Amber Developers Archive Dec 2009 by thread
162 messages
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Tue Dec 01 2009 - 08:00:02 PST,
Ending
Thu Dec 31 2009 - 15:00:02 PST
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Re: [AMBER-Developers] Re: Atomic radii assignment for WAT molecules
case
(Tue Dec 01 2009 - 07:53:44 PST)
Re: [AMBER-Developers] Re: Atomic radii assignment for WAT molecules
Scott Brozell
(Tue Dec 01 2009 - 09:20:16 PST)
Re: [AMBER-Developers] Re: Atomic radii assignment for WAT molecules
Carlos Simmerling
(Tue Dec 01 2009 - 09:41:23 PST)
Re: [AMBER-Developers] Re: Atomic radii assignment for WAT molecules
MengJuei Hsieh
(Tue Dec 01 2009 - 14:25:46 PST)
Re: [AMBER-Developers] Re: Atomic radii assignment for WAT molecules
MengJuei Hsieh
(Tue Dec 01 2009 - 14:39:18 PST)
Re: [AMBER-Developers] Do sleap support water?
Wei Zhang
(Wed Dec 02 2009 - 07:54:25 PST)
Re: [AMBER-Developers] Do sleap support water?
Mengjuei Hsieh
(Wed Dec 02 2009 - 23:50:08 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)
Re: [AMBER-Developers] lmod xmin problems with sander and sqm
istvan.kolossvary.hu
(Sat Dec 05 2009 - 09:41:46 PST)
Re: [AMBER-Developers] lmod xmin problems with sander and sqm
Scott Brozell
(Wed Dec 09 2009 - 10:19:19 PST)
Re: [AMBER-Developers] lmod xmin problems with sander and sqm
Andreas Goetz
(Wed Dec 09 2009 - 17:31:15 PST)
Re: [AMBER-Developers] lmod xmin problems with sander and sqm
case
(Wed Dec 09 2009 - 19:04:51 PST)
Re: [AMBER-Developers] lmod xmin problems with sander and sqm
Andreas Goetz
(Thu Dec 10 2009 - 17:48:26 PST)
Re: [AMBER-Developers] lmod xmin problems with sander and sqm
istvan.kolossvary.hu
(Thu Dec 10 2009 - 18:54:26 PST)
Re: [AMBER-Developers] lmod xmin problems with sander and sqm
case
(Fri Dec 11 2009 - 04:56:50 PST)
Re: [AMBER-Developers] lmod xmin problems with sander and sqm
istvan.kolossvary.hu
(Fri Dec 11 2009 - 07:27:44 PST)
Re: [AMBER-Developers] lmod xmin problems with sander and sqm
case
(Fri Dec 11 2009 - 08:50:24 PST)
Re: [AMBER-Developers] lmod xmin problems with sander and sqm
istvan.kolossvary.hu
(Fri Dec 11 2009 - 08:57:49 PST)
Re: [AMBER-Developers] lmod xmin problems with sander and sqm
Scott Brozell
(Thu Dec 10 2009 - 19:35:15 PST)
Re: [AMBER-Developers] lmod xmin problems with sander and sqm
case
(Fri Dec 11 2009 - 04:57:42 PST)
Re: [AMBER-Developers] lmod xmin problems with sander and sqm
case
(Fri Dec 11 2009 - 06:11:03 PST)
Re: [AMBER-Developers] lmod xmin problems with sander and sqm
istvan.kolossvary.hu
(Wed Dec 09 2009 - 19:22:43 PST)
Re: [AMBER-Developers] lmod xmin problems with sander and sqm
case
(Sat Dec 05 2009 - 18:56:34 PST)
[AMBER-Developers] latest release candidate for AmberTools 1.3
case
(Mon Dec 07 2009 - 06:53:25 PST)
Re: [AMBER-Developers] latest release candidate for AmberTools 1.3
Jason Swails
(Mon Dec 07 2009 - 14:51:37 PST)
Re: [AMBER-Developers] latest release candidate for AmberTools 1.3
Mengjuei Hsieh
(Mon Dec 07 2009 - 15:53:19 PST)
Re: [AMBER-Developers] latest release candidate for AmberTools 1.3
case
(Mon Dec 07 2009 - 19:02:20 PST)
Re: [AMBER-Developers] latest release candidate for AmberTools 1.3
Jason Swails
(Mon Dec 07 2009 - 20:30:55 PST)
Re: [AMBER-Developers] latest release candidate for AmberTools 1.3
Scott Brozell
(Mon Dec 07 2009 - 23:26:38 PST)
Re: [AMBER-Developers] latest release candidate for AmberTools 1.3
case
(Tue Dec 08 2009 - 04:41:39 PST)
Re: [AMBER-Developers] latest release candidate for AmberTools 1.3
Ray Luo
(Mon Dec 07 2009 - 19:14:46 PST)
Re: [AMBER-Developers] latest release candidate for AmberTools 1.3
Mengjuei Hsieh
(Wed Dec 09 2009 - 11:57:14 PST)
Re: [AMBER-Developers] latest release candidate for AmberTools 1.3
Jason Swails
(Wed Dec 09 2009 - 12:42:05 PST)
Re: [AMBER-Developers] latest release candidate for AmberTools 1.3
Scott Brozell
(Wed Dec 09 2009 - 13:44:40 PST)
Re: [AMBER-Developers] latest release candidate for AmberTools 1.3
Jason Swails
(Wed Dec 09 2009 - 15:15:50 PST)
Re: [AMBER-Developers] latest release candidate for AmberTools 1.3
case
(Wed Dec 09 2009 - 14:55:11 PST)
Re: [AMBER-Developers] latest release candidate for AmberTools 1.3
Jason Swails
(Wed Dec 09 2009 - 16:50:35 PST)
Re: [AMBER-Developers] latest release candidate for AmberTools 1.3
case
(Wed Dec 09 2009 - 18:53:22 PST)
Re: [AMBER-Developers] latest release candidate for AmberTools 1.3
Jason Swails
(Wed Dec 09 2009 - 19:15:56 PST)
Re: [AMBER-Developers] latest release candidate for AmberTools 1.3
Jason Swails
(Fri Dec 11 2009 - 11:08:52 PST)
Re: [AMBER-Developers] latest release candidate for AmberTools 1.3
Scott Brozell
(Sat Dec 12 2009 - 23:10:46 PST)
Re: [AMBER-Developers] latest release candidate for AmberTools 1.3
Jason Swails
(Sun Dec 13 2009 - 07:27:35 PST)
Re: [AMBER-Developers] latest release candidate for AmberTools 1.3
Scott Brozell
(Sun Dec 13 2009 - 14:35:02 PST)
Re: [AMBER-Developers] latest release candidate for AmberTools 1.3
Mengjuei Hsieh
(Wed Dec 09 2009 - 16:10:39 PST)
Re: [AMBER-Developers] latest release candidate for AmberTools 1.3
case
(Wed Dec 09 2009 - 13:33:52 PST)
Re: [AMBER-Developers] latest release candidate for AmberTools 1.3
Mengjuei Hsieh
(Wed Dec 09 2009 - 16:07:26 PST)
[AMBER-Developers] netcdf reference despite no netcdf config
Lachele Foley
(Mon Dec 07 2009 - 13:17:50 PST)
Re: [AMBER-Developers] netcdf reference despite no netcdf config
Jason Swails
(Mon Dec 07 2009 - 13:50:17 PST)
Re: [AMBER-Developers] netcdf reference despite no netcdf config
case
(Mon Dec 07 2009 - 18:56:49 PST)
Re: [AMBER-Developers] netcdf reference despite no netcdf config
Lachele Foley
(Mon Dec 07 2009 - 14:17:36 PST)
Re: [AMBER-Developers] netcdf reference despite no netcdf config
case
(Tue Dec 08 2009 - 06:36:04 PST)
Re: [AMBER-Developers] netcdf reference despite no netcdf config
Lachele Foley
(Tue Dec 08 2009 - 12:37:27 PST)
Re: [AMBER-Developers] netcdf reference despite no netcdf config
case
(Tue Dec 08 2009 - 15:05:09 PST)
[AMBER-Developers] yet another AmberTools release candidate
case
(Tue Dec 08 2009 - 06:10:38 PST)
Re: [AMBER-Developers] yet another AmberTools release candidate
Andreas Svrcek-Seiler
(Tue Dec 08 2009 - 07:02:56 PST)
Re: [AMBER-Developers] yet another AmberTools release candidate
case
(Tue Dec 08 2009 - 07:36:17 PST)
Re: [AMBER-Developers] yet another AmberTools release candidate
Jason Swails
(Tue Dec 08 2009 - 11:32:28 PST)
[AMBER-Developers] Using gnu compilers on Snow Leopard
case
(Tue Dec 08 2009 - 12:21:30 PST)
Re: [AMBER-Developers] Using gnu compilers on Snow Leopard
Mengjuei Hsieh
(Thu Dec 10 2009 - 16:59:55 PST)
Re: [AMBER-Developers] yet another AmberTools release candidate
Andreas Svrcek-Seiler
(Tue Dec 08 2009 - 13:45:38 PST)
Re: [AMBER-Developers] yet another AmberTools release candidate
Mengjuei Hsieh
(Tue Dec 08 2009 - 11:52:51 PST)
Re: [AMBER-Developers] yet another AmberTools release candidate
Mengjuei Hsieh
(Wed Dec 09 2009 - 15:37:28 PST)
[AMBER-Developers] sleap issues
Lachele Foley
(Wed Dec 09 2009 - 13:53:13 PST)
Re: [AMBER-Developers] sleap issues
Wei Zhang
(Wed Dec 09 2009 - 13:57:39 PST)
Re: [AMBER-Developers] sleap issues
Wei Zhang
(Wed Dec 09 2009 - 20:18:49 PST)
Re: [AMBER-Developers] sleap issues
Lachele Foley
(Thu Dec 10 2009 - 08:32:43 PST)
Re: [AMBER-Developers] sleap issues
Wei Zhang
(Thu Dec 10 2009 - 13:58:58 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)
Re: [AMBER-Developers] fedora x11 libs
MengJuei Hsieh
(Thu Dec 10 2009 - 14:50:30 PST)
Re: [AMBER-Developers] fedora x11 libs
Scott Brozell
(Thu Dec 10 2009 - 19:25:19 PST)
Re: [AMBER-Developers] fedora x11 libs
Mengjuei Hsieh
(Fri Dec 11 2009 - 04:44:00 PST)
Re: [AMBER-Developers] fedora x11 libs
Scott Brozell
(Fri Dec 11 2009 - 22:46:02 PST)
[AMBER-Developers] ptraj_comprehensive test
Jason Swails
(Fri Dec 11 2009 - 08:26:12 PST)
RE: [AMBER-Developers] ptraj_comprehensive test
Ross Walker
(Fri Dec 11 2009 - 08:37:40 PST)
Re: [AMBER-Developers] ptraj_comprehensive test
Jason Swails
(Fri Dec 11 2009 - 08:49:12 PST)
RE: [AMBER-Developers] ptraj_comprehensive test
Ross Walker
(Fri Dec 11 2009 - 09:08:17 PST)
Re: [AMBER-Developers] ptraj_comprehensive test
Jason Swails
(Fri Dec 11 2009 - 12:13:56 PST)
Re: [AMBER-Developers] ptraj_comprehensive test
Scott Brozell
(Sat Dec 12 2009 - 13:47:48 PST)
Re: [AMBER-Developers] ptraj_comprehensive test
case
(Sun Dec 13 2009 - 05:45:41 PST)
[AMBER-Developers] configure/BINTRAJ
Volodymyr Babin
(Fri Dec 11 2009 - 09:26:50 PST)
Re: [AMBER-Developers] configure/BINTRAJ
case
(Sun Dec 13 2009 - 06:30:51 PST)
Re: [AMBER-Developers] configure/BINTRAJ
Volodymyr Babin
(Sun Dec 13 2009 - 18:53:49 PST)
Re: [AMBER-Developers] configure/BINTRAJ
Lachele Foley
(Sun Dec 13 2009 - 11:18:23 PST)
[AMBER-Developers] configure modified for Cray XT5
Jason Swails
(Fri Dec 11 2009 - 15:06:05 PST)
RE: [AMBER-Developers] configure modified for Cray XT5
Ross Walker
(Fri Dec 11 2009 - 17:04:33 PST)
Re: [AMBER-Developers] configure modified for Cray XT5
Jason Swails
(Fri Dec 11 2009 - 17:13:57 PST)
Re: [AMBER-Developers] configure modified for Cray XT5
Scott Brozell
(Fri Dec 11 2009 - 17:33:16 PST)
Re: [AMBER-Developers] configure modified for Cray XT5
Jason Swails
(Fri Dec 11 2009 - 22:23:46 PST)
RE: [AMBER-Developers] configure modified for Cray XT5
Ross Walker
(Sat Dec 12 2009 - 09:56:18 PST)
Re: [AMBER-Developers] configure modified for Cray XT5
case
(Sat Dec 12 2009 - 13:10:19 PST)
Re: [AMBER-Developers] configure modified for Cray XT5
Jason Swails
(Thu Dec 17 2009 - 14:33:08 PST)
[AMBER-Developers] restraint bug?
case
(Sat Dec 12 2009 - 13:13:41 PST)
RE: [AMBER-Developers] restraint bug?
matthew_seetin.urmc.rochester.edu
(Sat Dec 12 2009 - 21:42:12 PST)
[AMBER-Developers] Re: some xmin issues: LBFGS vs TCNG
case
(Sun Dec 13 2009 - 06:11:16 PST)
Re: [AMBER-Developers] Re: some xmin issues: LBFGS vs TCNG
istvan.kolossvary.hu
(Sun Dec 13 2009 - 10:32:58 PST)
Re: [AMBER-Developers] Re: some xmin issues: LBFGS vs TCNG
case
(Sun Dec 13 2009 - 10:39:22 PST)
Re: [AMBER-Developers] Re: some xmin issues: LBFGS vs TCNG
istvan.kolossvary.hu
(Mon Dec 14 2009 - 17:05:26 PST)
Re: [AMBER-Developers] Re: some xmin issues: LBFGS vs TCNG
Andreas Goetz
(Mon Dec 14 2009 - 18:52:07 PST)
Re: [AMBER-Developers] Re: some xmin issues: LBFGS vs TCNG
istvan.kolossvary.hu
(Tue Dec 15 2009 - 07:39:50 PST)
[AMBER-Developers] getting close for AmberTools 1.3
case
(Sun Dec 13 2009 - 18:11:37 PST)
Re: [AMBER-Developers] getting close for AmberTools 1.3
Volodymyr Babin
(Sun Dec 13 2009 - 20:13:40 PST)
Re: [AMBER-Developers] getting close for AmberTools 1.3
Jason Swails
(Sun Dec 13 2009 - 21:55:26 PST)
[AMBER-Developers] compiling with ia64
Lachele Foley
(Mon Dec 14 2009 - 11:35:28 PST)
Re: [AMBER-Developers] compiling with ia64
case
(Mon Dec 14 2009 - 12:37:41 PST)
Re: [AMBER-Developers] compiling with ia64
Lachele Foley
(Mon Dec 14 2009 - 14:59:35 PST)
[AMBER-Developers] Re: [AMBER] Number of Cycles
Jason Swails
(Tue Dec 15 2009 - 09:22:57 PST)
Re: [AMBER-Developers] Re: [AMBER] Number of Cycles
Robert Duke
(Tue Dec 15 2009 - 09:33:03 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)
Re: [AMBER-Developers] Docs
Scott Brozell
(Tue Dec 15 2009 - 16:23:33 PST)
Re: [AMBER-Developers] Docs
case
(Tue Dec 15 2009 - 18:30:09 PST)
Re: [AMBER-Developers] Docs
Jason Swails
(Tue Dec 15 2009 - 19:18:33 PST)
Re: [AMBER-Developers] Docs
Scott Brozell
(Tue Dec 15 2009 - 22:06:41 PST)
Re: [AMBER-Developers] Docs
Lachele Foley
(Wed Dec 16 2009 - 06:49:17 PST)
[AMBER-Developers] antechamber / sqm peptide correction
Andreas Goetz
(Tue Dec 15 2009 - 17:48:01 PST)
Re: [AMBER-Developers] antechamber / sqm peptide correction
Gustavo Seabra
(Wed Dec 16 2009 - 18:54:43 PST)
Re: [AMBER-Developers] antechamber / sqm peptide correction
Andreas Goetz
(Wed Dec 16 2009 - 19:36:36 PST)
Re: [AMBER-Developers] AT test, weird csh,rm thing
Scott Brozell
(Thu Dec 17 2009 - 00:09:49 PST)
[AMBER-Developers] more on sqm gradients and xmin performance
case
(Thu Dec 17 2009 - 09:25:39 PST)
Re: [AMBER-Developers] more on sqm gradients and xmin performance
istvan.kolossvary.hu
(Thu Dec 17 2009 - 11:40:54 PST)
RE: [AMBER-Developers] more on sqm gradients and xmin performance
Ross Walker
(Thu Dec 17 2009 - 12:52:52 PST)
Re: [AMBER-Developers] more on sqm gradients and xmin performance
Andreas Goetz
(Thu Dec 17 2009 - 16:24:26 PST)
Re: [AMBER-Developers] more on sqm gradients and xmin performance
case
(Fri Dec 18 2009 - 04:37:45 PST)
Re: [AMBER-Developers] more on sqm gradients and xmin performance
istvan.kolossvary.hu
(Fri Dec 18 2009 - 08:29:08 PST)
Re: [AMBER-Developers] more on sqm gradients and xmin performance
istvan.kolossvary.hu
(Sat Dec 19 2009 - 08:44:45 PST)
[AMBER-Developers] Near-final version of AmberTools 1.3
case
(Fri Dec 18 2009 - 09:39:19 PST)
Re: [AMBER-Developers] Near-final version of AmberTools 1.3
Jason Swails
(Fri Dec 18 2009 - 18:36:35 PST)
Re: [AMBER-Developers] Near-final version of AmberTools 1.3
case
(Sat Dec 19 2009 - 09:27:57 PST)
Re: [AMBER-Developers] Near-final version of AmberTools 1.3
Andreas Goetz
(Sat Dec 19 2009 - 00:30:02 PST)
Re: [AMBER-Developers] Near-final version of AmberTools 1.3
case
(Sat Dec 19 2009 - 09:29:52 PST)
Re: [AMBER-Developers] Near-final version of AmberTools 1.3
Andreas Goetz
(Mon Dec 21 2009 - 00:38:33 PST)
Re: [AMBER-Developers] Near-final version of AmberTools 1.3
Mengjuei Hsieh
(Sun Dec 20 2009 - 16:26:06 PST)
Re: [AMBER-Developers] Near-final version of AmberTools 1.3
Mengjuei Hsieh
(Tue Dec 22 2009 - 09:56:06 PST)
Re: [AMBER-Developers] Near-final version of AmberTools 1.3
Mengjuei Hsieh
(Tue Dec 22 2009 - 10:04:41 PST)
Re: [AMBER-Developers] Near-final version of AmberTools 1.3
David A. Case
(Tue Dec 22 2009 - 19:30:24 PST)
Re: [AMBER-Developers] Near-final version of AmberTools 1.3
Mengjuei Hsieh
(Tue Dec 22 2009 - 21:29:03 PST)
Re: [AMBER-Developers] Near-final version of AmberTools 1.3
Sally Pias
(Wed Dec 23 2009 - 10:21:51 PST)
Re: [AMBER-Developers] Near-final version of AmberTools 1.3
Jason Swails
(Wed Dec 23 2009 - 16:02:46 PST)
Re: [AMBER-Developers] Near-final version of AmberTools 1.3
David A. Case
(Wed Dec 23 2009 - 18:45:20 PST)
[AMBER-Developers] easy ia64 configure fixes
Lachele Foley
(Fri Dec 18 2009 - 12:55:29 PST)
Re: [AMBER-Developers] easy ia64 configure fixes
case
(Sat Dec 19 2009 - 09:34:14 PST)
[AMBER-Developers] Problems with AMBERTools Readme_at
Ross Walker
(Sat Dec 19 2009 - 03:59:34 PST)
Re: [AMBER-Developers] Problems with AMBERTools Readme_at
Jason Swails
(Sat Dec 19 2009 - 07:48:59 PST)
Re: [AMBER-Developers] Problems with AMBERTools Readme_at
case
(Sat Dec 19 2009 - 09:26:49 PST)
Re: [AMBER-Developers] Problems with AMBERTools Readme_at
case
(Sat Dec 19 2009 - 09:26:26 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)
Re: [AMBER-Developers] Updated mdinfo file.
Robert Duke
(Sat Dec 19 2009 - 17:21:34 PST)
Re: [AMBER-Developers] Updated mdinfo file.
Carlos Simmerling
(Sun Dec 20 2009 - 07:57:41 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)
Re: [AMBER-Developers] amber test failures
David A. Case
(Tue Dec 22 2009 - 05:53:00 PST)
Re: [AMBER-Developers] amber test failures
Jason Swails
(Tue Dec 22 2009 - 09:00:50 PST)
Re: [AMBER-Developers] amber test failures
David A. Case
(Tue Dec 22 2009 - 19:38:03 PST)
[AMBER-Developers] cygwin issues
Mengjuei Hsieh
(Tue Dec 29 2009 - 13:40:41 PST)
Re: [AMBER-Developers] cygwin issues
case
(Tue Dec 29 2009 - 20:06:22 PST)
Re: [AMBER-Developers] cygwin issues
Mengjuei Hsieh
(Tue Dec 29 2009 - 20:47:01 PST)
Re: [AMBER-Developers] cygwin issues
Mengjuei Hsieh
(Wed Dec 30 2009 - 16:15:43 PST)
Re: [AMBER-Developers] cygwin issues
case
(Thu Dec 31 2009 - 06:34:02 PST)
Re: [AMBER-Developers] cygwin issues
Mengjuei Hsieh
(Thu Dec 31 2009 - 14:34:42 PST)
Last message date
:
Thu Dec 31 2009 - 15:00:02 PST
Archived on
: Fri Dec 20 2024 - 05:02:33 PST
162 messages
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