Amber Developers Archive Mar 2006 By Thread
- amber-developers: lingering elif's Scott Brozell (Fri Mar 31 2006 - 13:05:14 PST)
- Re: amber-developers: lingering elif's David A. Case (Fri Mar 31 2006 - 13:27:41 PST)
- Re: amber-developers: lingering elif's Scott Brozell (Fri Mar 31 2006 - 14:11:11 PST)
- Re: amber-developers: lingering elif's David A. Case (Fri Mar 31 2006 - 13:27:41 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? Ilyas Yildirim (Thu Mar 30 2006 - 00:21:55 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 - 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)
- 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? Michael Crowley (Wed Mar 29 2006 - 23:22:10 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)
- Re: amber-developers: G95 64 bit problems. David A. Case (Tue Mar 28 2006 - 15:23:12 PST)
- RE: amber-developers: G95 64 bit problems. Ross Walker (Tue Mar 28 2006 - 17:01:13 PST)
- Re: amber-developers: G95 64 bit problems. David A. Case (Tue Mar 28 2006 - 15:23:12 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)
- Re: amber-developers: Problems with g95 running in x86_64 mode... David A. Case (Mon Mar 27 2006 - 21:47:02 PST)
- Re: amber-developers: Problems with g95 running in x86_64 mode... David A. Case (Mon Mar 27 2006 - 22:38:39 PST)
- Re: amber-developers: Problems with g95 running in x86_64 mode... David A. Case (Mon Mar 27 2006 - 21:47:02 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: qmmm2/neb_gb;compile problem with evb_input.f (ifort on linux) David Mathews (Mon Mar 27 2006 - 15:37:40 PST)
- Re: amber-developers: qmmm2/neb_gb;compile problem with evb_input.f (ifort on linux) Robert Duke (Mon Mar 27 2006 - 16:18:02 PST)
- Re: amber-developers: qmmm2/neb_gb;compile problem with evb_input.f (ifort on linux) David A. Case (Mon Mar 27 2006 - 16:32:21 PST)
- Re: amber-developers: qmmm2/neb_gb;compile problem with evb_input.f (ifort on linux) Robert Duke (Mon Mar 27 2006 - 21:42:54 PST)
- Re: amber-developers: qmmm2/neb_gb;compile problem with evb_input.f (ifort on linux) David A. Case (Mon Mar 27 2006 - 22:06:41 PST)
- Re: amber-developers: qmmm2/neb_gb;compile problem with evb_input.f (ifort on linux) Robert Duke (Tue Mar 28 2006 - 05:05:28 PST)
- amber-developers: Re: compile problem with evb_input.f (ifort on linux) David Mathews (Mon Mar 27 2006 - 19:43:48 PST)
- RE: amber-developers: Re: compile problem with evb_input.f (ifort on linux) Ross Walker (Mon Mar 27 2006 - 20:14:22 PST)
- RE: amber-developers: Re: compile problem with evb_input.f (ifort on linux) David Mathews (Tue Mar 28 2006 - 06:57:10 PST)
- Re: amber-developers: Re: compile problem with evb_input.f (ifort on linux) David A. Case (Tue Mar 28 2006 - 09:24:57 PST)
- amber-developers: problem with evb_input.f David A. Case (Mon Mar 27 2006 - 16:11:32 PST)
- Re: amber-developers: qmmm2/neb_gb;compile problem with evb_input.f (ifort on linux) Robert Duke (Mon Mar 27 2006 - 16:18:02 PST)
- RE: amber-developers: qmmm2/neb_gb ; ./Run.neb_link_atoms_qmgb2 crash on Sun Ross Walker (Mon Mar 27 2006 - 14:38:19 PST)
- Re: amber-developers: qmmm2/neb_gb ; ./Run.neb_link_atoms_qmgb2 crash on Sun David A. Case (Mon Mar 27 2006 - 15:29:19 PST)
- amber-developers: qmmm2/neb_gb;compile problem with evb_input.f (ifort on linux) David Mathews (Mon Mar 27 2006 - 15:37:40 PST)
- amber-developers: GB/LES GB1 diffcoords FP exception on Sun John Mongan (Mon Mar 27 2006 - 13:24:39 PST)
- Re: amber-developers: GB/LES GB1 diffcoords FP exception on Sun David A. Case (Mon Mar 27 2006 - 15:41:05 PST)
- Re: amber-developers: GB/LES GB1 diffcoords FP exception on Sun carlos (Mon Mar 27 2006 - 16:32:11 PST)
- Re: amber-developers: GB/LES GB1 diffcoords FP exception on Sun David A. Case (Mon Mar 27 2006 - 16:42:16 PST)
- Re: amber-developers: GB/LES GB1 diffcoords FP exception on Sun Robert Duke (Mon Mar 27 2006 - 21:00:04 PST)
- Re: amber-developers: GB/LES GB1 diffcoords FP exception on Sun carlos (Mon Mar 27 2006 - 17:34:27 PST)
- Re: amber-developers: GB/LES GB1 diffcoords FP exception on Sun carlos (Mon Mar 27 2006 - 16:32:11 PST)
- Re: amber-developers: GB/LES GB1 diffcoords FP exception on Sun Carlos Simmerling (Mon Mar 27 2006 - 14:09:07 PST)
- Re: amber-developers: GB/LES GB1 diffcoords FP exception on Sun David A. Case (Mon Mar 27 2006 - 15:41:05 PST)
- amber-developers: fourth snapshot for Amber 9 is now available David A. Case (Thu Mar 23 2006 - 18:39:25 PST)
- amber-developers: More sun configure problems John Mongan (Fri Mar 24 2006 - 11:16:03 PST)
- Re: amber-developers: More sun configure problems David A. Case (Fri Mar 24 2006 - 14:14:47 PST)
- Re: amber-developers: More sun configure problems Scott Brozell (Sun Mar 26 2006 - 16:40:58 PST)
- amber-developers: More sun issues Scott Brozell (Sun Mar 26 2006 - 17:13:55 PST)
- amber-developers: Re: More sun issues Scott Brozell (Mon Mar 27 2006 - 00:26:06 PST)
- amber-developers: amber9-pathscale issue Andreas Svrcek-Seiler (Tue Mar 28 2006 - 02:16:36 PST)
- Re: amber-developers: amber9-pathscale issue David A. Case (Tue Mar 28 2006 - 09:17:57 PST)
- Re: amber-developers: Re: More sun issues Scott Brozell (Mon Mar 27 2006 - 15:10:12 PST)
- Re: amber-developers: Re: More sun issues David A. Case (Mon Mar 27 2006 - 15:27:18 PST)
- Re: amber-developers: Re: More sun issues David A. Case (Mon Mar 27 2006 - 09:01:07 PST)
- Re: amber-developers: Re: More sun issues John Mongan (Mon Mar 27 2006 - 10:56:29 PST)
- Re: amber-developers: Re: More sun issues Scott Brozell (Mon Mar 27 2006 - 10:32:37 PST)
- Re: amber-developers: Re: More sun issues David A. Case (Mon Mar 27 2006 - 10:50:15 PST)
- Re: amber-developers: Re: More sun issues Scott Brozell (Mon Mar 27 2006 - 11:58:01 PST)
- Re: amber-developers: More sun configure problems David A. Case (Fri Mar 24 2006 - 14:14:47 PST)
- Re: amber-developers: fourth snapshot for Amber 9 is now available John Mongan (Fri Mar 24 2006 - 11:07:27 PST)
- Re: amber-developers: fourth snapshot for Amber 9 is now available David A. Case (Fri Mar 24 2006 - 14:12:07 PST)
- amber-developers: More sun configure problems John Mongan (Fri Mar 24 2006 - 11:16:03 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)
- RE: amber-developers: Proposal: a firefox extension for amber8 html-based user manual Ross Walker (Sun Mar 19 2006 - 17:13:15 PST)
- Re: amber-developers: Proposal: a firefox extension for amber8 html-based user manual Xuebin Qiao (Mon Mar 20 2006 - 04:11:03 PST)
- RE: amber-developers: Proposal: a firefox extension for amber8 html-based user manual Ross Walker (Sun Mar 19 2006 - 17:13:15 PST)
- amber-developers: Problem with SHAKE when icfe != 0 Ilyas Yildirim (Thu Mar 16 2006 - 20:50:26 PST)
- Re: amber-developers: Problem with SHAKE when icfe != 0 David A. Case (Fri Mar 17 2006 - 11:21:57 PST)
- Re: amber-developers: Problem with SHAKE when icfe != 0 Ilyas Yildirim (Fri Mar 17 2006 - 23:26:02 PST)
- Re: amber-developers: Problem with SHAKE when icfe != 0 David A. Case (Sat Mar 18 2006 - 09:26:04 PST)
- Re: amber-developers: Problem with SHAKE when icfe != 0 Ilyas Yildirim (Sun Mar 19 2006 - 20:06:11 PST)
- Re: amber-developers: Problem with SHAKE when icfe != 0 David A. Case (Sun Mar 19 2006 - 22:40:33 PST)
- Re: amber-developers: Problem with SHAKE when icfe != 0 Ilyas Yildirim (Sun Mar 19 2006 - 23:46:25 PST)
- Re: amber-developers: Problem with SHAKE when icfe != 0 Ilyas Yildirim (Fri Mar 17 2006 - 23:26:02 PST)
- Re: amber-developers: Problem with SHAKE when icfe != 0 David A. Case (Fri Mar 17 2006 - 11:21:57 PST)
- amber-developers: test case failures David A. Case (Thu Mar 16 2006 - 17:18:51 PST)
- Re: amber-developers: test case failures Robert Duke (Thu Mar 16 2006 - 17:53:31 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)
- Re: amber-developers: Problem in ptraj when using mmpbsa Carlos Simmerling (Tue Mar 14 2006 - 15:29:17 PST)
- Re: amber-developers: Problem in ptraj when using mmpbsa Thomas E. Cheatham, III (Tue Mar 14 2006 - 15:05:32 PST)
- Re: amber-developers: Problem in ptraj when using mmpbsa Ray Luo (Sun Mar 12 2006 - 21:04:54 PST)
- amber-developers: No DV/DL values at clambda=1 for vdW pert B. Lachele Foley (Fri Mar 10 2006 - 06:49:19 PST)
- Re: amber-developers: No DV/DL values at clambda=1 for vdW pert B. Lachele Foley (Fri Mar 10 2006 - 10:12:37 PST)
- Re: amber-developers: No DV/DL values at clambda=1 for vdW pert B. Lachele Foley (Fri Mar 10 2006 - 07:47:42 PST)
- Re: amber-developers: No DV/DL values at clambda=1 for vdW pert Ilyas Yildirim (Fri Mar 10 2006 - 09:16:21 PST)
- Re: amber-developers: No DV/DL values at clambda=1 for vdW pert David A. Case (Fri Mar 10 2006 - 07:45:06 PST)
- Re: amber-developers: No DV/DL values at clambda=1 for vdW pert Ilyas Yildirim (Fri Mar 10 2006 - 07:07:33 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)
- Re: amber-developers: pbsa undocumented maxarc (fwd) Ray Luo (Wed Mar 08 2006 - 20:55:30 PST)
- Re: amber-developers: pbsa undocumented maxarc (fwd) Scott Brozell (Thu Mar 09 2006 - 11:42:10 PST)
- Re: amber-developers: pbsa undocumented maxarc (fwd) Ray Luo (Wed Mar 08 2006 - 20:55:30 PST)
- amber-developers: [sbrozell@scripps.edu: pbsa: nsaa bug] David A. Case (Thu Mar 09 2006 - 10:39:20 PST)
- amber-developers: Undocumented namelist variables David A. Case (Thu Mar 09 2006 - 12:20:16 PST)
- Re: amber-developers: Undocumented namelist variables Robert Duke (Thu Mar 09 2006 - 12:29:50 PST)
- Re: amber-developers: Undocumented namelist variables -> tracing Scott Brozell (Thu Mar 09 2006 - 13:26:18 PST)
- Re: amber-developers: Undocumented namelist variables -> tracing David A. Case (Thu Mar 09 2006 - 16:10:09 PST)
- Re: amber-developers: Undocumented namelist variables David A. Case (Thu Mar 09 2006 - 12:41:37 PST)
- Re: amber-developers: Undocumented namelist variables Ray Luo (Wed Mar 08 2006 - 23:27:07 PST)
- Re: amber-developers: Undocumented namelist variables Robert Duke (Thu Mar 09 2006 - 12:29:50 PST)
- amber-developers: bench.jac fails in for amber9 Andreas Svrcek-Seiler (Thu Mar 09 2006 - 11:08:50 PST)
- Re: amber-developers: bench.jac fails in for amber9 David A. Case (Thu Mar 09 2006 - 12:05:11 PST)
- Re: amber-developers: bench.jac fails in for amber9 Robert Duke (Thu Mar 09 2006 - 11:18:06 PST)
- Re: amber-developers: bench.jac fails in for amber9 Scott Brozell (Thu Mar 09 2006 - 11:38:36 PST)
- amber-developers: Undocumented namelist variables David A. Case (Thu Mar 09 2006 - 12:20:16 PST)
- amber-developers: cap, igb=10 (or not) and charge perturbation B. Lachele Foley (Mon Mar 06 2006 - 08:56:06 PST)
- Re: amber-developers: cap, igb=10 (or not) and charge perturbation B. Lachele Foley (Mon Mar 06 2006 - 18:08:24 PST)
- Re: amber-developers: cap, igb=10 (or not) and charge perturbation B. Lachele Foley (Mon Mar 06 2006 - 12:21:12 PST)
- Re: amber-developers: cap, igb=10 (or not) and charge perturbation David A. Case (Mon Mar 06 2006 - 13:20:52 PST)
- Re: amber-developers: cap, igb=10 (or not) and charge perturbation David A. Case (Mon Mar 06 2006 - 10:24:11 PST)
- Re: amber-developers: cap, igb=10 (or not) and charge perturbation Ray Luo (Sat Mar 04 2006 - 17:13:10 PST)
- amber-developers: Typo: INSTALL Mengjuei Hsieh (Fri Mar 03 2006 - 17:43:10 PST)
- Re: amber-developers: Typo: INSTALL David A. Case (Sat Mar 04 2006 - 09:22:20 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)
- Re: amber-developers: problems with parallel installation of Amber 9 Scott Brozell (Thu Mar 02 2006 - 10:52:54 PST)
- Re: amber-developers: problems with parallel installation of Amber 9 Robert Duke (Thu Mar 02 2006 - 10:46:42 PST)
- Re: amber-developers: problems with parallel installation of Amber 9 Ruzhu Chen (Thu Mar 02 2006 - 10:18:43 PST)
- Last message date: Wed Apr 05 2006 - 23:49:42 PDT
- Archived on: Mon Jan 05 2009 - 05:03:00 PST
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