.com: redundantredundancies] Robert Duke (Mon Jun 13 2011 - 23:51:41 PDT)
- Re: [AMBER-Developers] [AMBER] Compile Python error David A Case (Tue Jun 14 2011 - 04:55:32 PDT)
- Re: [AMBER-Developers] [jason.swails.gmail.com:redundantredundancies] Robert Duke (Tue Jun 14 2011 - 09:48:27 PDT)
- [AMBER-Developers] AMBER 11 bugfixes? Ross Walker (Wed Jun 15 2011 - 08:24:33 PDT)
- [AMBER-Developers] AMBER Web site Ross Walker (Wed Jun 15 2011 - 08:26:17 PDT)
- [AMBER-Developers] more on pbsa with gfortran 4.6.1 David A Case (Mon Jun 20 2011 - 06:41:17 PDT)
- [AMBER-Developers] bugfixes for gcc 4.6 David A Case (Mon Jun 20 2011 - 09:35:14 PDT)
- Re: [AMBER-Developers] [AMBER] ambertools.1.5 installation errors on Linux Ben Roberts (Mon Jun 20 2011 - 11:37:27 PDT)
- [AMBER-Developers] Sander build broken in git tree? Ross Walker (Mon Jun 20 2011 - 15:59:14 PDT)
- [AMBER-Developers] new pca constraints in sander David A Case (Tue Jun 21 2011 - 04:44:15 PDT)
- [AMBER-Developers] bison, yacc, ubuntu and amber B. Lachele Foley (Mon Jun 27 2011 - 14:58:45 PDT)
- [AMBER-Developers] reading binary restart files by sander - amber 11 Piotr Cieplak (Wed Jul 06 2011 - 09:49:57 PDT)
- [AMBER-Developers] recent changes in pbsa tests? David A Case (Wed Jul 06 2011 - 12:34:18 PDT)
- [AMBER-Developers] Parallel Cpptraj with Openmp Daniel Roe (Wed Jul 06 2011 - 14:52:00 PDT)
- [AMBER-Developers] moving Amber documentation to LyX version 2 case (Sat Jul 09 2011 - 06:52:59 PDT)
- [AMBER-Developers] Some preliminary thoughts about the 2012 release David A Case (Wed Jul 13 2011 - 04:47:47 PDT)
- [AMBER-Developers] AT15_Amber11 Ross Walker (Sat Jul 16 2011 - 14:34:23 PDT)
- [AMBER-Developers] Tzy-hwa K Tzeng is out of the office. Tzy-hwa K Tzeng (Wed Jul 20 2011 - 17:26:18 PDT)
- [AMBER-Developers] Amber11 Bugfix.16 pushed. MengJuei Hsieh (Thu Jul 21 2011 - 16:01:44 PDT)
- [AMBER-Developers] Missing/Different files in Tutorial A3 MengJuei Hsieh (Fri Jul 22 2011 - 12:06:34 PDT)
- [AMBER-Developers] Phi/psi angle assignment in tutorial B5 MengJuei Hsieh (Fri Jul 22 2011 - 13:47:42 PDT)
- [AMBER-Developers] tleap 1-4 scaling concern Jason Swails (Fri Aug 12 2011 - 09:50:11 PDT)
- [AMBER-Developers] Tzy-hwa K Tzeng is out of the office. Tzy-hwa K Tzeng (Fri Aug 12 2011 - 09:52:37 PDT)
- Re: [AMBER-Developers] [AMBER] Old problem with restart Jason Swails (Tue Aug 16 2011 - 06:25:02 PDT)
- [AMBER-Developers] Xleap updates Ross Walker (Tue Aug 16 2011 - 15:17:07 PDT)
- [AMBER-Developers] AmberTools/1.5/bugfix.15 MengJuei Hsieh (Tue Aug 23 2011 - 12:17:51 PDT)
- [AMBER-Developers] Failures in the latest AT15 with bug fixes up to 15 applied Mark Williamson (Thu Sep 01 2011 - 03:10:11 PDT)
- [AMBER-Developers] git server Scott Brozell (Mon Sep 05 2011 - 13:38:29 PDT)
- [AMBER-Developers] [ross.rosswalker.co.uk: Re: [AMBER] Serial Version of libFpbsa.a] case (Sat Sep 17 2011 - 06:23:39 PDT)
- [AMBER-Developers] Survey Request - 10 minutes of your time please to help future AMBER development (http://surveys.nvidia.com/index.jsp?pi=f7d3e68a3e1b44841571e6ab4ce2f021) Ross Walker (Wed Sep 28 2011 - 22:18:23 PDT)
- [AMBER-Developers] A Parameter File Editor (that DOESN'T pipe everything through leap); parmed.py Jason Swails (Fri Sep 30 2011 - 20:25:33 PDT)
- [AMBER-Developers] A Gentle Reminder: Survey Request - 10 minutes of your time please to help future AMBER development (http://surveys.nvidia.com/index.jsp?pi=f7d3e68a3e1b44841571e6ab4ce2f021) Ross Walker (Mon Oct 03 2011 - 19:42:33 PDT)
- [AMBER-Developers] Possible Failure in Sander Test Qiantao Wang (Fri Oct 07 2011 - 12:03:11 PDT)
- [AMBER-Developers] updating Fortran files to .F/.F90 Tyler Luchko (Mon Oct 10 2011 - 12:29:36 PDT)
- [AMBER-Developers] Tzy-hwa K Tzeng is out of the office. Tzy-hwa K Tzeng (Mon Oct 10 2011 - 14:55:29 PDT)
- [AMBER-Developers] Grouping calculations together... is that what makes things go fast? dcerutti.rci.rutgers.edu (Thu Oct 20 2011 - 10:15:06 PDT)
- [AMBER-Developers] postdoc position in Amber development/drug discovery Carlos Simmerling (Thu Oct 20 2011 - 11:15:18 PDT)
- [AMBER-Developers] prmtop file format specification/documentation Timothy J Giese (Mon Oct 24 2011 - 16:19:24 PDT)
- [AMBER-Developers] (long-ish) saga about the HAS_10_12 option in sander and pmemd David A Case (Wed Oct 26 2011 - 10:41:18 PDT)
- [AMBER-Developers] Automated Build System Robin Betz (Wed Oct 26 2011 - 17:10:38 PDT)
- [AMBER-Developers] Experiences with sleap Mark Williamson (Wed Nov 02 2011 - 09:35:27 PDT)
- [AMBER-Developers] Comments from Romain Wolf about tleap David A Case (Thu Nov 03 2011 - 07:38:47 PDT)
- [AMBER-Developers] Versioning Ross Walker (Thu Nov 03 2011 - 11:22:11 PDT)
- [AMBER-Developers] git commit Jason Swails (Thu Nov 03 2011 - 20:18:45 PDT)
- Re: [AMBER-Developers] [AMBER] bashrc problems David A Case (Fri Nov 04 2011 - 12:52:46 PDT)
- [AMBER-Developers] Ground rules for discussion of Amber12 case (Fri Nov 04 2011 - 20:28:03 PDT)
- [AMBER-Developers] bug fix protocol Jason Swails (Fri Nov 04 2011 - 22:26:38 PDT)
- [AMBER-Developers] Cruise Control and Build Failures Ross Walker (Sun Nov 06 2011 - 21:00:32 PST)
- [AMBER-Developers] possible fix for NCSU problems with old gfortrans case (Mon Nov 07 2011 - 18:07:26 PST)
- [AMBER-Developers] bugfix update script Jason Swails (Mon Nov 07 2011 - 22:12:48 PST)
- [AMBER-Developers] Ptraj actions / analyze routines implemented in Cpptraj Daniel Roe (Wed Nov 09 2011 - 10:43:23 PST)
- [AMBER-Developers] Amber Wiki case (Thu Nov 10 2011 - 06:35:50 PST)
- [AMBER-Developers] significant recent tleap changes Jason Swails (Fri Nov 11 2011 - 11:54:23 PST)
- [AMBER-Developers] Testing mess... Ross Walker (Fri Nov 11 2011 - 15:57:31 PST)
- Re: [AMBER-Developers] ff11pol sample leap files case (Sat Nov 12 2011 - 07:45:32 PST)
- [AMBER-Developers] Ground rules for posting to the amber-developers mailing lists case (Sat Nov 12 2011 - 14:57:11 PST)
- [AMBER-Developers] Make -j4. Ross Walker (Sat Nov 12 2011 - 15:15:09 PST)
- [AMBER-Developers] Cruise Control Ross Walker (Sat Nov 12 2011 - 15:25:15 PST)
- [AMBER-Developers] Chirality routines in tleap; do they do the correct thing with coordination numbers >4 Mark Williamson (Thu Nov 17 2011 - 08:13:24 PST)
- [AMBER-Developers] Accuracy of the LCPO approximation David A Case (Thu Nov 17 2011 - 10:26:51 PST)
- [AMBER-Developers] new syntax for FLIBS variable in config.h David A Case (Fri Nov 18 2011 - 05:59:59 PST)
- [AMBER-Developers] Tzy-hwa K Tzeng is out of the office. Tzy-hwa K Tzeng (Fri Nov 18 2011 - 10:13:14 PST)
- [AMBER-Developers] AMBER11 bugfix #19 is broken Mark Williamson (Wed Nov 23 2011 - 05:59:41 PST)
- [AMBER-Developers] AT Manual feedback request B. Lachele Foley (Wed Nov 23 2011 - 12:18:50 PST)
- [AMBER-Developers] bug fix protocol Jason Swails (Wed Nov 23 2011 - 15:11:45 PST)
- [AMBER-Developers] Code freeze for Amber 12 coming on Dec. 24 case (Thu Nov 24 2011 - 11:31:37 PST)
- [AMBER-Developers] Amber on Live-CD? Gustavo Seabra (Tue Nov 29 2011 - 10:26:11 PST)
- [AMBER-Developers] some thoughts about sander and Amber12 David A Case (Wed Nov 30 2011 - 05:34:32 PST)
- [AMBER-Developers] Tzy-hwa K Tzeng is out of the office. Tzy-hwa K Tzeng (Tue Dec 06 2011 - 09:27:12 PST)
- Re: [AMBER-Developers] FW: [AMBER] Issue with running sander with SHAKE case (Tue Dec 06 2011 - 17:43:05 PST)
- Re: [AMBER-Developers] [AMBER] ATTN GLYCAM users: CY atom type work around case (Sat Dec 10 2011 - 06:24:11 PST)
- Re: [AMBER-Developers] Dear Professor Case, I would like to enquiry whether the current amber will still support gcc4.1.2 in the future release. Thank you. David A Case (Wed Dec 14 2011 - 08:39:24 PST)
- Re: [AMBER-Developers] Amber atom type naming (and parms) B. Lachele Foley (Wed Dec 14 2011 - 15:23:12 PST)
- [AMBER-Developers] minimizations broken in parallel Jason Swails (Wed Dec 14 2011 - 21:10:02 PST)
- [AMBER-Developers] Tzy-hwa K Tzeng is out of the office. Tzy-hwa K Tzeng (Thu Dec 15 2011 - 09:46:47 PST)
- [AMBER-Developers] [romain.wolf.gmail.com: Re: Amber atom type naming (and parms)] case (Sat Dec 17 2011 - 07:33:37 PST)
- [AMBER-Developers] NTB Jason Swails (Tue Dec 20 2011 - 14:03:27 PST)
- [AMBER-Developers] Size of the Amber12 distribution tarballs David A Case (Wed Dec 21 2011 - 10:47:43 PST)
- [AMBER-Developers] How do I ensure each MPI message a unique tag? dcerutti.rci.rutgers.edu (Fri Dec 23 2011 - 18:27:29 PST)
- [AMBER-Developers] PBSA/sander worries Jason Swails (Sat Dec 24 2011 - 20:50:27 PST)
- [AMBER-Developers] Temporary partial freeze for the amber git repo case (Mon Dec 26 2011 - 05:39:17 PST)
- [AMBER-Developers] gitosis not responding, any hints? Crowley, Michael (Thu Dec 29 2011 - 01:23:31 PST)
- [AMBER-Developers] git repo at git.ambermd.org re-opened for updates David A Case (Wed Jan 04 2012 - 06:55:30 PST)
- [AMBER-Developers] parallel QM/MM tests failing Jason Swails (Mon Jan 09 2012 - 20:52:42 PST)
- [AMBER-Developers] Problems building a rpm for Amber11 + AmberTools 1.5 Hugo R Hernandez-Mora (Wed Jan 11 2012 - 06:58:17 PST)
- [AMBER-Developers] MPI Communicator creation dcerutti.rci.rutgers.edu (Sat Jan 14 2012 - 11:21:54 PST)
- [AMBER-Developers] git branch "ff11" should no longer be used case (Sun Jan 15 2012 - 09:42:41 PST)
- [AMBER-Developers] Update to authors' list, contributors; request for artwork David A Case (Mon Jan 16 2012 - 08:09:17 PST)
- [AMBER-Developers] Are people using pnetcdf? David A Case (Tue Jan 17 2012 - 07:03:26 PST)
- [AMBER-Developers] gmml & gems B. Lachele Foley (Fri Jan 20 2012 - 12:45:03 PST)
- [AMBER-Developers] Yacc dependency Robin Betz (Tue Jan 24 2012 - 11:23:33 PST)
- [AMBER-Developers] It's astounding.....time is fleeting.... David A Case (Thu Jan 26 2012 - 07:58:55 PST)
- [AMBER-Developers] non-neutral ethane from antechamber Crowley, Michael (Tue Jan 31 2012 - 10:41:40 PST)
- [AMBER-Developers] Proposed parm top addition James Maier (Tue Jan 31 2012 - 11:47:16 PST)
- [AMBER-Developers] Possible CML support in PMEMD output Mark Williamson (Wed Feb 01 2012 - 11:21:02 PST)
- [AMBER-Developers] Atom Types Table B. Lachele Foley (Thu Feb 02 2012 - 12:29:42 PST)
- Re: [AMBER-Developers] [AMBER] compilation of amber 11 + amber tools 1.5 with intel 12.1.2 David A Case (Mon Feb 06 2012 - 05:24:33 PST)
- [AMBER-Developers] libfftw3.a Andreas Goetz (Tue Feb 07 2012 - 06:41:08 PST)
- [AMBER-Developers] Cruise Control System Robin Betz (Tue Feb 07 2012 - 12:35:52 PST)
- [AMBER-Developers] When is fftw3.f03 created? David A. Case (Wed Feb 08 2012 - 09:09:42 PST)
- [AMBER-Developers] patch_amber.py just hangs for me (Mac OS) David A. Case (Wed Feb 08 2012 - 14:34:19 PST)
- [AMBER-Developers] more on patch_amber.py David A. Case (Wed Feb 08 2012 - 14:39:48 PST)
- [AMBER-Developers] lib and lib64 Andreas Goetz (Thu Feb 09 2012 - 06:59:49 PST)
- [AMBER-Developers] pointer m04 to atom names broken Andreas Goetz (Thu Feb 09 2012 - 09:01:06 PST)
- [AMBER-Developers] lib64 David A Case (Thu Feb 09 2012 - 11:11:34 PST)
- [AMBER-Developers] fftw questions case (Sat Feb 11 2012 - 19:40:47 PST)
- [AMBER-Developers] Final stretch for Amber 12 case (Sat Feb 11 2012 - 20:04:39 PST)
- [AMBER-Developers] test suites Jason Swails (Sun Feb 12 2012 - 12:49:02 PST)
- [AMBER-Developers] final stretch and Zeno's paradox case (Sun Feb 12 2012 - 18:56:12 PST)
- [AMBER-Developers] Is cc.ambermd.org actually tracking the git master at the moment? Mark Williamson (Mon Feb 13 2012 - 05:07:49 PST)
- [AMBER-Developers] need suggestions about Amber12 build/test procedure David A Case (Tue Feb 14 2012 - 10:40:03 PST)
- [AMBER-Developers] building issue Jason Swails (Tue Feb 14 2012 - 19:40:52 PST)
- [AMBER-Developers] Second request for cover art David A Case (Fri Feb 17 2012 - 10:16:24 PST)
- [AMBER-Developers] parallel AMBER configure crashing: FFTW Jodi Ann Hadden (Fri Feb 17 2012 - 15:02:45 PST)
- [AMBER-Developers] help with installation instructions case (Sat Feb 18 2012 - 07:47:05 PST)
- Re: [AMBER-Developers] [AMBER] Issues with hydrogens using glycam force field in Amber 10 B. Lachele Foley (Mon Feb 20 2012 - 08:41:43 PST)
- [AMBER-Developers] preparing for the combination of Amber11 + AmberTools12 case (Sat Feb 25 2012 - 09:23:38 PST)
- [AMBER-Developers] final days for contributions to release 12 case (Sat Feb 25 2012 - 09:24:48 PST)
- [AMBER-Developers] Problem in merging lyx files Qin Cai (Mon Feb 27 2012 - 11:54:20 PST)
- [AMBER-Developers] AmberTools Versioning Daniel Roe (Wed Feb 29 2012 - 06:48:04 PST)
- [AMBER-Developers] some questions about current test failures David A Case (Wed Feb 29 2012 - 08:04:02 PST)
- [AMBER-Developers] lyx citation problem Andreas Goetz (Wed Feb 29 2012 - 11:55:12 PST)
- [AMBER-Developers] [gohlke.uni-duesseldorf.de: Fwd: Re: some questions about current test failures] David A Case (Thu Mar 01 2012 - 07:40:35 PST)
- [AMBER-Developers] EP Question B. Lachele Foley (Thu Mar 01 2012 - 09:28:20 PST)
- [AMBER-Developers] Final push towards Amber12 David A Case (Thu Mar 01 2012 - 10:27:59 PST)
- [AMBER-Developers] git repo closed? steinbrt.rci.rutgers.edu (Mon Mar 05 2012 - 10:52:58 PST)
- Re: [AMBER-Developers] [AMBER] Alkali and Halide Monovalent Ion : paper B. Lachele Foley (Tue Mar 06 2012 - 13:32:09 PST)
- [AMBER-Developers] pmemd.cuda.mpi compile fails with openmpi but not mvapich2 steinbrt.rci.rutgers.edu (Wed Mar 07 2012 - 02:34:15 PST)
- [AMBER-Developers] getting ready for the release David A Case (Thu Mar 08 2012 - 05:38:10 PST)
- [AMBER-Developers] Alignment of paragraphs in PDF Qin Cai (Thu Mar 08 2012 - 12:36:42 PST)
- [AMBER-Developers] Ubuntu and MPI home directory Scott Le Grand (Fri Mar 09 2012 - 07:32:30 PST)
- [AMBER-Developers] Amber12, release candidate 1 David A. Case (Fri Mar 09 2012 - 19:04:07 PST)
- [AMBER-Developers] little problem with last antechamber commit Romelia Salomon (Thu Mar 15 2012 - 14:17:50 PDT)
- [AMBER-Developers] Builds of AMBER 12 with gcc 4.1.2 failing Ross Walker (Fri Mar 16 2012 - 16:24:07 PDT)
- [AMBER-Developers] paramfit test files case (Sat Mar 17 2012 - 08:49:54 PDT)
- [AMBER-Developers] SSE-based compile flags for intel case (Sun Mar 18 2012 - 05:50:58 PDT)
- [AMBER-Developers] leap's impose behavior changed in past month B. Lachele Foley (Mon Mar 19 2012 - 18:08:53 PDT)
- [AMBER-Developers] impose, ff12 and glycam tests B. Lachele Foley (Tue Mar 20 2012 - 11:18:19 PDT)
- [AMBER-Developers] clean include Scott Brozell (Tue Mar 20 2012 - 12:37:16 PDT)
- [AMBER-Developers] Anyone know how to add cmap corrections to amber force fields? David A Case (Wed Mar 21 2012 - 05:42:50 PDT)
- [AMBER-Developers] Amber12 release candidate 2 David A Case (Wed Mar 21 2012 - 06:49:42 PDT)
- [AMBER-Developers] Patch for paramfit under cygwin Daniel Roe (Wed Mar 21 2012 - 15:00:03 PDT)
- [AMBER-Developers] Amber12 release candidate 2 B. Lachele Foley (Thu Mar 22 2012 - 11:17:22 PDT)
- [AMBER-Developers] Release Candidate: PBSA issues on Cygwin Daniel Roe (Fri Mar 23 2012 - 09:37:47 PDT)
- [AMBER-Developers] Fwd: [AMBER] Error Compiling pmemd.cuda.MPI (i.e. Multiple GPUs) Jason Swails (Sun Mar 25 2012 - 08:43:05 PDT)
- [AMBER-Developers] Third (final?) release candidate for Amber 12 David A Case (Thu Mar 29 2012 - 20:28:28 PDT)
- [AMBER-Developers] Blue Gene Q Adrian Roitberg (Mon Apr 02 2012 - 06:32:54 PDT)
- [AMBER-Developers] partial NEB issue with release candidate 3 Jason Swails (Mon Apr 02 2012 - 15:21:55 PDT)
- [AMBER-Developers] Fourth (and final!) release candidate for Amber 12 case (Mon Apr 02 2012 - 18:46:05 PDT)
- [AMBER-Developers] Amber12 David A Case (Wed Apr 04 2012 - 09:09:15 PDT)
- [AMBER-Developers] Tzy-hwa K Tzeng is out of the office. Tzy-hwa K Tzeng (Thu Apr 05 2012 - 15:10:07 PDT)
- [AMBER-Developers] Getting bound copies of the Amber manuals David A Case (Tue Apr 10 2012 - 11:37:23 PDT)
- [AMBER-Developers] [Anselm.Horn.biochem.uni-erlangen.de: Amber12 - Version string] David A Case (Fri Apr 13 2012 - 06:49:29 PDT)
- [AMBER-Developers] Another AMBER 12 bugfix Ross Walker (Fri Apr 13 2012 - 15:05:22 PDT)
- [AMBER-Developers] patching procedure Jason Swails (Mon Apr 16 2012 - 10:11:18 PDT)
- [AMBER-Developers] Being an Amber developer Scott Brozell (Wed Apr 18 2012 - 11:56:26 PDT)
- [AMBER-Developers] MMPBSA.py defaults Niel Henriksen (Thu Apr 19 2012 - 13:40:02 PDT)
- [AMBER-Developers] URGENT: weird commit to master branch at git.ambermd.org David A Case (Fri Apr 20 2012 - 05:37:58 PDT)
- [AMBER-Developers] fix (I hope) for master at git.ambermd.org David A Case (Fri Apr 20 2012 - 09:15:14 PDT)
- [AMBER-Developers] git repo at git.ambermd.org is back up for writing David A Case (Fri Apr 20 2012 - 11:34:24 PDT)
- [AMBER-Developers] more on how git works David A Case (Fri Apr 20 2012 - 12:33:19 PDT)
- [AMBER-Developers] Valgrind suppression rules for Fortran Scott Brozell (Mon Apr 23 2012 - 22:58:15 PDT)
- [AMBER-Developers] More (not so) fun with git Scott Le Grand (Wed Apr 25 2012 - 14:15:09 PDT)
- [AMBER-Developers] (partially) unsolicited git suggestion Jason Swails (Thu Apr 26 2012 - 08:05:40 PDT)
- Re: [AMBER-Developers] [AMBER] GLYCAM 06h and 06EPb Jason Swails (Thu Apr 26 2012 - 13:27:37 PDT)
- [AMBER-Developers] [pren.mail.utexas.edu: FW: REMD with AMOEBA] case (Tue May 01 2012 - 09:01:37 PDT)
- [AMBER-Developers] ptraj.MPI in amber12 Jodi Ann Hadden (Wed May 02 2012 - 12:15:50 PDT)
- [AMBER-Developers] Managing and sharing AMBER MD data Julien Thibault (Thu May 03 2012 - 13:06:24 PDT)
- [AMBER-Developers] Anyone have access to Intel 12.1.2 compilers? David A Case (Tue May 08 2012 - 05:32:32 PDT)
- Re: [AMBER-Developers] [AMBER] job terminate abnormally David A Case (Tue May 08 2012 - 10:03:44 PDT)
- [AMBER-Developers] Patch for charmmlipid2amber.x Benjamin D Madej (Tue May 08 2012 - 11:53:27 PDT)
- [AMBER-Developers] sleap -> tleap migration Eric Pettersen (Thu May 10 2012 - 16:13:33 PDT)
- Re: [AMBER-Developers] [AMBER] lipid11 force filed question David A. Case (Mon May 21 2012 - 18:18:58 PDT)
- Re: [AMBER-Developers] [AMBER] Visualizing ptraj eigenvectors David A. Case (Tue May 22 2012 - 03:59:35 PDT)
- Re: [AMBER-Developers] [AMBER] Visualizing ptraj eigenvectors B. Lachele Foley (Tue May 22 2012 - 07:04:09 PDT)
- Re: [AMBER-Developers] Visualizing ptraj eigenvectors Hannes Loeffler (Tue May 22 2012 - 07:16:58 PDT)
- Re: [AMBER-Developers] [AMBER] Visualizing ptraj eigenvectors Mark Williamson (Wed May 23 2012 - 02:22:05 PDT)
- Re: [AMBER-Developers] [AMBER] Visualizing ptraj eigenvectors steinbrt.rci.rutgers.edu (Thu May 24 2012 - 05:51:03 PDT)
- Re: [AMBER-Developers] [AMBER] Visualizing ptraj eigenvectors David A Case (Thu May 24 2012 - 10:16:42 PDT)
- Re: [AMBER-Developers] Fortran experts, a word of advice please steinbrt.rci.rutgers.edu (Tue Jul 24 2012 - 05:15:43 PDT)
- Re: [AMBER-Developers] Fortran experts, a word of advice please Jason Swails (Tue Jul 24 2012 - 05:28:14 PDT)
- Re: [AMBER-Developers] Fortran experts, a word of advice please David Case (Tue Jul 24 2012 - 06:44:18 PDT)
- [AMBER-Developers] AmberTools - pbsa DX writing routine bugfix wmsmith.uci.edu (Tue Jul 24 2012 - 13:26:38 PDT)
- Re: [AMBER-Developers] AmberTools - pbsa DX writing routine bugfix David A. Case (Tue Jul 24 2012 - 14:39:00 PDT)
- Re: [AMBER-Developers] Fortran experts, a word of advice please David A. Case (Tue Jul 24 2012 - 14:48:22 PDT)
- Re: [AMBER-Developers] Fortran experts, a word of advice please steinbrt.rci.rutgers.edu (Wed Jul 25 2012 - 01:04:11 PDT)
- Re: [AMBER-Developers] Fortran experts, a word of advice please Jason Swails (Wed Jul 25 2012 - 05:26:49 PDT)
- Re: [AMBER-Developers] Fortran experts, a word of advice please steinbrt.rci.rutgers.edu (Wed Jul 25 2012 - 06:38:22 PDT)
- Re: [AMBER-Developers] Fortran experts, a word of advice please Ross Walker (Wed Jul 25 2012 - 06:41:56 PDT)
- Re: [AMBER-Developers] Fortran experts, a word of advice please Jason Swails (Wed Jul 25 2012 - 06:54:25 PDT)
- Re: [AMBER-Developers] Fortran experts, a word of advice please steinbrt.rci.rutgers.edu (Wed Jul 25 2012 - 08:01:21 PDT)
- Re: [AMBER-Developers] Fortran experts, a word of advice please Ross Walker (Wed Jul 25 2012 - 08:09:25 PDT)
- Re: [AMBER-Developers] Fortran experts, a word of advice please Jason Swails (Wed Jul 25 2012 - 09:00:05 PDT)
- Re: [AMBER-Developers] Fortran experts, a word of advice please steinbrt.rci.rutgers.edu (Wed Jul 25 2012 - 09:33:48 PDT)
- Re: [AMBER-Developers] Fortran experts, a word of advice please Jason Swails (Wed Jul 25 2012 - 09:37:45 PDT)
- Re: [AMBER-Developers] Fortran experts, a word of advice please steinbrt.rci.rutgers.edu (Wed Jul 25 2012 - 09:53:01 PDT)
- Re: [AMBER-Developers] Fortran experts, a word of advice please Jason Swails (Wed Jul 25 2012 - 08:35:48 PDT)
- [AMBER-Developers] replica-exchange contribution Yannick Spill (Tue May 22 2012 - 09:44:32 PDT)
- Re: [AMBER-Developers] [AMBER] manual prmtop file editing for free energy calculation case (Sun May 27 2012 - 06:28:43 PDT)
- [AMBER-Developers] cpptraj compilation error InSuk Joung (Thu May 31 2012 - 11:40:00 PDT)
- [AMBER-Developers] Auto-image code in Cpptraj Daniel Roe (Wed Jun 06 2012 - 15:16:32 PDT)
- Re: [AMBER-Developers] [GIT] git repository for AMBER: AWG: implement force dumping Ross Walker (Thu Jun 14 2012 - 04:39:19 PDT)
- [AMBER-Developers] CHCl3 parameters Brent Krueger (Mon Jun 18 2012 - 12:33:06 PDT)
- [AMBER-Developers] ff13A in the master branch David A Case (Wed Jun 27 2012 - 09:55:18 PDT)
- [AMBER-Developers] Having to run configure multiple times Ross Walker (Thu Jun 28 2012 - 12:46:16 PDT)
- [AMBER-Developers] TER card issue with ambpdb Ilyas Yildirim (Mon Jul 02 2012 - 11:42:53 PDT)
- [AMBER-Developers] TER card issue with ambpdb Ilyas Yildirim (Tue Jul 03 2012 - 12:53:30 PDT)
- [AMBER-Developers] TER card issue with ambpdb Ilyas Yildirim (Tue Jul 03 2012 - 12:53:49 PDT)
- [AMBER-Developers] TER card issue with ambpdb Ilyas Yildirim (Tue Jul 03 2012 - 14:15:34 PDT)
- [AMBER-Developers] auto-tools David A Case (Thu Jul 05 2012 - 05:10:32 PDT)
- [AMBER-Developers] News from the CHARMM/Amber developers meeting David A Case (Mon Jul 16 2012 - 13:32:46 PDT)
- [AMBER-Developers] antechamber vs. long atom names Eric Pettersen (Tue Jul 17 2012 - 14:48:18 PDT)
- Re: [AMBER-Developers] [AMBER] Installation of Amber in Cygwin case (Thu Jul 19 2012 - 18:57:13 PDT)
- [AMBER-Developers] IPS in pmemd case (Thu Jul 19 2012 - 19:17:02 PDT)
- [AMBER-Developers] Current git build tree broken by RISM. Ross Walker (Fri Jul 20 2012 - 22:36:21 PDT)
- [AMBER-Developers] vdW radii in pmemd.cuda David A Case (Wed Aug 01 2012 - 07:16:50 PDT)
- [AMBER-Developers] X11 and MountainLion? David A Case (Thu Aug 02 2012 - 07:47:19 PDT)
- [AMBER-Developers] Trajectory Writes During Xmin Daniel Roe (Tue Aug 07 2012 - 09:23:27 PDT)
- [AMBER-Developers] Test message, please ignore Ross Walker (Tue Aug 07 2012 - 21:18:57 PDT)
- [AMBER-Developers] Fwd: [GIT] git repository for AMBER: RCW: Looks like someone forgot to tell the amber12-with-patches branch that these two bugfixes had already been applied to it. Daniel Roe (Thu Aug 23 2012 - 10:47:30 PDT)
- [AMBER-Developers] Urgent testing required Ross Walker (Thu Aug 23 2012 - 16:30:17 PDT)
- [AMBER-Developers] wait to make any new bug fixes Jason Swails (Sat Aug 25 2012 - 17:47:22 PDT)
- Re: [AMBER-Developers] [AMBER] Can we use Ambertools analysis MD from GROMACS David A Case (Mon Aug 27 2012 - 04:50:03 PDT)
- [AMBER-Developers] Discussion: CPPTRAJ: AT12 updated manual issue Daniel Roe (Wed Aug 29 2012 - 12:09:47 PDT)
- [AMBER-Developers] configure2: minor changes to netcdf configure Daniel Roe (Thu Sep 06 2012 - 13:06:21 PDT)
- [AMBER-Developers] statistics on email list usage? Carlos Simmerling (Mon Oct 01 2012 - 09:40:44 PDT)
- [AMBER-Developers] Problem installing Amber12 Sajeewa Pemasinghe (Wed Oct 10 2012 - 18:22:42 PDT)
- Re: [AMBER-Developers] [AMBER] CHAMBER: error in finding bond type David A Case (Wed Oct 17 2012 - 06:59:17 PDT)
- [AMBER-Developers] problem in running pmemd.MPI InSuk Joung (Thu Oct 25 2012 - 08:46:23 PDT)
- Re: [AMBER-Developers] [AMBER] Compiling amber parallel Jason Swails (Fri Oct 26 2012 - 08:28:21 PDT)
- [AMBER-Developers] pmemd cuda MPI nmropt crashes Scott Brozell (Fri Nov 09 2012 - 02:34:36 PST)
- [AMBER-Developers] We have passed 500 Amber12 licenses David A Case (Tue Nov 13 2012 - 08:57:44 PST)
- [AMBER-Developers] Enhancements and Updates to Cpptraj Daniel Roe (Wed Nov 14 2012 - 09:08:27 PST)
- [AMBER-Developers] pmemd.cuda compilation issue Jason Swails (Fri Nov 16 2012 - 10:42:27 PST)
- [AMBER-Developers] AMBER Cruise Control Server Ross Walker (Thu Nov 29 2012 - 20:14:27 PST)
- [AMBER-Developers] [tef.cgl.ucsf.edu: Peter Kollman's cv] David A Case (Mon Dec 10 2012 - 13:44:03 PST)
- [AMBER-Developers] antechamber ATCOR.dat incomplete Eric Pettersen (Tue Dec 11 2012 - 14:50:08 PST)
- [AMBER-Developers] buglet in antechamber/parmchk.c Eric Pettersen (Tue Dec 11 2012 - 14:53:50 PST)
- [AMBER-Developers] Oddities in runmd.F90 in pmemd David A Case (Thu Dec 13 2012 - 05:54:04 PST)
- [AMBER-Developers] Cruise Control now running test suites Ross Walker (Tue Jan 08 2013 - 13:19:08 PST)
- [AMBER-Developers] finding intel libs Josh Berryman (Fri Jan 18 2013 - 02:27:34 PST)
- [AMBER-Developers] Fwd: problems with ORCA... Shashidhar Rao (Fri Jan 18 2013 - 11:54:19 PST)
- [AMBER-Developers] Extension of the parm*.dat file format dcerutti.rci.rutgers.edu (Mon Jan 21 2013 - 10:55:55 PST)
- [AMBER-Developers] new branch: amber_emil Josh Berryman (Fri Feb 01 2013 - 02:25:05 PST)
- Re: [AMBER-Developers] [AMBER] Error initiating H-REMD Jason Swails (Fri Feb 01 2013 - 18:56:40 PST)
- [AMBER-Developers] Is there a preferred way to compress data as bits? dcerutti.rci.rutgers.edu (Thu Feb 07 2013 - 13:54:21 PST)
- [AMBER-Developers] Git access updates Ross Walker (Mon Feb 11 2013 - 13:08:42 PST)
- [AMBER-Developers] Timetable for new release of AmberTools David A Case (Thu Feb 14 2013 - 09:20:50 PST)
- [AMBER-Developers] Testing Periodic ICCG pbsa solver under MMPBSA wmsmith.uci.edu (Thu Feb 14 2013 - 16:01:41 PST)
- [AMBER-Developers] Call for cover art for the next edition of the AmberTools manual David A Case (Fri Feb 15 2013 - 11:29:00 PST)
- [AMBER-Developers] How did my engine suddenly get so slow? dcerutti.rci.rutgers.edu (Mon Feb 18 2013 - 00:21:37 PST)
- [AMBER-Developers] addIonsRand command segfaulting Jason Swails (Mon Feb 18 2013 - 13:54:07 PST)
- [AMBER-Developers] minor issue with BUFFER_SIZE in ptraj() Hannes Loeffler (Mon Feb 25 2013 - 02:35:43 PST)
- [AMBER-Developers] Companies reselling AMBER. Ross Walker (Tue Feb 26 2013 - 10:10:06 PST)
- [AMBER-Developers] pmemd GLYCAM EP segfault fixed Jason Swails (Thu Feb 28 2013 - 09:06:58 PST)
- [AMBER-Developers] Help needed with MPI parallelism dcerutti.rci.rutgers.edu (Thu Feb 28 2013 - 09:24:25 PST)
- [AMBER-Developers] Code/documentation deadlines for AmberTools13 David A Case (Fri Mar 08 2013 - 18:01:47 PST)
- [AMBER-Developers] Occasional failures in pmemd serial dcerutti.rci.rutgers.edu (Thu Mar 14 2013 - 15:17:01 PDT)
- [AMBER-Developers] Possible testing issue for 64 vs 32 bit architecture wmsmith.uci.edu (Thu Mar 14 2013 - 16:08:28 PDT)
- [AMBER-Developers] AmberTools13 code freeze and release dates David A Case (Sat Mar 16 2013 - 18:33:14 PDT)
- [AMBER-Developers] PMEMD and NEB Gustavo Seabra (Mon Mar 18 2013 - 11:40:26 PDT)
- [AMBER-Developers] AmberTools patches Andreas Goetz (Tue Mar 19 2013 - 14:09:18 PDT)
- [AMBER-Developers] please avoid editing AmberTools12.lyx for a short while David A Case (Thu Mar 21 2013 - 12:39:42 PDT)
- [AMBER-Developers] AmberTools12.lyx now open, more... David A Case (Thu Mar 21 2013 - 13:38:57 PDT)
- [AMBER-Developers] weird intel compiler errors (with 11.1.069) David A Case (Fri Mar 22 2013 - 07:10:03 PDT)
- [AMBER-Developers] dreaded unspecified launch failures David A Case (Fri Mar 22 2013 - 09:32:45 PDT)
- [AMBER-Developers] AmberTools12.lyx broken? Daniel Roe (Fri Mar 22 2013 - 16:19:51 PDT)
- [AMBER-Developers] temporary freeze of the git repo at San Diego David A Case (Fri Mar 22 2013 - 19:26:00 PDT)
- [AMBER-Developers] Release candidates for AmberTools13 David A Case (Wed Mar 27 2013 - 08:17:27 PDT)
- [AMBER-Developers] -j x parallel builds broken if you don't build serial first Ross Walker (Wed Mar 27 2013 - 11:03:38 PDT)
- [AMBER-Developers] AmberTools13, release candidate 1 David A Case (Thu Mar 28 2013 - 18:44:47 PDT)
- [AMBER-Developers] size of the test suite in AmberTools13 David A Case (Mon Apr 01 2013 - 07:54:56 PDT)
- [AMBER-Developers] Second release candidate for AmberTools13 David A Case (Sat Apr 06 2013 - 06:39:18 PDT)
- [AMBER-Developers] Third (and, I hope, final) release candidate for AmberTools13 David A Case (Fri Apr 12 2013 - 05:31:14 PDT)
- [AMBER-Developers] clean stop for TI bug? G. Andres Cisneros (Tue Apr 16 2013 - 08:03:17 PDT)
- [AMBER-Developers] Tzy-hwa K Tzeng is out of the office. Tzy-hwa K Tzeng (Thu Apr 18 2013 - 13:12:22 PDT)
- [AMBER-Developers] new motto needed David A Case (Fri Apr 19 2013 - 10:51:17 PDT)
- [AMBER-Developers] mdgx API--how should I handle struct declarations in mdgx.h? dcerutti.rci.rutgers.edu (Fri Apr 26 2013 - 16:08:31 PDT)
- [AMBER-Developers] [grahams.stjohns.edu: Gordon Conference] David A Case (Sun Apr 28 2013 - 16:25:44 PDT)
- [AMBER-Developers] FW: [Incite-2013-pis] Postdoctoral Opportunities at the ALCF Crowley, Michael (Wed May 01 2013 - 08:36:07 PDT)
- [AMBER-Developers] any experience with BG-Q David A Case (Thu May 23 2013 - 07:13:32 PDT)
- [AMBER-Developers] Tzy-hwa K Tzeng is out of the office. Tzy-hwa K Tzeng (Thu May 23 2013 - 09:09:19 PDT)
- [AMBER-Developers] New cpptraj routines from H. Loeffler Daniel Roe (Tue May 28 2013 - 13:05:16 PDT)
- [AMBER-Developers] What happened to the dashboard? dcerutti.rci.rutgers.edu (Tue May 28 2013 - 13:28:56 PDT)
- [AMBER-Developers] Cruise Control is back up Robin Betz (Mon Jun 10 2013 - 14:02:00 PDT)
- Re: [AMBER-Developers] [AMBER] CUDA install fails due to undefined netcdf definitions David A Case (Tue Jun 11 2013 - 18:27:48 PDT)
- [AMBER-Developers] no bintraj Scott Brozell (Thu Jun 13 2013 - 21:59:19 PDT)
- Re: [AMBER-Developers] [AMBER] Fwd: Fwd: Re: Is it a bug? Compilation Error in Ambertools Jason Swails (Tue Jun 25 2013 - 08:08:38 PDT)
- Re: [AMBER-Developers] [GIT] git repository for AMBER: DRR - Cpptraj: Only print citation when exiting cleanly. David A Case (Mon Jul 29 2013 - 09:57:50 PDT)
- Re: [AMBER-Developers] GTX-Titan / GTX780 Fix Ross Walker (Mon Aug 05 2013 - 19:11:35 PDT)
- [AMBER-Developers] NVE vs NTP timings for latest gpu-tachyon code David A Case (Tue Aug 06 2013 - 13:34:55 PDT)
- [AMBER-Developers] Netcdf broken Ross Walker (Wed Aug 14 2013 - 17:55:22 PDT)
- [AMBER-Developers] Looking for post-doc/progammer to work on polarizable force fields David A Case (Fri Aug 16 2013 - 05:57:50 PDT)
- [AMBER-Developers] Zero VDW radii causing havoc. Ross Walker (Fri Aug 16 2013 - 10:17:54 PDT)
- [AMBER-Developers] volunteer needed to clean up Amber web pages David A Case (Tue Aug 27 2013 - 07:32:48 PDT)
- [AMBER-Developers] Tzy-hwa K Tzeng is out of the office. Tzy-hwa K Tzeng (Tue Aug 27 2013 - 09:13:13 PDT)
- [AMBER-Developers] Problems creating amber12 pbsa bugfix patch wmsmith.uci.edu (Mon Sep 30 2013 - 14:55:48 PDT)
- [AMBER-Developers] gpu-tachyon branch causing error on GPU Bill Miller III (Wed Oct 16 2013 - 18:53:54 PDT)
- [AMBER-Developers] valid atomic name/mass required? Niel Henriksen (Thu Oct 24 2013 - 12:53:13 PDT)
- [AMBER-Developers] NetCDF Update Daniel Roe (Thu Oct 31 2013 - 10:14:23 PDT)
- [AMBER-Developers] issues with born radii Adrian Roitberg (Thu Oct 31 2013 - 13:20:01 PDT)
- [AMBER-Developers] SANDER in Amber12 fails to read Amber11 generated files on some local machines ... Ray Luo, Ph.D. (Fri Nov 22 2013 - 11:31:05 PST)
- Re: [AMBER-Developers] [AMBER] Setting the cut-off and size of box Timothy J Giese (Mon Dec 02 2013 - 18:16:17 PST)
- [AMBER-Developers] LES Topology Documentation? Daniel Roe (Tue Dec 03 2013 - 15:50:24 PST)
- [AMBER-Developers] virial checks with sander/debug.F90 chkvir Timothy J Giese (Thu Dec 05 2013 - 16:24:53 PST)
- [AMBER-Developers] Opening at MSU Ken Merz (Thu Dec 05 2013 - 17:45:42 PST)
- [AMBER-Developers] New Year fixes for Amber case (Thu Jan 02 2014 - 07:20:07 PST)
- [AMBER-Developers] tutorials pages Josh Berryman (Tue Jan 07 2014 - 07:58:53 PST)
- [AMBER-Developers] antechamber default residue name Timothy J Giese (Tue Jan 07 2014 - 10:22:57 PST)
- [AMBER-Developers] minor re-naming of the Amber manual files David A Case (Wed Jan 08 2014 - 13:00:18 PST)
- [AMBER-Developers] GIT merge problem? Daniel Roe (Fri Jan 10 2014 - 10:19:31 PST)
- [AMBER-Developers] EMIL breaks everything??? Ross Walker (Fri Jan 10 2014 - 15:56:46 PST)
- [AMBER-Developers] GPU Code Update Ross Walker (Sat Jan 11 2014 - 21:56:10 PST)
- [AMBER-Developers] group photo Carlos Simmerling (Sat Jan 18 2014 - 11:02:12 PST)
- [AMBER-Developers] Bugzilla: add some components? Josh Berryman (Tue Jan 21 2014 - 02:22:15 PST)
- [AMBER-Developers] Monte Carlo barostat in sander Jason Swails (Wed Jan 22 2014 - 09:20:43 PST)
- [AMBER-Developers] SEBOMD in the master branch Gerald Monard (Sat Jan 25 2014 - 09:56:22 PST)
- [AMBER-Developers] AmberTools/src/configure2 -mpi problem Gerald Monard (Sat Jan 25 2014 - 15:59:09 PST)
- [AMBER-Developers] Ideas about a reorganization of the Amber manuals David A Case (Sun Jan 26 2014 - 10:48:15 PST)
- [AMBER-Developers] SEBOMD Breaks -jx Build Ross Walker (Mon Jan 27 2014 - 20:42:10 PST)
- [AMBER-Developers] Git server very slow ... Ray Luo, Ph.D. (Tue Jan 28 2014 - 12:32:55 PST)
- [AMBER-Developers] rism - Netcdf problems? Ross Walker (Tue Jan 28 2014 - 21:12:57 PST)
- [AMBER-Developers] ABF-QM/MM compile and test issues Jason Swails (Thu Jan 30 2014 - 05:19:32 PST)
- [AMBER-Developers] Amber manual reorganization David A Case (Thu Jan 30 2014 - 05:44:58 PST)
- Re: [AMBER-Developers] [AMBER] ATOMIC NUMBER section in prmtop file - Sustiva example James Maier (Fri Jan 31 2014 - 19:19:04 PST)
- [AMBER-Developers] two weeks! David A Case (Mon Feb 03 2014 - 17:54:57 PST)
- [AMBER-Developers] Parallel Test failures with CUDA 5.5 Daniel Roe (Wed Feb 05 2014 - 14:33:34 PST)
- [AMBER-Developers] Fwd: [GIT] git repository for AMBER: sander/rism: reordered linking for MKL and FFTW3 libraries Daniel Roe (Fri Feb 07 2014 - 13:56:29 PST)
- [AMBER-Developers] Cygwin + xleap issue Ilyas Yildirim (Sun Feb 09 2014 - 23:09:04 PST)
- [AMBER-Developers] one week until code freeze David A Case (Mon Feb 10 2014 - 06:02:45 PST)
- [AMBER-Developers] 12-6-4 LJ Commit. Ross Walker (Tue Feb 11 2014 - 14:05:00 PST)
- [AMBER-Developers] Outage for AMBER servers this weekend. Ross Walker (Tue Feb 11 2014 - 14:54:12 PST)
- [AMBER-Developers] mdgx netcdf dependency Josh Berryman (Thu Feb 13 2014 - 04:49:27 PST)
- [AMBER-Developers] temporary git.ambermd.org "freeze" will happen on Feb. 18 David A Case (Thu Feb 13 2014 - 13:02:09 PST)
- [AMBER-Developers] Migrated mm_pbsa.pl from src to AmberTools/src Holger Gohlke (Fri Feb 14 2014 - 09:17:00 PST)
- [AMBER-Developers] Compiler backwards compatibility issue Daniel Roe (Tue Feb 18 2014 - 14:21:56 PST)
- [AMBER-Developers] 1000th license for Amber12 David A Case (Wed Feb 19 2014 - 05:06:13 PST)
- [AMBER-Developers] Access changes at git.ambermd.org David A Case (Wed Feb 19 2014 - 05:14:16 PST)
- [AMBER-Developers] sander to AmberTools Jason Swails (Thu Feb 20 2014 - 06:07:14 PST)
- [AMBER-Developers] a quick note about the new code organization David A Case (Thu Feb 20 2014 - 19:28:10 PST)
- [AMBER-Developers] new monoatomic_ions library David A Case (Fri Feb 21 2014 - 11:40:40 PST)
- [AMBER-Developers] MD in Drug Discovery Symposium for the Fall ACS 2015 (Boston) Guanglei Cui (Tue Feb 25 2014 - 13:41:25 PST)
- [AMBER-Developers] Write access to git.ambermd.org David A Case (Tue Feb 25 2014 - 18:00:59 PST)
- [AMBER-Developers] Ions parameters in ff12SB Gustavo Seabra (Wed Feb 26 2014 - 05:06:01 PST)
- [AMBER-Developers] be careful about DOS line endings David A Case (Wed Feb 26 2014 - 06:49:26 PST)
- [AMBER-Developers] Print options for Amber manual David A Case (Mon Mar 03 2014 - 10:19:05 PST)
- [AMBER-Developers] Wiki for test results, new features list David A Case (Tue Mar 04 2014 - 18:46:20 PST)
- [AMBER-Developers] docs: NCSU Josh Berryman (Wed Mar 05 2014 - 05:06:18 PST)
- [AMBER-Developers] files missing from amber_web repo Josh Berryman (Thu Mar 06 2014 - 07:18:44 PST)
- [AMBER-Developers] Tutorials update Ross Walker (Fri Mar 07 2014 - 14:46:20 PST)
- [AMBER-Developers] Tutorials custom search box Josh Berryman (Mon Mar 10 2014 - 00:08:48 PDT)
- [AMBER-Developers] Centering, justifying, widths Josh Berryman (Mon Mar 10 2014 - 02:49:55 PDT)
- [AMBER-Developers] Release Candidate 1 for Amber14 and AmberTools14 David A Case (Tue Mar 11 2014 - 11:07:51 PDT)
- [AMBER-Developers] hydrogen mass repartitioning David A Case (Wed Mar 12 2014 - 04:51:49 PDT)
- [AMBER-Developers] EMIL tutorial Josh Berryman (Thu Mar 13 2014 - 01:51:35 PDT)
- [AMBER-Developers] Problems with pmemd.cuda.MPI Daniel Roe (Thu Mar 13 2014 - 09:24:47 PDT)
- [AMBER-Developers] as we approach release Adrian Roitberg (Fri Mar 14 2014 - 16:28:38 PDT)
- [AMBER-Developers] Release candidate 2 for Amber14 and AmberTools14 David A Case (Mon Mar 17 2014 - 15:13:54 PDT)
- [AMBER-Developers] New features in mdgx Scott Brozell (Tue Mar 18 2014 - 07:16:40 PDT)
- [AMBER-Developers] Open64 compilers Jason Swails (Tue Mar 18 2014 - 13:28:00 PDT)
- Re: [AMBER-Developers] updating Amber.lyx David A Case (Tue Mar 18 2014 - 13:44:20 PDT)
- [AMBER-Developers] QMMM test failures with PGI (sander bug 218), Amber14 RC 2 Daniel Roe (Wed Mar 19 2014 - 07:09:52 PDT)
- [AMBER-Developers] pmemd.cuda SPFP test failures David A Case (Wed Mar 19 2014 - 08:30:05 PDT)
- Re: [AMBER-Developers] netcdff's configure options Timothy J Giese (Wed Mar 19 2014 - 16:27:20 PDT)
- [AMBER-Developers] misc configure issues Scott Brozell (Thu Mar 20 2014 - 10:03:40 PDT)
- [AMBER-Developers] SEBOMD sebomd/DC/water32 test failing in serial/parallel for RC2 Daniel Roe (Thu Mar 20 2014 - 15:55:42 PDT)
- [AMBER-Developers] Amber build and environment Jason Swails (Fri Mar 21 2014 - 22:18:47 PDT)
- [AMBER-Developers] 5-digits AT plus Amber14 release notes David A Case (Tue Mar 25 2014 - 08:10:09 PDT)
- [AMBER-Developers] Reliability of GPU calculations Robert Konecny (Wed Mar 26 2014 - 11:13:29 PDT)
- [AMBER-Developers] Release candidate 3 for Amber and AmberTools David A Case (Sun Mar 30 2014 - 16:50:02 PDT)
- [AMBER-Developers] Intel MPI in configure? Daniel Roe (Tue Apr 01 2014 - 08:35:35 PDT)
- [AMBER-Developers] configure gnu/mkl Timothy J Giese (Tue Apr 01 2014 - 11:02:58 PDT)
- [AMBER-Developers] Fwd: Intel MPI in configure? Needham, Perri (Tue Apr 01 2014 - 13:57:34 PDT)
- Re: [AMBER-Developers] [GIT] git repository for AMBER: David A Case (Wed Apr 02 2014 - 08:31:18 PDT)
- Re: [AMBER-Developers] Explicit Solvent CpHMD Jason Swails (Thu Apr 03 2014 - 15:30:39 PDT)
- [AMBER-Developers] Amber14 final (!?!) release candidate David A Case (Thu Apr 10 2014 - 11:05:52 PDT)
- [AMBER-Developers] Release of Amber and AmberTools David A Case (Tue Apr 15 2014 - 17:58:27 PDT)
- [AMBER-Developers] new skill or expertise David A Case (Thu Apr 24 2014 - 13:12:35 PDT)
- [AMBER-Developers] Amber14 cuda+mpi on ORNL Titan Gustavo Seabra (Mon Apr 28 2014 - 11:04:02 PDT)
- Re: [AMBER-Developers] [AMBER] Amber12 parallel installation error with MPICH2 UBUNTU 14.04 Jason Swails (Wed May 07 2014 - 05:41:16 PDT)
- [AMBER-Developers] configure question Brent Krueger (Thu May 08 2014 - 07:49:32 PDT)
- [AMBER-Developers] MIC and SSE Brent Krueger (Thu May 08 2014 - 07:55:05 PDT)
- [AMBER-Developers] gotcha with the current config/install procedure Josh Berryman (Fri May 16 2014 - 00:43:03 PDT)
- [AMBER-Developers] Updates and bug fixes Jason Swails (Thu May 22 2014 - 08:57:31 PDT)
- [AMBER-Developers] Recent test file mode changes. Daniel Roe (Mon Jun 23 2014 - 13:20:13 PDT)
- [AMBER-Developers] makeDIP_RST.cyana needs to be committed Scott Brozell (Wed Jul 02 2014 - 23:45:32 PDT)
- [AMBER-Developers] Congrats to Adrian David A Case (Thu Jul 17 2014 - 15:33:00 PDT)
- [AMBER-Developers] recent LEaP bug Jason Swails (Tue Jul 22 2014 - 10:16:43 PDT)
- Re: [AMBER-Developers] [AMBER] GPU error Attempting MC barostat change: Failed David A Case (Thu Jul 24 2014 - 18:37:46 PDT)
- [AMBER-Developers] great news! Roitberg,Adrian E (Tue Aug 12 2014 - 13:50:06 PDT)
- [AMBER-Developers] Amber14 master branch not compiling under gnu wmsmith.uci.edu (Wed Sep 10 2014 - 21:08:00 PDT)
- Re: [AMBER-Developers] [AMBER] Force field ff99SB*-ILDN request Carlos Simmerling (Tue Sep 16 2014 - 20:05:36 PDT)
- [AMBER-Developers] GPU/cuda determinism B. Lachele Foley (Wed Sep 17 2014 - 12:14:44 PDT)
- [AMBER-Developers] Dashboard CC builds all failing Jason Swails (Wed Oct 01 2014 - 06:34:44 PDT)
- Re: [AMBER-Developers] [GIT] git repository for AMBER: RCW: Change -nopysander to -pysander - make skipping of pysander build default since it requires external libraries that are not installed by default on most systems. - Should fix CruiseControl builds. Ross Walker (Wed Oct 01 2014 - 11:21:41 PDT)
- [AMBER-Developers] nofftw3 and MKL Niel Henriksen (Mon Oct 13 2014 - 12:24:44 PDT)
- Re: [AMBER-Developers] [AMBER] Problem installing amber14 Daniel Roe (Mon Oct 13 2014 - 19:50:44 PDT)
- Re: [AMBER-Developers] [AMBER] CUDA test failed Daniel Roe (Thu Oct 16 2014 - 09:38:59 PDT)
- [AMBER-Developers] Cpptraj feature request page Daniel Roe (Fri Oct 31 2014 - 07:58:11 PDT)
- [AMBER-Developers] /usr/bin/ld: cannot find -lfftw3_mpi Gerald Monard (Tue Nov 04 2014 - 11:46:57 PST)
- Re: [AMBER-Developers] [campuschampions] Amber/cgroup/GPU (fwd) Thomas Cheatham (Fri Nov 07 2014 - 10:37:12 PST)
- [AMBER-Developers] updates in amber-14-with-patches branch Andreas Goetz (Tue Nov 11 2014 - 17:57:23 PST)
- [AMBER-Developers] logs of manuals Scott Brozell (Fri Nov 21 2014 - 12:33:53 PST)
- [AMBER-Developers] Recurring, non-reproducible NetCDF compile errors Andreas Goetz (Sun Nov 23 2014 - 20:17:26 PST)
- Re: [AMBER-Developers] [AMBER] ERROR USING tleap Jason Swails (Mon Dec 08 2014 - 06:54:39 PST)
- Re: [AMBER-Developers] [AMBER] another segfault with sander14 and TI/softcore David A Case (Wed Dec 17 2014 - 11:27:41 PST)
- [AMBER-Developers] why are all the pmemdTI tests failing? David A Case (Thu Dec 18 2014 - 04:41:59 PST)
- Re: [AMBER-Developers] [AMBER] Using restraints to get a complex David A Case (Mon Jan 12 2015 - 05:02:07 PST)
- Re: [AMBER-Developers] [AMBER] Group defining heavy atoms Jason Swails (Thu Jan 22 2015 - 05:23:20 PST)
- [AMBER-Developers] regression test directory Gerald Monard (Wed Jan 28 2015 - 06:47:10 PST)
- [AMBER-Developers] Some notes and questions from the recent developers' meeting David A Case (Wed Feb 18 2015 - 08:58:15 PST)
- [AMBER-Developers] [guanglei.x.cui.gsk.com: RE: ACS meeting] David A Case (Thu Feb 19 2015 - 05:33:16 PST)
- [AMBER-Developers] more release items David A Case (Mon Feb 23 2015 - 09:18:47 PST)
- [AMBER-Developers] Tzy-hwa K Tzeng is out of the office. Tzy-hwa K Tzeng (Mon Feb 23 2015 - 13:05:33 PST)
- [AMBER-Developers] If you run Amber on a Mac Jason Swails (Wed Feb 25 2015 - 06:40:47 PST)
- [AMBER-Developers] Code freeze for AmberTools15 David A Case (Fri Mar 06 2015 - 12:14:28 PST)
- [AMBER-Developers] force-field naming (redux) David A Case (Sun Mar 08 2015 - 06:31:14 PDT)
- [AMBER-Developers] default for gamma_ln? Alexey Onufriev (Tue Mar 10 2015 - 15:54:15 PDT)
- [AMBER-Developers] gcc 4.1.2 Jason Swails (Tue Mar 10 2015 - 19:53:03 PDT)
- [AMBER-Developers] Temporary freeze of the git repo at SDSC David A Case (Wed Mar 11 2015 - 05:59:00 PDT)
- [AMBER-Developers] amberlite and GIT Daniel Roe (Fri Mar 13 2015 - 14:08:50 PDT)
- [AMBER-Developers] GPU Test Cases Daniel Roe (Mon Mar 16 2015 - 09:04:08 PDT)
- [AMBER-Developers] Commit access Jason Swails (Mon Mar 23 2015 - 14:15:47 PDT)
- [AMBER-Developers] Tzy-hwa K Tzeng is out of the office. Tzy-hwa K Tzeng (Tue Mar 24 2015 - 08:53:07 PDT)
- Re: [AMBER-Developers] DLPC Ross Walker (Tue Mar 24 2015 - 09:51:20 PDT)
- [AMBER-Developers] gcc: pytraj/_shared_methods.cpp: No such file or directory Scott Brozell (Tue Mar 24 2015 - 10:20:07 PDT)
- [AMBER-Developers] Release candidate 1 for AmberTools 15 Jason Swails (Tue Mar 31 2015 - 11:07:53 PDT)
- [AMBER-Developers] Tzy-hwa K Tzeng is out of the office. Tzy-hwa K Tzeng (Tue Apr 07 2015 - 01:00:39 PDT)
- [AMBER-Developers] RISM tests Daniel Roe (Tue Apr 07 2015 - 14:12:40 PDT)
- [AMBER-Developers] Problems compiling on OSX 10.10 Ross Walker (Wed Apr 08 2015 - 18:13:04 PDT)
- [AMBER-Developers] bullet points for significant changes in AmberTools15 David A Case (Mon Apr 13 2015 - 10:02:43 PDT)
- [AMBER-Developers] Release candidate 3 for AmberTools 15 Jason Swails (Wed Apr 15 2015 - 12:46:08 PDT)
- [AMBER-Developers] Release candidate 4 (final?) for AmberTools 15 Jason Swails (Mon Apr 27 2015 - 08:19:33 PDT)
- [AMBER-Developers] Just an idea.... Ken Merz (Mon May 04 2015 - 09:01:05 PDT)
- [AMBER-Developers] Computational Chemical Biology Conference - Abstract Deadline May 15th Ross Walker (Tue May 05 2015 - 10:09:52 PDT)
- [AMBER-Developers] updated tutorials table of contents David A Case (Tue May 05 2015 - 10:48:58 PDT)
- [AMBER-Developers] Test message Ross Walker (Sat May 16 2015 - 13:03:06 PDT)
- [AMBER-Developers] Differing behavior between sander and pmemd for 1-4 nonbonded interactions Jason Swails (Mon May 18 2015 - 06:53:01 PDT)
- [AMBER-Developers] Tests Daniel Roe (Tue May 19 2015 - 09:28:15 PDT)
- [AMBER-Developers] gnu versions; error compiling sander: 'is_iostat_end' does not exist Scott Brozell (Wed May 20 2015 - 22:59:56 PDT)
- [AMBER-Developers] Incorrect behavior of time input variable Daniel Roe (Tue May 26 2015 - 08:44:25 PDT)
- [AMBER-Developers] AmberTools15 + gcc-4.8.4 Gerald Monard (Sat May 30 2015 - 11:03:32 PDT)
- [AMBER-Developers] ff14SB strange parameter assignment Jason Swails (Wed Jun 24 2015 - 08:52:07 PDT)
- [AMBER-Developers] README.rst file missing in pytraj Gerald Monard (Thu Jun 25 2015 - 09:19:04 PDT)
- [AMBER-Developers] Telling statistics Jason Swails (Mon Jul 06 2015 - 11:15:05 PDT)
- Re: [AMBER-Developers] [AMBER] GTX980Ti's now supported for AMBER and Exxact GTX780Tis available at discounted prices Carlos Simmerling (Mon Jul 20 2015 - 18:12:40 PDT)
- [AMBER-Developers] GAFF versions? Carlos Simmerling (Fri Jul 24 2015 - 14:27:59 PDT)
- [AMBER-Developers] Potential GIT conflicts with AmberTools/test/cpptraj Daniel Roe (Fri Jul 31 2015 - 13:17:48 PDT)
- [AMBER-Developers] [sangita.imtech.res.in: [AMBER] PB Bomb in pb_aaradi(): No radius assigned for atom] David A Case (Tue Aug 11 2015 - 04:51:45 PDT)
- [AMBER-Developers] [Fwd: Re: [AMBER] NPT equilibration failed] Jason Swails (Tue Aug 18 2015 - 09:13:06 PDT)
- [AMBER-Developers] [stecue.gmail.com: [AMBER] Has anyone tried VMD in the second step of tutorial A1?] David A Case (Tue Sep 15 2015 - 11:43:45 PDT)
- [AMBER-Developers] SAXS OpenMP compile fails with icpc 16 Daniel Roe (Fri Sep 25 2015 - 07:46:30 PDT)
- [AMBER-Developers] [guy.cabm-new.rutgers.edu: amber and integral membrane proteins] David A Case (Wed Sep 30 2015 - 05:05:49 PDT)
- Re: [AMBER-Developers] [AMBER] problem with randomizing velocities David A Case (Thu Oct 15 2015 - 11:29:02 PDT)
- [AMBER-Developers] Origin of dihedral term Ross Walker (Mon Oct 19 2015 - 15:25:00 PDT)
- [AMBER-Developers] Problems with AmberTools 15 and netcdf-fortran-4.2 compile Ross Walker (Tue Oct 20 2015 - 14:59:21 PDT)
- [AMBER-Developers] Fwd: Problems with AmberTools 15 and netcdf-fortran-4.2 compile Ross Walker (Tue Oct 20 2015 - 20:01:38 PDT)
- [AMBER-Developers] Issues with Amber 14 update.12 Ross Walker (Thu Oct 22 2015 - 10:47:29 PDT)
- Re: [AMBER-Developers] [AMBER] &rst + distance + coordinate restraint Jason Swails (Tue Nov 03 2015 - 09:11:05 PST)
- [AMBER-Developers] dashboard difs Scott Brozell (Fri Nov 06 2015 - 22:11:13 PST)
- [AMBER-Developers] Succinct git tutorial Jason Swails (Mon Nov 09 2015 - 07:17:12 PST)
- [AMBER-Developers] Leap inconsistencies with wildcard torsion (surprise) Niel Henriksen (Thu Nov 12 2015 - 17:19:14 PST)
- [AMBER-Developers] Future CPPTRAJ Development on GitHub Daniel Roe (Fri Dec 04 2015 - 08:03:16 PST)
- [AMBER-Developers] Older manuals B. Lachele Foley (Tue Dec 08 2015 - 18:39:26 PST)
- [AMBER-Developers] Target dates for Amber16 and AmberTools16 David A Case (Tue Dec 22 2015 - 05:17:52 PST)
- [AMBER-Developers] Latest configure script seems to want to install tons of third party dependencies? Ross Walker (Thu Jan 28 2016 - 05:59:04 PST)
- [AMBER-Developers] Contest for cover art for the next manual David A Case (Wed Feb 03 2016 - 08:30:40 PST)
- [AMBER-Developers] Help with Makefiles for pmemd.cuda Ross Walker (Thu Feb 04 2016 - 12:13:28 PST)
- [AMBER-Developers] Code freeze for Amber 16 David A Case (Fri Feb 12 2016 - 15:05:02 PST)
- [AMBER-Developers] Fwd: [GIT] git repository for AMBER: Squashed pull of ParmEd's GH repo Ross Walker (Mon Feb 15 2016 - 08:55:49 PST)
- [AMBER-Developers] Sander parallel build broken by PBSA updates Ross Walker (Tue Feb 16 2016 - 00:11:18 PST)
- [AMBER-Developers] Python issues... Ross Walker (Thu Feb 18 2016 - 10:28:22 PST)
- [AMBER-Developers] Electric Fields Charles Lin (Fri Feb 19 2016 - 15:07:49 PST)
- [AMBER-Developers] removing unused branches from git.ambermd.org David A Case (Sat Feb 20 2016 - 07:06:57 PST)
- [AMBER-Developers] polar solvation decomposition in MMPBSA.py broken Jason Swails (Sun Feb 21 2016 - 11:20:12 PST)
- [AMBER-Developers] Multi-thread make is broken again Ray Luo (Mon Feb 22 2016 - 11:44:16 PST)
- [AMBER-Developers] Quick and CUDA in AmberTools Ross Walker (Tue Feb 23 2016 - 07:29:41 PST)
- [AMBER-Developers] git logs and squashing commits David A Case (Wed Feb 24 2016 - 09:22:18 PST)
- [AMBER-Developers] a note regarding qm/mm shake Timothy J Giese (Thu Feb 25 2016 - 13:06:01 PST)
- [AMBER-Developers] Compile Problem Daniel Roe (Fri Feb 26 2016 - 09:01:38 PST)
- [AMBER-Developers] ioutfm = 0 Ross Walker (Fri Feb 26 2016 - 12:12:54 PST)
- [AMBER-Developers] RISM tests segfaulting Daniel Roe (Fri Feb 26 2016 - 14:57:37 PST)
- [AMBER-Developers] changing headers, other cosmetic changes to Amber outputs David A Case (Sat Feb 27 2016 - 06:34:55 PST)
- [AMBER-Developers] next phase of preparing for the Amber16 release David A Case (Sat Feb 27 2016 - 07:17:23 PST)
- [AMBER-Developers] bug in frcmod.modrna08 Jason Swails (Mon Feb 29 2016 - 19:05:47 PST)
- [AMBER-Developers] Reminder: Contest for cover art for the next manual David A Case (Tue Mar 01 2016 - 11:31:08 PST)
- [AMBER-Developers] mm_pbsa.pl: test src/mm_pbsa/Examples/04_MMPBSA_NmodeNAB fails Holger Gohlke (Thu Mar 03 2016 - 00:32:05 PST)
- [AMBER-Developers] Posting test results to the Amber wiki David A Case (Thu Mar 03 2016 - 12:56:31 PST)
- [AMBER-Developers] problems with sander compiliation with -rism, -mpi and Intel 16.0.1 David A Case (Fri Mar 04 2016 - 07:07:17 PST)
- [AMBER-Developers] SINR test not being run in parallel. Ross Walker (Fri Mar 04 2016 - 14:02:16 PST)
- [AMBER-Developers] pmemd.MPI build broken Jason Swails (Fri Mar 04 2016 - 23:18:23 PST)
- [AMBER-Developers] weirdness in gb_ene_hybrid.F90 David A Case (Sat Mar 05 2016 - 05:56:41 PST)
- [AMBER-Developers] thoughts on gamma_ln? Adrian Roitberg (Wed Mar 09 2016 - 06:33:10 PST)
- [AMBER-Developers] reference os+compiler systems Gerald Monard (Thu Mar 10 2016 - 01:48:45 PST)
- [AMBER-Developers] testing, code freeze, release schedules - am dev meeting topic ? Scott Brozell (Thu Mar 10 2016 - 10:35:36 PST)
- [AMBER-Developers] .gitignore Gerald Monard (Tue Mar 15 2016 - 15:33:15 PDT)
- [AMBER-Developers] Python build error Brent Krueger (Fri Mar 18 2016 - 13:55:56 PDT)
- [AMBER-Developers] MPICH Failures for REMD - PMEMD Charles Lin (Sat Mar 19 2016 - 14:57:26 PDT)
- [AMBER-Developers] Issues building git master on SDSC comet Ross Walker (Tue Mar 22 2016 - 16:18:44 PDT)
- [AMBER-Developers] Intel compiler optimizations for Intel MPI not working for older versions Daniel Roe (Tue Mar 22 2016 - 20:22:50 PDT)
- [AMBER-Developers] restraints Adrian Roitberg (Fri Mar 25 2016 - 12:17:22 PDT)
- Re: [AMBER-Developers] [AMBER] Any issues if I make PMEMD understand bonds span imaging? Jason Swails (Wed Apr 06 2016 - 13:56:41 PDT)
- [AMBER-Developers] Next major release of Amber Benjamin Roberts (Thu Apr 14 2016 - 18:56:57 PDT)
- [AMBER-Developers] real near-freeze of master git branch for Amber David A Case (Thu Apr 21 2016 - 10:11:27 PDT)
- [AMBER-Developers] Release candidate 2 for Amber16 and AmberTools16 David A Case (Fri Apr 22 2016 - 06:50:47 PDT)
- [AMBER-Developers] rism xblas Scott Brozell (Mon Apr 25 2016 - 20:03:16 PDT)
- [AMBER-Developers] Amber16 release, re-opening of the master branch for commits David A Case (Sat Apr 30 2016 - 18:18:24 PDT)
- [AMBER-Developers] AMBER Master Branch Charles Lin (Mon May 16 2016 - 10:46:20 PDT)
- [AMBER-Developers] Amber and gcc6 David A Case (Mon May 23 2016 - 14:57:29 PDT)
- [AMBER-Developers] Parallel make failing Daniel Roe (Thu May 26 2016 - 07:40:12 PDT)
- [AMBER-Developers] CPPTRAJ: dpeaks clustering Yinglong Miao (Tue May 31 2016 - 10:36:31 PDT)
- [AMBER-Developers] Tests Errors in AmberTools Claudia Ramírez (Wed Jun 08 2016 - 09:17:26 PDT)
- [AMBER-Developers] reminder about updates David A Case (Tue Jun 21 2016 - 17:57:37 PDT)
- Re: [AMBER-Developers] [GIT] git repository for AMBER: colorizing message after fininishing ./configure2 Ross Walker (Fri Jul 01 2016 - 16:01:08 PDT)
- [AMBER-Developers] new merge Adrian Roitberg (Thu Jul 07 2016 - 13:43:44 PDT)
- [AMBER-Developers] mic_native nfe_lib Scott Brozell (Wed Jul 27 2016 - 13:34:35 PDT)
- Re: [AMBER-Developers] Any idea about this Amber compile bug? Scott Brozell (Thu Sep 01 2016 - 22:49:38 PDT)
- [AMBER-Developers] Hessian matrix print in AMBER Pengfei Li (Fri Sep 02 2016 - 04:59:39 PDT)
- [AMBER-Developers] integer limit for nstlim B. Lachele Foley (Wed Sep 07 2016 - 21:36:23 PDT)
- [AMBER-Developers] New QM/MM interface Bence Hégely (Thu Sep 08 2016 - 06:49:44 PDT)
- [AMBER-Developers] Installing quick and quick.cuda David Cerutti (Wed Sep 14 2016 - 08:35:41 PDT)
- [AMBER-Developers] Tutorials David Cerutti (Tue Sep 27 2016 - 15:39:39 PDT)
- [AMBER-Developers] Tutorials, II David Cerutti (Thu Sep 29 2016 - 15:30:24 PDT)
- [AMBER-Developers] Website redesign, art contest, and a project for an intern (or, Tutorials, III) David Cerutti (Sun Oct 09 2016 - 14:18:44 PDT)
- [AMBER-Developers] AMBER + Docker + configure B. Lachele Foley (Mon Oct 10 2016 - 05:34:26 PDT)
- [AMBER-Developers] About redq potential Pengfei Li (Mon Oct 10 2016 - 08:05:44 PDT)
- [AMBER-Developers] Docker Image for AmberTools B. Lachele Foley (Wed Oct 12 2016 - 08:52:40 PDT)
- [AMBER-Developers] Looking for programming- and simulation-savvy postdocs Michael R Shirts (Wed Oct 12 2016 - 16:56:33 PDT)
- [AMBER-Developers] New Laboratory for Biomolecular Simulation Research at Rutgers Darrin York (Mon Oct 17 2016 - 12:06:02 PDT)
- [AMBER-Developers] Format changes coming to force.F90, runmd.F90, sander.F90 David Cerutti (Thu Oct 27 2016 - 14:42:06 PDT)
- [AMBER-Developers] Look at the sorts of error messages gromacs provides David A Case (Sat Oct 29 2016 - 15:56:47 PDT)
- [AMBER-Developers] Klaus Schulten David A Case (Mon Oct 31 2016 - 11:50:09 PDT)
- [AMBER-Developers] About GB Atomic Radii for Calculating SASA Pengfei Li (Fri Nov 18 2016 - 09:48:52 PST)
- [AMBER-Developers] End of an era... David A Case (Tue Nov 22 2016 - 05:30:19 PST)
- [AMBER-Developers] checking parallel configuration for previous serial build David A Case (Sat Dec 10 2016 - 06:41:37 PST)
- Re: [AMBER-Developers] [AMBER] Error: an illegal memory access was encountered launching kernel kClearForces Josh Berryman (Mon Dec 12 2016 - 02:23:26 PST)
- [AMBER-Developers] Compilation fails for pymdgx Daniel Roe (Mon Dec 12 2016 - 11:55:29 PST)
- [AMBER-Developers] Amber 'configure' now forcing miniconda? Daniel Roe (Wed Dec 21 2016 - 08:12:58 PST)
- Re: [AMBER-Developers] Fwd: Amber 'configure' now forcing miniconda? David Case (Wed Dec 21 2016 - 10:23:44 PST)
- [AMBER-Developers] [david.case.rutgers.edu: Re: Amber 'configure' now forcing miniconda?] David Case (Wed Dec 21 2016 - 19:04:19 PST)
- [AMBER-Developers] A present that runs on tracks David Cerutti (Tue Dec 27 2016 - 15:10:10 PST)
- [AMBER-Developers] About CHARMM rtf file Pengfei Li (Sat Jan 07 2017 - 10:24:10 PST)
- [AMBER-Developers] amber17: parallel build without serial build Hai Nguyen (Sun Jan 15 2017 - 16:53:36 PST)
- [AMBER-Developers] Status of the "cray" targets in AmberTools/src/Makefile? David Case (Mon Jan 16 2017 - 09:41:55 PST)
- [AMBER-Developers] (no subject) Daniel Roe (Tue Jan 17 2017 - 09:04:37 PST)
- Re: [AMBER-Developers] Amber Workshop in Jerusalem? David Case (Thu Jan 19 2017 - 04:53:37 PST)
- [AMBER-Developers] [chikira.kc.chuo-u.ac.jp: Re: [AMBER] adqmmm with PM6 for copper complex] David Case (Sat Jan 21 2017 - 18:53:07 PST)
- [AMBER-Developers] configure --prefix Hai Nguyen (Wed Jan 25 2017 - 12:31:49 PST)
- [AMBER-Developers] About switching function in CHARMM and AMBER Pengfei Li (Fri Feb 03 2017 - 12:30:27 PST)
- [AMBER-Developers] pbsa: avoid "make clean" if whenever make install? Hai Nguyen (Mon Feb 06 2017 - 11:30:24 PST)
- [AMBER-Developers] no AMBERHOME Hai Nguyen (Mon Feb 06 2017 - 13:48:12 PST)
- [AMBER-Developers] Should we add more troubleshooting to the Makefile? David Cerutti (Mon Feb 06 2017 - 16:44:46 PST)
- [AMBER-Developers] simplified install process (e.g: no AMBERHOME, no sourcing amber.sh) Hai Nguyen (Fri Feb 10 2017 - 18:48:57 PST)
- Re: [AMBER-Developers] simplified install process (e.g: no AMBERHOME, no sourcing amber.sh) David Case (Sat Feb 11 2017 - 07:34:55 PST)
- Re: [AMBER-Developers] simplified install process (e.g: no AMBERHOME, no sourcing amber.sh) Hai Nguyen (Sat Feb 11 2017 - 07:50:54 PST)
- Re: [AMBER-Developers] simplified install process (e.g: no AMBERHOME, no sourcing amber.sh) Scott Brozell (Sat Feb 11 2017 - 14:59:43 PST)
- Re: [AMBER-Developers] simplified install process (e.g: no AMBERHOME, no sourcing amber.sh) Jason Swails (Sat Feb 11 2017 - 15:57:50 PST)
- Re: [AMBER-Developers] simplified install process (e.g: no AMBERHOME, no sourcing amber.sh) Scott Brozell (Sat Feb 11 2017 - 21:51:28 PST)
- Re: [AMBER-Developers] simplified install process (e.g: no AMBERHOME, no sourcing amber.sh) Hai Nguyen (Sat Feb 11 2017 - 22:15:26 PST)
- Re: [AMBER-Developers] simplified install process (e.g: no AMBERHOME, no sourcing amber.sh) Ross Walker (Sat Feb 11 2017 - 18:07:17 PST)
- Re: [AMBER-Developers] simplified install process (e.g: no AMBERHOME, no sourcing amber.sh) Jason Swails (Sat Feb 11 2017 - 18:15:42 PST)
- Re: [AMBER-Developers] simplified install process (e.g: no AMBERHOME, no sourcing amber.sh) Ross Walker (Sat Feb 11 2017 - 18:17:50 PST)
- Re: [AMBER-Developers] simplified install process (e.g: no AMBERHOME, no sourcing amber.sh) Jason Swails (Sat Feb 11 2017 - 18:22:31 PST)
- Re: [AMBER-Developers] simplified install process (e.g: no AMBERHOME, no sourcing amber.sh) Scott Le Grand (Sun Feb 12 2017 - 08:12:06 PST)
- Re: [AMBER-Developers] simplified install process (e.g: no AMBERHOME, no sourcing amber.sh) Jason Swails (Sun Feb 12 2017 - 11:03:22 PST)
- Re: [AMBER-Developers] simplified install process (e.g: no AMBERHOME, no sourcing amber.sh) Scott Le Grand (Sun Feb 12 2017 - 11:23:23 PST)
- Re: [AMBER-Developers] simplified install process (e.g: no AMBERHOME, no sourcing amber.sh) Christian Schafmeister (Sun Feb 12 2017 - 11:29:44 PST)
- Re: [AMBER-Developers] simplified install process (e.g: no AMBERHOME, no sourcing amber.sh) Hai Nguyen (Sat Feb 11 2017 - 18:56:35 PST)
- Re: [AMBER-Developers] simplified install process (e.g: no AMBERHOME, no sourcing amber.sh) Ross Walker (Sat Feb 11 2017 - 19:46:14 PST)
- Re: [AMBER-Developers] simplified install process (e.g: no AMBERHOME, no sourcing amber.sh) Scott Le Grand (Sun Feb 12 2017 - 11:49:06 PST)
- [AMBER-Developers] PDB Preprocessor B. Lachele Foley (Fri Feb 17 2017 - 08:13:33 PST)
- [AMBER-Developers] Do we ever use the files in AMBERHOME/dat/chamber? David Case (Sat Feb 18 2017 - 12:34:01 PST)
- [AMBER-Developers] having tleap fail when input files are not found David Case (Mon Feb 20 2017 - 08:48:10 PST)
- [AMBER-Developers] annual cover art contest David Case (Thu Feb 23 2017 - 05:51:24 PST)
- [AMBER-Developers] AmberTools "continuous" integration on travis and circleci Hai Nguyen (Fri Feb 24 2017 - 08:16:22 PST)
- [AMBER-Developers] Code freeze deadline for AmberTools17 David Case (Tue Feb 28 2017 - 05:08:22 PST)
- [AMBER-Developers] public outreach material - Three cheers for science ! Scott Brozell (Tue Feb 28 2017 - 14:18:45 PST)
- [AMBER-Developers] patch Yong Duan (Wed Mar 01 2017 - 21:31:47 PST)
- [AMBER-Developers] CUDA build fails for PBSA Daniel Roe (Tue Mar 07 2017 - 09:48:58 PST)
- [AMBER-Developers] extension of code-freeze deadline David Case (Tue Mar 07 2017 - 12:02:31 PST)
- [AMBER-Developers] Please help me populate the "new features in AmberTools17" list David Case (Thu Mar 09 2017 - 08:13:08 PST)
- [AMBER-Developers] About Intel Iris Graphics card pengfei li (Thu Mar 09 2017 - 09:16:15 PST)
- [AMBER-Developers] About cutoffs in sander pengfei li (Mon Mar 13 2017 - 10:06:50 PDT)
- [AMBER-Developers] xblas codes (tracked in amber git) are changed after installing amber Hai Nguyen (Wed Mar 15 2017 - 21:25:30 PDT)
- [AMBER-Developers] Update of PBSA and minor change of configure2 Ruxi Qi (Wed Mar 15 2017 - 23:54:49 PDT)
- [AMBER-Developers] PBSA license Hai Nguyen (Fri Mar 17 2017 - 11:33:51 PDT)
- [AMBER-Developers] A question about distance criteria in AMBER mask pengfei li (Fri Mar 17 2017 - 12:19:01 PDT)
- [AMBER-Developers] please treat the master git branch as temporarily frozen David Case (Sat Mar 18 2017 - 08:09:34 PDT)
- [AMBER-Developers] invitation to start posting AmberTools17 test results David Case (Mon Mar 20 2017 - 13:20:33 PDT)
- [AMBER-Developers] cpptraj mkl Scott Brozell (Mon Mar 20 2017 - 19:08:54 PDT)
- [AMBER-Developers] question about MC barostat Adrian Roitberg (Tue Mar 21 2017 - 13:52:54 PDT)
- [AMBER-Developers] mdgx license conflict with fftw Hai Nguyen (Wed Mar 22 2017 - 20:49:27 PDT)
- [AMBER-Developers] bz2 configure error report Ruxi Qi (Thu Mar 23 2017 - 13:01:25 PDT)
- [AMBER-Developers] [cneale.lanl.gov: [AMBER] Benign typo for a constant in barostats.F90] David Case (Fri Mar 24 2017 - 06:11:27 PDT)
- [AMBER-Developers] [cneale.lanl.gov: Re: [AMBER] REMD with pressure coupling] David Case (Fri Mar 24 2017 - 06:12:35 PDT)
- [AMBER-Developers] web site inaccessible? Gerald Monard (Mon Mar 27 2017 - 06:46:05 PDT)
- [AMBER-Developers] First release candidate for AmberTools17; git info David Case (Tue Mar 28 2017 - 11:37:57 PDT)
- [AMBER-Developers] AmberTools17, intel, -mkl vs setting MKL_HOME David Case (Fri Mar 31 2017 - 08:24:43 PDT)
- [AMBER-Developers] About ntt=2 in AMBER pengfei li (Sat Apr 01 2017 - 12:04:10 PDT)
- [AMBER-Developers] Second release candidate for AmberTools17 David Case (Mon Apr 03 2017 - 08:26:47 PDT)
- [AMBER-Developers] Energy conservation problems with pmemd.CUDA Tyler Luchko (Lists) (Tue Apr 04 2017 - 11:10:06 PDT)
- [AMBER-Developers] current master not compiling cuda? Daniel Mermelstein (Tue Apr 04 2017 - 12:32:26 PDT)
- [AMBER-Developers] New website David Cerutti (Thu Apr 06 2017 - 11:17:56 PDT)
- [AMBER-Developers] AmberTools17 release is upon us David A Case (Fri Apr 07 2017 - 06:53:13 PDT)
- [AMBER-Developers] Third (and last?!?) release candidate for AmberTools17 David Case (Thu Apr 13 2017 - 09:58:13 PDT)
- [AMBER-Developers] download nightly build Hai Nguyen (Thu Apr 13 2017 - 21:12:32 PDT)
- [AMBER-Developers] One last AmberTools17 sanity check David Case (Mon Apr 17 2017 - 13:14:02 PDT)
- [AMBER-Developers] Code review of pmemd.cuda David Cerutti (Mon Apr 17 2017 - 15:00:01 PDT)
- [AMBER-Developers] need updates to the contributors.html page David Case (Mon Apr 17 2017 - 18:29:25 PDT)
- [AMBER-Developers] what programs are using scipy? David Case (Thu Apr 20 2017 - 10:47:04 PDT)
- [AMBER-Developers] sqm nondeterminism Scott Brozell (Mon Apr 24 2017 - 13:37:22 PDT)
- [AMBER-Developers] Possible free trip to Durban, South Africa. Adrian Roitberg (Tue May 09 2017 - 13:29:54 PDT)
- [AMBER-Developers] A hello and some submodules! Jason Swails (Wed May 10 2017 - 20:15:28 PDT)
- [AMBER-Developers] On the precision of SPFP in pmemd.cuda David Cerutti (Tue May 16 2017 - 19:10:05 PDT)
- [AMBER-Developers] NetCDF & Restart Files Charles Lin (Thu May 18 2017 - 10:22:28 PDT)
- [AMBER-Developers] external GPU Adrian Roitberg (Thu May 18 2017 - 14:23:08 PDT)
- [AMBER-Developers] Switching from a branch with submodules to one without Daniel Roe (Fri May 19 2017 - 06:15:13 PDT)
- [AMBER-Developers] pmemd.cuda SpeedBoost branch David Cerutti (Sat May 20 2017 - 06:57:07 PDT)
- [AMBER-Developers] sebomd failed: all music namelist not found Hai Nguyen (Sat May 20 2017 - 09:39:06 PDT)
- [AMBER-Developers] CO2 chemistry Scott Brozell (Thu Jun 01 2017 - 10:58:57 PDT)
- [AMBER-Developers] About the reproducibility of MD simulations pengfei li (Mon Jun 05 2017 - 07:22:35 PDT)
- [AMBER-Developers] Cannot access submodules (due to odd permissions?) David Cerutti (Mon Jun 12 2017 - 08:08:40 PDT)
- [AMBER-Developers] Problem with SHAKE on pmemd.MPI only Cruzeiro,Vinicius Wilian D (Wed Jun 21 2017 - 11:22:46 PDT)
- [AMBER-Developers] python dependency Brent Krueger (Fri Jun 23 2017 - 11:41:50 PDT)
- [AMBER-Developers] Leap does not add the correct parameters for TIP4PEW water Ilyas Yildirim (Wed Jul 12 2017 - 08:41:39 PDT)
- [AMBER-Developers] recent changes to the master branch at git.ambermd.org David A Case (Tue Aug 01 2017 - 14:16:45 PDT)
- [AMBER-Developers] mpi4py won't be installed via configure_python Hai Nguyen (Fri Aug 18 2017 - 23:48:41 PDT)
- [AMBER-Developers] Volunteer needed to look at the wiki portion of the Amber web site David A Case (Thu Aug 31 2017 - 12:37:50 PDT)
- [AMBER-Developers] Test cases have been fixed: paths ot executables work again David Cerutti (Tue Sep 05 2017 - 23:43:56 PDT)
- [AMBER-Developers] Looking for another volunteer--make a "fast" test suite? David A Case (Wed Sep 06 2017 - 06:00:52 PDT)
- [AMBER-Developers] Problems with compiling AMBER Git master Yinglong Miao (Fri Sep 15 2017 - 14:37:00 PDT)
- [AMBER-Developers] I don't want to change these files... really! David Cerutti (Wed Sep 20 2017 - 11:22:46 PDT)
- [AMBER-Developers] Changes to the CMake build system Jamie Smith (Sun Oct 01 2017 - 22:34:36 PDT)
- [AMBER-Developers] pmemd external force Sergio Decherchi at IIT (Mon Oct 02 2017 - 01:35:07 PDT)
- [AMBER-Developers] Does -noopt really mean no optimizations? David Cerutti (Tue Oct 03 2017 - 22:02:26 PDT)
- [AMBER-Developers] git submodule problem Yinglong Miao (Fri Oct 06 2017 - 09:43:30 PDT)
- [AMBER-Developers] Program xyz not in amber anymore Hai Nguyen (Fri Oct 06 2017 - 15:38:06 PDT)
- [AMBER-Developers] public outreach: heavy elements and neutron star collisions Scott Brozell (Mon Oct 16 2017 - 11:04:40 PDT)
- [AMBER-Developers] [david.case.rutgers.edu: Re: [AMBER] disulfide bonds braking during MD simulation] David A Case (Wed Oct 25 2017 - 04:58:24 PDT)
- [AMBER-Developers] Oops, I introduced a bug into pmemd.cuda_SPFP (master branch), but how shall I resolve it? David Cerutti (Wed Oct 25 2017 - 10:09:29 PDT)
- Re: [AMBER-Developers] Oops, I introduced a bug into pmemd.cuda_SPFP (master branch), but how shall I resolve it? Daniel Roe (Wed Oct 25 2017 - 13:04:52 PDT)
- Re: [AMBER-Developers] Oops, I introduced a bug into pmemd.cuda_SPFP (master branch), but how shall I resolve it? David Cerutti (Wed Oct 25 2017 - 13:16:38 PDT)
- Re: [AMBER-Developers] Oops, I introduced a bug into pmemd.cuda_SPFP (master branch), but how shall I resolve it? Jason Swails (Wed Oct 25 2017 - 13:52:43 PDT)
- Re: [AMBER-Developers] Oops, I introduced a bug into pmemd.cuda_SPFP (master branch), but how shall I resolve it? Hai Nguyen (Wed Oct 25 2017 - 15:48:41 PDT)
- Re: [AMBER-Developers] Oops, I introduced a bug into pmemd.cuda_SPFP (master branch), but how shall I resolve it? Jason Swails (Wed Oct 25 2017 - 15:50:47 PDT)
- Re: [AMBER-Developers] Oops, I introduced a bug into pmemd.cuda_SPFP (master branch), but how shall I resolve it? Ross Walker (Wed Oct 25 2017 - 17:58:29 PDT)
- Re: [AMBER-Developers] Oops, I introduced a bug into pmemd.cuda_SPFP (master branch), but how shall I resolve it? Daniel Roe (Thu Oct 26 2017 - 05:49:41 PDT)
- Re: [AMBER-Developers] Oops, I introduced a bug into pmemd.cuda_SPFP (master branch), but how shall I resolve it? David Cerutti (Thu Oct 26 2017 - 12:26:12 PDT)
- Re: [AMBER-Developers] Oops, I introduced a bug into pmemd.cuda_SPFP (master branch), but how shall I resolve it? Ross Walker (Thu Oct 26 2017 - 17:09:47 PDT)
- [AMBER-Developers] Zeroing forces of specific atoms Parker de Waal (Tue Oct 31 2017 - 09:20:46 PDT)
- [AMBER-Developers] Problem with Fortran-CUDA interface Yinglong Miao (Fri Nov 03 2017 - 07:35:03 PDT)
- [AMBER-Developers] TIPS: git pull && git submodule update Hai Nguyen (Mon Nov 06 2017 - 21:35:38 PST)
- [AMBER-Developers] MPI Amber build is broken Jamie Smith (Tue Nov 07 2017 - 00:46:18 PST)
- [AMBER-Developers] NMR restraints and re-imaging David Cerutti (Wed Nov 08 2017 - 11:46:59 PST)
- [AMBER-Developers] Deviated energy outputs from MPI code Yinglong Miao (Fri Dec 01 2017 - 09:26:41 PST)
- [AMBER-Developers] Names of ACE hydrogens Holger Gohlke (Fri Dec 08 2017 - 00:21:04 PST)
- [AMBER-Developers] weird behavior for pmemd.cuda on Volta cards David A Case (Fri Dec 08 2017 - 06:11:15 PST)
- [AMBER-Developers] git tracking of netcdf config files Scott Brozell (Fri Dec 08 2017 - 10:51:39 PST)
- [AMBER-Developers] Please have a look at the NewFormat webpage branch David Cerutti (Mon Dec 11 2017 - 22:30:26 PST)
- [AMBER-Developers] New pmemd-GTI branch available for testing David Cerutti (Sat Dec 23 2017 - 10:11:26 PST)
- [AMBER-Developers] Please read: we need to look at pmemd.cuda pair list fidelity David Cerutti (Mon Jan 15 2018 - 19:11:15 PST)
- Re: [AMBER-Developers] [AMBER] Amber 16.12 and 12-6-4 force field Problem David A Case (Fri Jan 19 2018 - 06:53:05 PST)
- [AMBER-Developers] is anyone running tests using the CMake option? David A Case (Sat Jan 20 2018 - 07:42:16 PST)
- [AMBER-Developers] anyone doing cloud-computing development? David A Case (Mon Jan 22 2018 - 07:28:27 PST)
- [AMBER-Developers] GTI merge into master branch Darrin Y (Wed Jan 24 2018 - 08:48:23 PST)
- [AMBER-Developers] tleap error handling Scott Brozell (Thu Jan 25 2018 - 13:35:46 PST)
- [AMBER-Developers] New Format web site David A Case (Mon Jan 29 2018 - 06:50:48 PST)
- [AMBER-Developers] PMEMD Serial Bonded Issue? Charles Lin (Fri Feb 02 2018 - 11:49:02 PST)
- [AMBER-Developers] Getting ready for Amber18/AmberTools18 David A Case (Sun Feb 18 2018 - 18:52:51 PST)
- [AMBER-Developers] problem connecting to amber git Ruxi Qi (Fri Feb 23 2018 - 11:25:55 PST)
- [AMBER-Developers] parallel test errors: missing mdin files? David A Case (Mon Mar 05 2018 - 06:08:41 PST)
- [AMBER-Developers] getting ready for the Amber18 release David A Case (Tue Mar 06 2018 - 09:09:49 PST)
- [AMBER-Developers] Need to update submodule before pushing to master Hai Nguyen (Wed Mar 07 2018 - 18:10:56 PST)
- [AMBER-Developers] Amber18/AmberTools18 release candidate 1 David A Case (Fri Mar 09 2018 - 19:00:30 PST)
- [AMBER-Developers] cuda serial compiling error Feng Pan (Sun Mar 11 2018 - 15:27:11 PDT)
- [AMBER-Developers] Amber18/AmberTools18 release candidate 2 David A Case (Sat Mar 17 2018 - 06:46:02 PDT)
- [AMBER-Developers] Volunteers needed for some Amber18 release issues David A Case (Mon Mar 19 2018 - 06:31:37 PDT)
- [AMBER-Developers] About the amber18-with-patches branch David A Case (Mon Mar 19 2018 - 06:38:58 PDT)
- [AMBER-Developers] Please be careful in updating Amber.lyx and amber.bib David A Case (Wed Mar 21 2018 - 06:11:44 PDT)
- [AMBER-Developers] Amber18/AmberTools18 release candidate 3 David A Case (Sat Mar 24 2018 - 06:12:20 PDT)
- [AMBER-Developers] request for Volunteers, part 2 David A Case (Sat Mar 24 2018 - 07:38:34 PDT)
- [AMBER-Developers] Problems with cpptraj and fftw3 configure on MacOS David A Case (Sat Mar 24 2018 - 13:57:31 PDT)
- [AMBER-Developers] Intel compilers and Amber18 David A Case (Mon Mar 26 2018 - 06:41:24 PDT)
- [AMBER-Developers] various build issues for Amber18 release David A Case (Tue Mar 27 2018 - 10:05:36 PDT)
- [AMBER-Developers] Amber18/AmberTools18 release candidate 4 David A Case (Mon Apr 02 2018 - 08:17:13 PDT)
- [AMBER-Developers] About the HW-OW-HW angle force constant pengfei li (Wed Apr 04 2018 - 17:14:05 PDT)
- [AMBER-Developers] pmemd.MPI rxsgld_4rep test segfault/hang Daniel Roe (Fri Apr 06 2018 - 10:34:15 PDT)
- [AMBER-Developers] intel 16.0.3 compilation error Scott Brozell (Fri Apr 06 2018 - 18:43:24 PDT)
- [AMBER-Developers] Amber18/AmberTools18 release candidate 5 David A Case (Tue Apr 10 2018 - 13:24:29 PDT)
- [AMBER-Developers] pmemd.gem Scott Brozell (Wed Apr 11 2018 - 19:41:40 PDT)
- [AMBER-Developers] nb_pairlist.F90 Brent Krueger (Thu Apr 12 2018 - 05:20:11 PDT)
- [AMBER-Developers] Amber18/AmberTools18 has gone live David A Case (Tue Apr 17 2018 - 06:39:33 PDT)
- [AMBER-Developers] Is there something wrong in the "middle" scheme of AmberTools 18? Pengfei Li (Sun May 20 2018 - 21:03:26 PDT)
- [AMBER-Developers] pmemd.cuda incorrectly flags SHAKEH errors with CHARMM prmtops David A Case (Tue May 22 2018 - 04:57:01 PDT)
- [AMBER-Developers] pmemd memory Scott Brozell (Thu May 24 2018 - 11:18:41 PDT)
- [AMBER-Developers] moving to LyX 2.3 for Amber.lyx David A Case (Tue Jun 12 2018 - 05:34:50 PDT)
- [AMBER-Developers] Random crashes AMBER 18 on GPUs Ross Walker (Thu Jun 14 2018 - 13:13:29 PDT)
- [AMBER-Developers] A new way to git Jason Swails (Sun Jun 17 2018 - 18:06:14 PDT)
- [AMBER-Developers] Deprecated messages in CUDA compilations.... STOP! David Cerutti (Fri Jun 22 2018 - 12:19:59 PDT)
- [AMBER-Developers] DESRES nucleic acid force field files? David A Case (Fri Jul 06 2018 - 19:01:58 PDT)
- [AMBER-Developers] Jenkins and continuous integration Jason Swails (Sat Jul 07 2018 - 13:50:26 PDT)
- [AMBER-Developers] What's going on with energy drift? David Cerutti (Thu Aug 02 2018 - 22:53:22 PDT)
- [AMBER-Developers] Amber development news, August 2018 David A Case (Tue Aug 14 2018 - 08:45:00 PDT)
- [AMBER-Developers] Beginning a broad cleanup on pmemd Fortran source David Cerutti (Wed Aug 15 2018 - 14:03:41 PDT)
- [AMBER-Developers] updates of NFE module with the potential energies Feng Pan (Sat Sep 29 2018 - 20:53:33 PDT)
- [AMBER-Developers] Some small fixes to AmberTools18 Åke Sandgren (Wed Oct 31 2018 - 23:39:05 PDT)
- [AMBER-Developers] Postdoc openings in Maryland CADD center Shen, Jana (Thu Nov 01 2018 - 07:01:53 PDT)
- [AMBER-Developers] IEEE_OVERFLOW_FLAG Kellon Belfon (Tue Nov 06 2018 - 11:16:43 PST)
- [AMBER-Developers] The continuous integration is failing! Prof. Ræv Skræv (Wed Dec 05 2018 - 09:32:19 PST)
- [AMBER-Developers] Getting ready for AmberTools19 David A Case (Wed Jan 16 2019 - 10:07:55 PST)
- [AMBER-Developers] About IEEE warnings in pmemd.cuda pengfei li (Fri Jan 18 2019 - 19:38:26 PST)
- [AMBER-Developers] Request for testing new cuda code updates David A Case (Tue Jan 29 2019 - 07:51:54 PST)
- [AMBER-Developers] Slouching towards AmberTools19 David A Case (Fri Feb 08 2019 - 10:12:59 PST)
- [AMBER-Developers] Small update to nab.c for one more buffer overrun. Åke Sandgren (Thu Feb 28 2019 - 04:21:37 PST)
- [AMBER-Developers] code freeze date for AmberTools19 David A Case (Wed Mar 06 2019 - 12:57:10 PST)
- [AMBER-Developers] 2019 Reference Manual artwork competition David A Case (Thu Mar 07 2019 - 07:17:18 PST)
- Re: [AMBER-Developers] Segfault in pmemd or sander on heating David Cerutti (Mon Mar 18 2019 - 16:37:05 PDT)
- [AMBER-Developers] AmberTools19: release candidate 1 David Case (Thu Apr 04 2019 - 19:26:38 PDT)
- [AMBER-Developers] Final push: AmberTools19 release candidate 3 David A Case (Fri Apr 19 2019 - 08:43:34 PDT)
- [AMBER-Developers] list of signficant new features in AmberTools19? David A Case (Fri Apr 19 2019 - 12:23:33 PDT)
- [AMBER-Developers] Getting there: release candidate 4 for AmberTools19 David Case (Tue Apr 23 2019 - 07:56:45 PDT)
- [AMBER-Developers] AmberTools19: still a (short) to-do list David A Case (Fri Apr 26 2019 - 12:41:18 PDT)
- [AMBER-Developers] Postdoc opening Merz, Kenneth (Tue Apr 30 2019 - 12:40:00 PDT)
- [AMBER-Developers] AmberTools and the EasyBuild system David A Case (Thu May 23 2019 - 08:15:43 PDT)
- [AMBER-Developers] New GB simulation engine: mdgx.cuda David Cerutti (Thu May 23 2019 - 10:23:43 PDT)
- [AMBER-Developers] Reporting Amber bugs and issues David Case (Thu Jun 13 2019 - 12:32:39 PDT)
- [AMBER-Developers] ff19SB files Carlos Simmerling (Tue Jul 30 2019 - 11:42:54 PDT)
- [AMBER-Developers] TI calculations using AMBER - is it ok to run constant pressure step before TI step? Christian Schafmeister (Tue Aug 06 2019 - 18:36:55 PDT)
- [AMBER-Developers] Singularity and Amber Gerald Monard (Thu Aug 29 2019 - 13:35:49 PDT)
- [AMBER-Developers] Langridge B-DNA vs Arnott B-DNA pengfei li (Wed Sep 04 2019 - 12:21:14 PDT)
- [AMBER-Developers] Updates to how Amber handles softcore free energy calculations David A Case (Thu Sep 05 2019 - 06:39:30 PDT)
- [AMBER-Developers] ff19SB force field patches on ambermd.org Carlos Simmerling (Tue Sep 10 2019 - 10:07:10 PDT)
- [AMBER-Developers] requirement for an even number of replicas in replica exchange? David Case (Wed Sep 25 2019 - 07:12:03 PDT)
- Re: [AMBER-Developers] Amber18 and Windows support David Case (Thu Sep 26 2019 - 13:31:55 PDT)
- [AMBER-Developers] Cryo em refinement Carlos Simmerling (Sat Oct 05 2019 - 14:02:45 PDT)
- [AMBER-Developers] Problem with ambermd.org's https certificate Åke Sandgren (Wed Oct 16 2019 - 01:54:30 PDT)
- [AMBER-Developers] Broken link in Amber webpage Gustavo Seabra (Wed Oct 23 2019 - 12:26:01 PDT)
- [AMBER-Developers] coda code help Yong Duan (Mon Oct 28 2019 - 14:09:08 PDT)
- [AMBER-Developers] Cuda code, Re: coda code help Yong Duan (Mon Oct 28 2019 - 16:01:10 PDT)
- [AMBER-Developers] Pytraj not compiling with Python 3.7 Gustavo Seabra (Thu Nov 14 2019 - 10:15:53 PST)
- [AMBER-Developers] Running TI and MBAR with GB Tyler Luchko (Lists) (Sun Jan 12 2020 - 14:56:30 PST)
- [AMBER-Developers] counting the number of tests Gerald Monard (Thu Jan 16 2020 - 05:41:24 PST)
- [AMBER-Developers] Please avoid DOS line endings Daniel Roe (Sat Feb 08 2020 - 05:47:15 PST)
- [AMBER-Developers] Getting ready for the 2020 Amber release David A Case (Wed Feb 12 2020 - 12:05:14 PST)
- [AMBER-Developers] GPU experts needed to edit the 2020 Reference Manual David A Case (Thu Feb 27 2020 - 06:39:30 PST)
- [AMBER-Developers] Will start a group at Loyola University Chicago pengfei li (Fri Feb 28 2020 - 07:22:19 PST)
- [AMBER-Developers] Target dates for the Amber20 release David A Case (Sun Mar 01 2020 - 14:14:29 PST)
- [AMBER-Developers] Revised plans for the Amber20 release David A Case (Sun Mar 22 2020 - 18:40:02 PDT)
- [AMBER-Developers] PSA: Please be careful when re-ordering Makefile targets Daniel Roe (Mon Mar 23 2020 - 11:45:20 PDT)
- [AMBER-Developers] Release Candidate 1 for Amber20/AmberTools20 David A Case (Fri Apr 03 2020 - 19:25:01 PDT)
- [AMBER-Developers] Developer opening at University of Maryland Shen, Jana (Thu Apr 09 2020 - 12:53:32 PDT)
- [AMBER-Developers] Release Candidate 2 for Amber20/AmberTools20 David A Case (Fri Apr 10 2020 - 09:06:15 PDT)
- [AMBER-Developers] Release candidate 3 for Amber20/AmberTools20 David A Case (Fri Apr 17 2020 - 13:33:01 PDT)
- [AMBER-Developers] building pmemd with both openmp and mpi? David A Case (Mon Apr 20 2020 - 05:44:30 PDT)
- [AMBER-Developers] Please help populate the list of changes for Amber20/AmberTools20 David A Case (Sat Apr 25 2020 - 18:24:28 PDT)
- [AMBER-Developers] Release candidate 4 for Amber20/AmberTools20 David A Case (Sat Apr 25 2020 - 18:27:54 PDT)
- [AMBER-Developers] Release candidate 5 for Amber20/AmberTools20 David A Case (Wed Apr 29 2020 - 04:42:54 PDT)
- [AMBER-Developers] Release candidate 6 for Amber20/AmberTools20 David A Case (Thu Apr 30 2020 - 14:00:30 PDT)
- [AMBER-Developers] Released version of Amber20/AmberTools20 David A Case (Sun May 03 2020 - 09:48:11 PDT)
- Re: [AMBER-Developers] [AMBER] FRCMOD FILE DATABASE Gustavo Seabra (Wed May 06 2020 - 06:16:39 PDT)
- [AMBER-Developers] Faster NetFrc Scott Le Grand (Thu May 21 2020 - 17:29:30 PDT)
- [AMBER-Developers] Bug in tleap, regarding mol2 printing David Cerutti (Tue May 26 2020 - 16:29:57 PDT)
- [AMBER-Developers] cmake install script for summit David A Case (Mon Jun 22 2020 - 18:34:17 PDT)
- [AMBER-Developers] Virtual site support in pmemd, pmemd.cuda, and mdgx David Cerutti (Wed Jun 24 2020 - 07:38:45 PDT)
- [AMBER-Developers] TI code errors Wu, Xiongwu (NIH/NHLBI) [E] (Wed Jul 01 2020 - 06:22:12 PDT)
- [AMBER-Developers] [ulf.ryde.teokem.lu.se: [AMBER] MBAR with Amber 18] David A Case (Wed Jul 08 2020 - 05:17:40 PDT)
- Re: [AMBER-Developers] Building AMBER 20 on POWER systems David A Case (Tue Jul 14 2020 - 08:26:55 PDT)
- [AMBER-Developers] GPU Context Singleton Scott Le Grand (Tue Jul 14 2020 - 09:42:19 PDT)
- [AMBER-Developers] [jlefman.nvidia.com: FW: Building AMBER 20 on POWER systems] David A Case (Tue Jul 14 2020 - 12:25:49 PDT)
- Re: [AMBER-Developers] Nvidia DGX A100 David A Case (Wed Jul 22 2020 - 12:03:41 PDT)
- [AMBER-Developers] Cmake: How does it work? Scott Le Grand (Thu Jul 30 2020 - 14:27:41 PDT)
- [AMBER-Developers] difference between arch=compute_60 and arch=compute_70? David A Case (Thu Jul 30 2020 - 18:28:53 PDT)
- Re: [AMBER-Developers] [AMBER] Parmed: Residues cannot be part of 2 molecules! Molecule section will not be correctly set. B. Lachele Foley (Thu Aug 06 2020 - 23:34:39 PDT)
- [AMBER-Developers] COnference Adrian Roitberg (Sat Aug 08 2020 - 08:49:25 PDT)
- [AMBER-Developers] [ulf.ryde.teokem.lu.se: [AMBER] MBAR with Amber 18] David A Case (Sat Aug 15 2020 - 04:56:28 PDT)
- [AMBER-Developers] [jonelil.mail.regent.edu: [AMBER] Time numbering problem with constant-pH simulations] David A Case (Tue Aug 18 2020 - 05:48:20 PDT)
- [AMBER-Developers] DNA conformation dataset Josh Berryman (Tue Aug 18 2020 - 08:04:53 PDT)
- Re: [AMBER-Developers] [EXT] DNA conformation dataset Josh Berryman (Tue Aug 18 2020 - 14:04:43 PDT)
- [AMBER-Developers] www.ambermd.org Carlos Simmerling (Thu Sep 10 2020 - 07:23:55 PDT)
- [AMBER-Developers] SWAP size Brent Krueger (Sat Sep 12 2020 - 05:21:30 PDT)
- Re: [AMBER-Developers] [AMBER] How does tleap detect improper torsions? David A Case (Thu Sep 24 2020 - 08:16:50 PDT)
- [AMBER-Developers] git clone http://gitlab.ambermd.org/amber/amber.git fails bigly after 1GB or so... Scott Le Grand (Thu Oct 01 2020 - 11:56:25 PDT)
- [AMBER-Developers] reposting: MBAR problem/bug that should be looked at David A Case (Mon Oct 19 2020 - 05:23:32 PDT)
- [AMBER-Developers] Fwd: Any similar problem in your mbar output files? Ray Luo (Tue Oct 20 2020 - 09:48:56 PDT)
- [AMBER-Developers] More on MBAR problems with pmemd.MPI David A Case (Thu Oct 22 2020 - 12:25:38 PDT)
- [AMBER-Developers] How is this a failure? Scott Le Grand (Tue Nov 03 2020 - 14:49:22 PST)
- [AMBER-Developers] Just ran make test.cuda.serial.SPFP on master TOT, TLDR 37 test failures Scott Le Grand (Tue Nov 03 2020 - 15:29:31 PST)
- [AMBER-Developers] PMEMD Neighbor List Code Considered Harmful Scott Le Grand (Tue Nov 10 2020 - 11:02:39 PST)
- [AMBER-Developers] Addendum Scott Le Grand (Tue Nov 10 2020 - 11:07:36 PST)
- [AMBER-Developers] Planning for the 2021 Amber Developers' Meeting David A Case (Thu Nov 12 2020 - 06:28:09 PST)
- [AMBER-Developers] CUDA Conformance Test not deterministic Scott Le Grand (Sat Nov 14 2020 - 14:28:00 PST)
- [AMBER-Developers] Initial steps toward the 2021 (Virtual) Amber Developers' Meeting David A Case (Wed Dec 02 2020 - 14:27:05 PST)
- [AMBER-Developers] cleanup of stale branches needed at gitlab.ambermd.org David A Case (Tue Dec 22 2020 - 06:56:35 PST)
- [AMBER-Developers] Interested in Stats for MD? B. Lachele Foley (Wed Jan 06 2021 - 00:46:42 PST)
- [AMBER-Developers] Fwd: [AMBER] Creating input files using tleap Christina Bergonzo (Wed Jan 20 2021 - 06:13:54 PST)
- [AMBER-Developers] Clarification on CMAP terms in Amber parm/top files Daniel Roe (Fri Jan 22 2021 - 07:18:26 PST)
- [AMBER-Developers] Bridges 2 Adrian Roitberg (Thu Feb 25 2021 - 06:12:56 PST)
- [AMBER-Developers] Broken links in manual Gustavo Seabra (Tue Mar 02 2021 - 17:07:50 PST)
- [AMBER-Developers] Relaxed, converged and equilibrated B. Lachele Foley (Tue Mar 02 2021 - 17:31:26 PST)
- Re: [AMBER-Developers] [EXTERNAL] Re: Relaxed, converged and equilibrated Neale, Christopher Andrew (Fri Mar 05 2021 - 18:05:15 PST)
- [AMBER-Developers] Discussion towards removing tip3p parameters from protein, RNA & DNA ff Kellon Belfon (Tue Mar 09 2021 - 08:32:59 PST)
- [AMBER-Developers] odd CMake error David A Case (Sun Mar 14 2021 - 09:31:27 PDT)
- [AMBER-Developers] New issue on gitlab about gfortran10 (and gcc10) David A Case (Mon Mar 15 2021 - 07:39:03 PDT)
- [AMBER-Developers] Are CI Pipelines Broken on Amber Gitlab? Daniel Roe (Mon Mar 15 2021 - 18:03:39 PDT)
- [AMBER-Developers] Too many TI atoms error Åke Sandgren (Tue Mar 16 2021 - 04:17:59 PDT)
- [AMBER-Developers] Getting documentation ready for AmberTools21 David A Case (Mon Mar 22 2021 - 12:43:02 PDT)
- [AMBER-Developers] Screen shots from the virtual amber-developers' meeting? David A Case (Mon Mar 22 2021 - 12:44:10 PDT)
- [AMBER-Developers] Could we get a short, annotated, bibliography of amber TI calculations? David A Case (Tue Mar 23 2021 - 06:34:10 PDT)
- [AMBER-Developers] A QM GUI interface in the cloud Jason Swails (Wed Mar 31 2021 - 12:37:54 PDT)
- [AMBER-Developers] Monte Carlo Barostat Citation in the Manual Daniel Roe (Thu Apr 01 2021 - 06:47:01 PDT)
- [AMBER-Developers] First release candidate for AmberTools21 David A Case (Fri Apr 02 2021 - 10:58:20 PDT)
- [AMBER-Developers] Do we still need to support CUDA versions 7.5 and 8? David A Case (Sat Apr 03 2021 - 07:00:57 PDT)
- [AMBER-Developers] CMake vs configure2 in Amber Scott Brozell (Sun Apr 04 2021 - 14:26:03 PDT)
- [AMBER-Developers] configure_cmake.py Gerald Monard (Thu Apr 08 2021 - 16:22:26 PDT)
- [AMBER-Developers] AmberTools21 release candidate 2 is ready for testing David A Case (Sun Apr 11 2021 - 18:27:07 PDT)
- [AMBER-Developers] AmberTools21 release candidate 3 is ready for testing David A Case (Sun Apr 18 2021 - 06:17:18 PDT)
- [AMBER-Developers] GPU timings Thomas Cheatham (Mon Apr 19 2021 - 10:19:30 PDT)
- [AMBER-Developers] Final AmberTools21 release candidate is available David A Case (Sun Apr 25 2021 - 06:08:08 PDT)
- [AMBER-Developers] question from main reflector Carlos Simmerling (Wed Apr 28 2021 - 13:08:10 PDT)
- [AMBER-Developers] what is new in AmberTools21? David A Case (Thu Apr 29 2021 - 08:05:11 PDT)
- [AMBER-Developers] Postdoc position opening at Loyola University Chicago pengfei li (Sat May 01 2021 - 11:10:00 PDT)
- [AMBER-Developers] Test Goetz, Andreas (Sun May 09 2021 - 19:11:30 PDT)
- [AMBER-Developers] Desmond SUX Scott Le Grand (Thu May 13 2021 - 12:26:48 PDT)
- [AMBER-Developers] can people try an AmberTools/Amber build using the current master branch? David A Case (Thu May 20 2021 - 08:01:38 PDT)
- [AMBER-Developers] mailing list archive Scott Brozell (Fri Jun 11 2021 - 13:14:33 PDT)
- [AMBER-Developers] pKa prediction Thomas Cheatham (Wed Jun 16 2021 - 14:37:36 PDT)
- [AMBER-Developers] cudaMalloc GpuBuffer::Allocate failed out of memory Stephan Schott (Fri Jun 25 2021 - 01:52:16 PDT)
- [AMBER-Developers] Short comment in Intel Compilers/Intel Python David A Case (Fri Jun 25 2021 - 11:32:09 PDT)
- [AMBER-Developers] Biggest cutoff plus skin combo? Scott Le Grand (Fri Jun 25 2021 - 12:25:33 PDT)
- [AMBER-Developers] Two fixes for mdout_analyzer.py Shiji Zhao (Wed Jun 30 2021 - 15:04:58 PDT)
- [AMBER-Developers] Two fixes for mdout_analyzer.py Shiji Zhao (Wed Jun 30 2021 - 15:21:46 PDT)
- [AMBER-Developers] Looking for those willing to test attempts to get pmemd running on AMD GPUs David A Case (Fri Jul 02 2021 - 08:45:15 PDT)
- [AMBER-Developers] A40 pmemd CUDA MPI Charles Lin (Fri Jul 09 2021 - 08:16:59 PDT)
- [AMBER-Developers] Constrain ligand in extracellular side in membrane-protein systems 王进安 (Fri Jul 09 2021 - 12:03:42 PDT)
- [AMBER-Developers] AMBERHOME with spaces Eric Pettersen (Tue Jul 13 2021 - 13:09:57 PDT)
- [AMBER-Developers] TIP5P with masses on the virtual sites? David Cerutti (Fri Jul 16 2021 - 01:19:44 PDT)
- [AMBER-Developers] looking for testers for some new GPU code David A Case (Tue Aug 10 2021 - 10:15:00 PDT)
- [AMBER-Developers] Amber citations on Google Scholar Shiji Zhao (Thu Aug 12 2021 - 19:10:38 PDT)
- [AMBER-Developers] Fw: AMBER 18 and A100? Ilyas Yildirim (Tue Aug 17 2021 - 11:48:45 PDT)
- [AMBER-Developers] mdout_analyzer.py Carlos Simmerling (Tue Aug 31 2021 - 07:02:06 PDT)
- [AMBER-Developers] Faculty position in Physical Chemistry at Loyola University Chicago pengfei li (Fri Sep 17 2021 - 14:08:32 PDT)
- [AMBER-Developers] Tests for AmberTools? Åke Sandgren (Mon Oct 18 2021 - 04:13:39 PDT)
- [AMBER-Developers] ACE atom name Kellon Belfon (Mon Nov 15 2021 - 17:01:54 PST)
- [AMBER-Developers] Synchronizing sander &debugf functionality with new(er) CHARMM force field terms David Cerutti (Tue Dec 21 2021 - 20:40:46 PST)
- [AMBER-Developers] GitLab is not responding Gerald Monard (Fri Jan 07 2022 - 21:09:49 PST)
- [AMBER-Developers] Pmemd no longer compiling with older GCC (4.8.5) Daniel Roe (Tue Jan 25 2022 - 11:55:40 PST)
- Re: [AMBER-Developers] multi gpu gromacs benchmarks Scott Le Grand (Wed Feb 02 2022 - 11:20:50 PST)
- [AMBER-Developers] Some comments about the upcoming 2022 release of Amber and AmberTools David A Case (Wed Feb 09 2022 - 06:49:50 PST)
- [AMBER-Developers] libz now seems required by Amber Daniel Roe (Sun Feb 20 2022 - 06:28:56 PST)
- [AMBER-Developers] Two minor issues with current Amber build Daniel Roe (Sun Feb 20 2022 - 10:38:35 PST)
- [AMBER-Developers] link pmemd.cuda to pmemd.cuda_SPFP and pmemd.cuda.MPI to pmemd.cuda_SPFP.MPI taisung.gmail.com (Wed Feb 23 2022 - 09:31:20 PST)
- [AMBER-Developers] Reminder: code deadline for Amber22 and AmberTools22 is only two weeks away! David A Case (Fri Feb 25 2022 - 04:58:35 PST)
- [AMBER-Developers] Annual artwork request for the cover of the 2022 Reference Manual David A Case (Wed Mar 02 2022 - 05:42:13 PST)
- [AMBER-Developers] TOT PMEMD cuda_serial unbuildable? Scott Le Grand (Mon Mar 07 2022 - 16:09:54 PST)
- [AMBER-Developers] more on Scott's problems with pmemd David A Case (Tue Mar 08 2022 - 06:02:22 PST)
- [AMBER-Developers] how best to handle LD_LIBRARY_PATH? David A Case (Wed Mar 09 2022 - 09:41:44 PST)
- [AMBER-Developers] compile error in Perlmutter Jinan Wang (Wed Mar 09 2022 - 09:59:36 PST)
- [AMBER-Developers] Release candidate 1 for Amber22/AmberTools22 David A Case (Tue Mar 15 2022 - 06:07:46 PDT)
- [AMBER-Developers] gpu_update_box Scott Le Grand (Thu Mar 17 2022 - 13:14:48 PDT)
- [AMBER-Developers] Problems with neck parameters on GPU Julie Harris (Tue Mar 22 2022 - 10:18:01 PDT)
- [AMBER-Developers] Release Candidate 2 for Amber22/AmberTools22 David A Case (Fri Mar 25 2022 - 12:26:35 PDT)
- [AMBER-Developers] [david.case.rutgers.edu: Annual artwork request for the cover of the 2022 Reference Manual] David A Case (Thu Mar 31 2022 - 13:41:57 PDT)
- [AMBER-Developers] Release Candidate 3 for Amber22/AmberTools22 David A Case (Sun Apr 03 2022 - 05:34:13 PDT)
- [AMBER-Developers] 3rd attempt to merge energy drift fix Scott Le Grand (Thu Apr 07 2022 - 16:57:23 PDT)
- [AMBER-Developers] Last chance for changes/corrections to the Amber2022 Reference Manual David A Case (Tue Apr 12 2022 - 08:40:09 PDT)
- [AMBER-Developers] I need input for "what's new in AmberTools22/Amber22" David A Case (Tue Apr 12 2022 - 13:48:03 PDT)
- [AMBER-Developers] Release candidate 4 for AmberTools22/Amber22 David A Case (Sun Apr 17 2022 - 04:47:27 PDT)
- [AMBER-Developers] Useful scaling efficiency for multi GPU PME? Scott Le Grand via AMBER-Developers (Sat Jun 18 2022 - 17:08:52 PDT)
- [AMBER-Developers] argument conventions problems in AmberTools/src/rism/amber_rism_interface.F90 Åke Sandgren via AMBER-Developers (Thu Jun 23 2022 - 00:56:49 PDT)
- [AMBER-Developers] Multiple definition of cifpin in cifparse Åke Sandgren via AMBER-Developers (Thu Jun 23 2022 - 02:02:08 PDT)
- [AMBER-Developers] Wrong number of arguments in mexit call in sander Åke Sandgren via AMBER-Developers (Thu Jun 23 2022 - 05:10:35 PDT)
- [AMBER-Developers] Bad argument use in DGESVD workspace query Åke Sandgren via AMBER-Developers (Thu Jun 23 2022 - 05:14:05 PDT)
- [AMBER-Developers] Fwd: Updating Amber on SeaWulf Carlos Simmerling via AMBER-Developers (Thu Jun 30 2022 - 11:05:56 PDT)
- [AMBER-Developers] Amber gitlab down? Daniel Roe via AMBER-Developers (Wed Jul 13 2022 - 14:53:46 PDT)
- [AMBER-Developers] MOPAC Gustavo Seabra via AMBER-Developers (Mon Jul 04 2022 - 17:00:02 PDT)
- [AMBER-Developers] Amber manual source Christian Schafmeister via AMBER-Developers (Thu Aug 04 2022 - 18:05:35 PDT)
- [AMBER-Developers] Bridges 2 Adrian Roitberg via AMBER-Developers (Wed Aug 03 2022 - 06:12:46 PDT)
- [AMBER-Developers] Memory leakage Yinglong Miao via AMBER-Developers (Mon Jul 25 2022 - 14:03:45 PDT)
- Re: [AMBER-Developers] Amber messages not going to the archive anymore Jason Swails via AMBER-Developers (Thu Jul 14 2022 - 15:34:28 PDT)
- Re: [AMBER-Developers] Shuttle calls Scott Le Grand via AMBER-Developers (Fri Aug 05 2022 - 11:34:46 PDT)
- [AMBER-Developers] problem with restarting restrained MD Carlos Simmerling via AMBER-Developers (Mon Aug 08 2022 - 05:29:48 PDT)
- [AMBER-Developers] mpi4py issues in AMBER22 Ilyas Yildirim via AMBER-Developers (Wed Aug 17 2022 - 13:24:03 PDT)
- [AMBER-Developers] Minor diff in test result for kmmd/kmmd_pmemd and kmmd/kmmd_pmemd_gb Åke Sandgren via AMBER-Developers (Thu Aug 25 2022 - 01:51:15 PDT)
- [AMBER-Developers] missing "|| goto error" in test/pmemdTI/softcore/tishake2vsite/Run.tishake2vsite Åke Sandgren via AMBER-Developers (Fri Aug 26 2022 - 00:29:35 PDT)
- [AMBER-Developers] Some more tests with hopefully small enough errors to get changed test criteria Åke Sandgren via AMBER-Developers (Fri Aug 26 2022 - 05:56:30 PDT)
- [AMBER-Developers] compiling AMBER on a new system Thomas Cheatham via AMBER-Developers (Mon Sep 12 2022 - 15:41:09 PDT)
- [AMBER-Developers] minimzation with SHAKE/SETTLE active David A Case via AMBER-Developers (Mon Sep 19 2022 - 14:32:56 PDT)
- [AMBER-Developers] Fwd: MCPB.py Failing with OPC water? Gustavo Seabra via AMBER-Developers (Mon Oct 17 2022 - 09:11:21 PDT)
- [AMBER-Developers] energy decomposition in sander; changed for TI? Carlos Simmerling via AMBER-Developers (Wed Nov 30 2022 - 14:20:30 PST)
- [AMBER-Developers] Holiday message for Amber developers David A Case via AMBER-Developers (Tue Dec 27 2022 - 06:11:59 PST)
- [AMBER-Developers] Installation ideas from Romain Wolf David A Case via AMBER-Developers (Mon Jan 02 2023 - 06:20:14 PST)
- [AMBER-Developers] xleap Brent Krueger via AMBER-Developers (Wed Jan 25 2023 - 10:12:30 PST)
- [AMBER-Developers] Code deadline for AmberTools23 is March 10 David A Case via AMBER-Developers (Wed Feb 08 2023 - 06:00:56 PST)
- [AMBER-Developers] Wiki page for ideas and suggestions for AmberTools23 David A Case via AMBER-Developers (Wed Feb 08 2023 - 06:20:58 PST)
- [AMBER-Developers] Is anyone seeing bad behavior in trying to download Miniconda? David A Case via AMBER-Developers (Sun Feb 19 2023 - 06:29:44 PST)
- [AMBER-Developers] MiniConda installation woes solved (I think) David A Case via AMBER-Developers (Tue Feb 21 2023 - 06:16:45 PST)
- [AMBER-Developers] Missing test files Jason Swails via AMBER-Developers (Tue Mar 21 2023 - 12:23:23 PDT)
- [AMBER-Developers] Fwd: Fw: memory leak in AMBER22 Daniel Roe via AMBER-Developers (Thu Mar 23 2023 - 13:10:00 PDT)
- [AMBER-Developers] Fortran file units of mdin/mdout Taisung Lee via AMBER-Developers (Mon Mar 27 2023 - 05:07:21 PDT)
- [AMBER-Developers] Amber website Maria Nagan via AMBER-Developers (Tue Mar 28 2023 - 09:27:25 PDT)
- [AMBER-Developers] AmberTools23 release candidate 3 is now available David A Case via AMBER-Developers (Sun Apr 02 2023 - 12:16:27 PDT)
- [AMBER-Developers] AmberTools23 release candidate 4 is now available David A Case via AMBER-Developers (Wed Apr 12 2023 - 17:56:56 PDT)
- [AMBER-Developers] AmberTools23 Release Candidate 6 is ready for testing David A Case via AMBER-Developers (Sat Apr 22 2023 - 05:52:07 PDT)
- [AMBER-Developers] Release of AmberTools23 David A Case via AMBER-Developers (Sun Apr 30 2023 - 05:00:23 PDT)
- [AMBER-Developers] an update for gb8 was Re: AMBER Possible Failure with Amber22 serial and cuda installation Scott Brozell via AMBER-Developers (Fri May 26 2023 - 11:01:22 PDT)
- [AMBER-Developers] test on L40 GPU card Jinan Wang via AMBER-Developers (Fri Aug 11 2023 - 11:10:27 PDT)
- [AMBER-Developers] test #2 Jason Swails via AMBER-Developers (Thu Nov 30 2023 - 08:54:29 PST)
- [AMBER-Developers] Test email Jason Swails via AMBER-Developers (Thu Nov 30 2023 - 07:39:40 PST)
- [AMBER-Developers] fix changed wiki ? Scott Brozell via AMBER-Developers (Thu Dec 07 2023 - 12:55:48 PST)
- [AMBER-Developers] Amber20 SYCL version for Intel GPU Max Series limited feature release Goetz, Andreas via AMBER-Developers (Tue Dec 19 2023 - 13:55:14 PST)
- [AMBER-Developers] Nvidia GH200 tests Stephan Schott via AMBER-Developers (Fri Feb 02 2024 - 08:52:59 PST)
- [AMBER-Developers] Code submission deadlines for Amber24 and AmberTools24 David A Case via AMBER-Developers (Thu Feb 15 2024 - 10:18:32 PST)
- [AMBER-Developers] Info and deadlines for the upcoming Amber24 and AmberTools24 releases David A Case via AMBER-Developers (Wed Mar 13 2024 - 13:59:49 PDT)
- [AMBER-Developers] Access to an ARM system Daniel Roe via AMBER-Developers (Sun Mar 24 2024 - 09:20:45 PDT)
- [AMBER-Developers] Amber24 release candidate 1 is now available David A Case via AMBER-Developers (Tue Mar 26 2024 - 15:28:54 PDT)
- [AMBER-Developers] Issues with Amber test framework Daniel Roe via AMBER-Developers (Wed Mar 27 2024 - 09:27:19 PDT)
- [AMBER-Developers] parmed versions issue, OPC 12_6_4 support Carlos Simmerling via AMBER-Developers (Thu Mar 28 2024 - 10:44:20 PDT)
- [AMBER-Developers] Amber22/Gaussian16 interface silently dumps core but continues with no error Gustavo Seabra via AMBER-Developers (Wed May 01 2024 - 08:16:40 PDT)
- [AMBER-Developers] Missing check_patches.py in amber24-with-patches Daniel Roe via AMBER-Developers (Thu May 30 2024 - 06:22:04 PDT)
- Re: [AMBER-Developers] Open Cancer Prevention and Control Postdoc Positions, University of Arizona Shiji Zhao via AMBER-Developers (Fri Aug 16 2024 - 23:45:18 PDT)
- [AMBER-Developers] Amber on Grace-Hopper Adrian Roitberg via AMBER-Developers (Thu Aug 22 2024 - 10:08:16 PDT)
- Last message date: Fri Aug 23 2024 - 08:00:02 PDT
- Archived on: Wed Oct 16 2024 - 05:02:25 PDT
