Amber Developers Archive Mar 2006: by author

Andreas Svrcek-Seiler
- amber-developers: bench.jac fails in for amber9 (Thu Mar 09 2006 - 11:08:50 PST)
- amber-developers: amber9-pathscale issue (Tue Mar 28 2006 - 02:16:36 PST)
B. Lachele Foley
- amber-developers: Fwd: problems with parallel installation of Amber 9 (Thu Mar 02 2006 - 10:10:41 PST)
- amber-developers: cap, igb=10 (or not) and charge perturbation (Mon Mar 06 2006 - 08:56:06 PST)
- Re: amber-developers: cap, igb=10 (or not) and charge perturbation (Mon Mar 06 2006 - 12:21:12 PST)
- Re: amber-developers: cap, igb=10 (or not) and charge perturbation (Mon Mar 06 2006 - 18:08:24 PST)
- amber-developers: No DV/DL values at clambda=1 for vdW pert (Fri Mar 10 2006 - 06:49:19 PST)
- Re: amber-developers: No DV/DL values at clambda=1 for vdW pert (Fri Mar 10 2006 - 07:47:42 PST)
- Re: amber-developers: No DV/DL values at clambda=1 for vdW pert (Fri Mar 10 2006 - 10:12:37 PST)
carlos
- Re: amber-developers: GB/LES GB1 diffcoords FP exception on Sun (Mon Mar 27 2006 - 16:32:11 PST)
- Re: amber-developers: GB/LES GB1 diffcoords FP exception on Sun (Mon Mar 27 2006 - 17:34:27 PST)
Carlos Simmerling
- Re: amber-developers: Problem in ptraj when using mmpbsa (Tue Mar 14 2006 - 15:29:17 PST)
- amber-developers: amber9 REMD bug (Wed Mar 15 2006 - 14:13:35 PST)
- Re: amber-developers: GB/LES GB1 diffcoords FP exception on Sun (Mon Mar 27 2006 - 14:09:07 PST)
David A. Case
- amber-developers: problems with parallel installation of Amber 9 (Thu Mar 02 2006 - 09:51:13 PST)
- Re: amber-developers: Work is needed on the Users' Manual! (Thu Mar 02 2006 - 17:28:30 PST)
- amber-developers: "near-final" version of the Users' Manual (Fri Mar 03 2006 - 14:08:12 PST)
- Re: amber-developers: Typo: INSTALL (Sat Mar 04 2006 - 09:22:20 PST)
- Re: amber-developers: cap, igb=10 (or not) and charge perturbation (Mon Mar 06 2006 - 10:24:11 PST)
- Re: amber-developers: cap, igb=10 (or not) and charge perturbation (Mon Mar 06 2006 - 13:20:52 PST)
- amber-developers: [sbrozell.scripps.edu: pbsa: nsaa bug] (Thu Mar 09 2006 - 10:39:20 PST)
- Re: amber-developers: bench.jac fails in for amber9 (Thu Mar 09 2006 - 12:05:11 PST)
- amber-developers: [sbrozell.scripps.edu: pbsa undocumented maxarc] (Thu Mar 09 2006 - 12:06:11 PST)
- amber-developers: Undocumented namelist variables (Thu Mar 09 2006 - 12:20:16 PST)
- Re: amber-developers: Undocumented namelist variables (Thu Mar 09 2006 - 12:41:37 PST)
- Re: amber-developers: Undocumented namelist variables -> tracing (Thu Mar 09 2006 - 16:10:09 PST)
- Re: amber-developers: No DV/DL values at clambda=1 for vdW pert (Fri Mar 10 2006 - 07:45:06 PST)
- amber-developers: test case failures (Thu Mar 16 2006 - 17:18:51 PST)
- Re: amber-developers: Problem with SHAKE when icfe != 0 (Fri Mar 17 2006 - 11:21:57 PST)
- Re: amber-developers: Problem with SHAKE when icfe != 0 (Sat Mar 18 2006 - 09:26:04 PST)
- Re: amber-developers: Problem with SHAKE when icfe != 0 (Sun Mar 19 2006 - 22:40:33 PST)
- amber-developers: final amber 9 snapshot delayed (Tue Mar 21 2006 - 21:11:59 PST)
- amber-developers: fourth snapshot for Amber 9 is now available (Thu Mar 23 2006 - 18:39:25 PST)
- Re: amber-developers: fourth snapshot for Amber 9 is now available (Fri Mar 24 2006 - 14:12:07 PST)
- Re: amber-developers: More sun configure problems (Fri Mar 24 2006 - 14:14:47 PST)
- Re: amber-developers: Re: More sun issues (Mon Mar 27 2006 - 09:01:07 PST)
- Re: amber-developers: Re: More sun issues (Mon Mar 27 2006 - 10:50:15 PST)
- Re: amber-developers: Re: More sun issues (Mon Mar 27 2006 - 15:27:18 PST)
- Re: amber-developers: qmmm2/neb_gb ; ./Run.neb_link_atoms_qmgb2 crash on Sun (Mon Mar 27 2006 - 15:29:19 PST)
- Re: amber-developers: GB/LES GB1 diffcoords FP exception on Sun (Mon Mar 27 2006 - 15:41:05 PST)
- amber-developers: problem with evb_input.f (Mon Mar 27 2006 - 16:11:32 PST)
- Re: amber-developers: qmmm2/neb_gb;compile problem with evb_input.f (ifort on linux) (Mon Mar 27 2006 - 16:32:21 PST)
- Re: amber-developers: GB/LES GB1 diffcoords FP exception on Sun (Mon Mar 27 2006 - 16:42:16 PST)
- Re: amber-developers: Problems with g95 running in x86_64 mode... (Mon Mar 27 2006 - 21:47:02 PST)
- Re: amber-developers: qmmm2/neb_gb;compile problem with evb_input.f (ifort on linux) (Mon Mar 27 2006 - 22:06:41 PST)
- Re: amber-developers: Problems with g95 running in x86_64 mode... (Mon Mar 27 2006 - 22:38:39 PST)
- Re: amber-developers: amber9-pathscale issue (Tue Mar 28 2006 - 09:17:57 PST)
- Re: amber-developers: Re: compile problem with evb_input.f (ifort on linux) (Tue Mar 28 2006 - 09:24:57 PST)
- Re: amber-developers: G95 64 bit problems. (Tue Mar 28 2006 - 15:23:12 PST)
- amber-developers: yet another snapshot (Tue Mar 28 2006 - 16:15:13 PST)
- Re: amber-developers: ti_ggcc tests.. vlimit errors? (Wed Mar 29 2006 - 16:21:31 PST)
- Re: amber-developers: ti_ggcc tests.. vlimit errors? (Thu Mar 30 2006 - 10:00:50 PST)
- amber-developers: pathscale, gfortran and pgf90 problems (Fri Mar 31 2006 - 08:14:43 PST)
- Re: amber-developers: lingering elif's (Fri Mar 31 2006 - 13:27:41 PST)
- Re: amber-developers: pathscale, gfortran and pgf90 problems (Fri Mar 31 2006 - 14:14:19 PST)
- Re: amber-developers: pathscale, gfortran and pgf90 problems (Fri Mar 31 2006 - 15:24:10 PST)
- Re: amber-developers: pathscale, gfortran and pgf90 problems (Fri Mar 31 2006 - 16:28:53 PST)
- amber-developers: pgf90 and netcdf (Fri Mar 31 2006 - 16:46:53 PST)
- Re: amber-developers: pathscale, gfortran and pgf90 problems (Fri Mar 31 2006 - 17:33:38 PST)
- Re: amber-developers: pgf90 and netcdf (Fri Mar 31 2006 - 22:16:02 PST)
David Case
- amber-developers: rem/hybrid test case (Tue Mar 28 2006 - 11:02:59 PST)
David Mathews
- amber-developers: qmmm2/neb_gb;compile problem with evb_input.f (ifort on linux) (Mon Mar 27 2006 - 15:37:40 PST)
- amber-developers: Re: compile problem with evb_input.f (ifort on linux) (Mon Mar 27 2006 - 19:43:48 PST)
- RE: amber-developers: Re: compile problem with evb_input.f (ifort on linux) (Tue Mar 28 2006 - 06:57:10 PST)
Ilyas Yildirim
- Re: amber-developers: No DV/DL values at clambda=1 for vdW pert (Fri Mar 10 2006 - 07:07:33 PST)
- Re: amber-developers: No DV/DL values at clambda=1 for vdW pert (Fri Mar 10 2006 - 09:16:21 PST)
- amber-developers: Problem with SHAKE when icfe != 0 (Thu Mar 16 2006 - 20:50:26 PST)
- Re: amber-developers: Problem with SHAKE when icfe != 0 (Fri Mar 17 2006 - 23:26:02 PST)
- Re: amber-developers: Problem with SHAKE when icfe != 0 (Sun Mar 19 2006 - 20:06:11 PST)
- Re: amber-developers: Problem with SHAKE when icfe != 0 (Sun Mar 19 2006 - 23:46:25 PST)
- Re: amber-developers: ti_ggcc tests.. vlimit errors? (Thu Mar 30 2006 - 00:21:55 PST)
John Mongan
- Re: amber-developers: fourth snapshot for Amber 9 is now available (Fri Mar 24 2006 - 11:07:27 PST)
- amber-developers: More sun configure problems (Fri Mar 24 2006 - 11:16:03 PST)
- Re: amber-developers: Re: More sun issues (Mon Mar 27 2006 - 10:56:29 PST)
- amber-developers: GB/LES GB1 diffcoords FP exception on Sun (Mon Mar 27 2006 - 13:24:39 PST)
- amber-developers: qmmm2/neb_gb ; ./Run.neb_link_atoms_qmgb2 crash on Sun (Mon Mar 27 2006 - 13:34:29 PST)
- Re: amber-developers: pathscale, gfortran and pgf90 problems (Fri Mar 31 2006 - 15:51:44 PST)
Mark Williamson
- amber-developers: Improving TEST_FAILURES.DAT naming in AMBER9; rename to TEST_FAILURES.diff (Mon Mar 27 2006 - 17:11:06 PST)
Mengjuei Hsieh
- amber-developers: Typo: INSTALL (Fri Mar 03 2006 - 17:43:10 PST)
Michael Crowley
- Re: amber-developers: ti_ggcc tests.. vlimit errors? (Wed Mar 29 2006 - 23:22:10 PST)
Ray Luo
- Re: amber-developers: Work is needed on the Users' Manual! (Thu Mar 02 2006 - 02:00:01 PST)
- Re: amber-developers: cap, igb=10 (or not) and charge perturbation (Sat Mar 04 2006 - 17:13:10 PST)
- Re: amber-developers: pbsa undocumented maxarc (fwd) (Wed Mar 08 2006 - 20:55:30 PST)
- Re: amber-developers: Undocumented namelist variables (Wed Mar 08 2006 - 23:27:07 PST)
- amber-developers: Problem in ptraj when using mmpbsa (Sun Mar 12 2006 - 19:57:52 PST)
- Re: amber-developers: Problem in ptraj when using mmpbsa (Sun Mar 12 2006 - 21:04:54 PST)
Robert Duke
- Re: amber-developers: problems with parallel installation of Amber 9 (Thu Mar 02 2006 - 10:46:42 PST)
- Re: amber-developers: bench.jac fails in for amber9 (Thu Mar 09 2006 - 11:18:06 PST)
- Re: amber-developers: Undocumented namelist variables (Thu Mar 09 2006 - 12:29:50 PST)
- Re: amber-developers: test case failures (Thu Mar 16 2006 - 17:53:31 PST)
- Re: amber-developers: qmmm2/neb_gb;compile problem with evb_input.f (ifort on linux) (Mon Mar 27 2006 - 16:18:02 PST)
- Re: amber-developers: GB/LES GB1 diffcoords FP exception on Sun (Mon Mar 27 2006 - 21:00:04 PST)
- Re: amber-developers: qmmm2/neb_gb;compile problem with evb_input.f (ifort on linux) (Mon Mar 27 2006 - 21:42:54 PST)
- Re: amber-developers: qmmm2/neb_gb;compile problem with evb_input.f (ifort on linux) (Tue Mar 28 2006 - 05:05:28 PST)
- Re: amber-developers: pathscale, gfortran and pgf90 problems (Fri Mar 31 2006 - 09:39:40 PST)
- Re: amber-developers: pathscale, gfortran and pgf90 problems (Fri Mar 31 2006 - 15:35:50 PST)
- Re: amber-developers: pathscale, gfortran and pgf90 problems (Fri Mar 31 2006 - 16:00:03 PST)
Ross Walker
- RE: amber-developers: Proposal: a firefox extension for amber8 html-based user manual (Sun Mar 19 2006 - 17:13:15 PST)
- RE: amber-developers: qmmm2/neb_gb ; ./Run.neb_link_atoms_qmgb2 crash on Sun (Mon Mar 27 2006 - 14:38:19 PST)
- amber-developers: Problems with g95 running in x86_64 mode... (Mon Mar 27 2006 - 19:10:35 PST)
- RE: amber-developers: Re: compile problem with evb_input.f (ifort on linux) (Mon Mar 27 2006 - 20:14:22 PST)
- amber-developers: FW: test failures for QM/mm for SGI (Tue Mar 28 2006 - 12:59:14 PST)
- amber-developers: G95 64 bit problems. (Tue Mar 28 2006 - 14:47:17 PST)
- RE: amber-developers: G95 64 bit problems. (Tue Mar 28 2006 - 17:01:13 PST)
- amber-developers: ti_ggcc tests.. vlimit errors? (Wed Mar 29 2006 - 15:12:58 PST)
Ruzhu Chen
- Re: amber-developers: problems with parallel installation of Amber 9 (Thu Mar 02 2006 - 10:18:43 PST)
Scott Brozell
- Re: amber-developers: problems with parallel installation of Amber 9 (Thu Mar 02 2006 - 10:52:54 PST)
- amber-developers: pbsa undocumented maxarc (fwd) (Thu Mar 09 2006 - 10:41:35 PST)
- Re: amber-developers: bench.jac fails in for amber9 (Thu Mar 09 2006 - 11:38:36 PST)
- Re: amber-developers: pbsa undocumented maxarc (fwd) (Thu Mar 09 2006 - 11:42:10 PST)
- Re: amber-developers: Undocumented namelist variables -> tracing (Thu Mar 09 2006 - 13:26:18 PST)
- Re: amber-developers: More sun configure problems (Sun Mar 26 2006 - 16:40:58 PST)
- amber-developers: More sun issues (Sun Mar 26 2006 - 17:13:55 PST)
- amber-developers: Re: More sun issues (Mon Mar 27 2006 - 00:26:06 PST)
- Re: amber-developers: Re: More sun issues (Mon Mar 27 2006 - 10:32:37 PST)
- Re: amber-developers: Re: More sun issues (Mon Mar 27 2006 - 11:58:01 PST)
- Re: amber-developers: Re: More sun issues (Mon Mar 27 2006 - 15:10:12 PST)
- amber-developers: lingering elif's (Fri Mar 31 2006 - 13:05:14 PST)
- Re: amber-developers: pathscale, gfortran and pgf90 problems (Fri Mar 31 2006 - 14:06:52 PST)
- Re: amber-developers: lingering elif's (Fri Mar 31 2006 - 14:11:11 PST)
- Re: amber-developers: pathscale, gfortran and pgf90 problems (Fri Mar 31 2006 - 14:35:24 PST)
- Re: amber-developers: pathscale, gfortran and pgf90 problems (Fri Mar 31 2006 - 16:38:46 PST)
- Re: amber-developers: pgf90 and netcdf (Fri Mar 31 2006 - 16:59:59 PST)
- Re: amber-developers: pgf90 and netcdf (Fri Mar 31 2006 - 21:19:13 PST)
Thomas Cheatham
- Re: amber-developers: ti_ggcc tests.. vlimit errors? (Fri Mar 31 2006 - 00:04:47 PST)
Thomas E. Cheatham, III
- Re: amber-developers: Problem in ptraj when using mmpbsa (Tue Mar 14 2006 - 15:05:32 PST)
- Re: amber-developers: ti_ggcc tests.. vlimit errors? (Wed Mar 29 2006 - 16:36:04 PST)
- Re: amber-developers: ti_ggcc tests.. vlimit errors? (Thu Mar 30 2006 - 23:58:29 PST)
Xuebin Qiao
- amber-developers: Proposal: a firefox extension for amber8 html-based user manual (Sun Mar 19 2006 - 06:44:44 PST)
- Re: amber-developers: Proposal: a firefox extension for amber8 html-based user manual (Mon Mar 20 2006 - 04:11:03 PST)

Amber Developers Archive Mar 2006 by author