Amber Developers Archive Dec 2009: by subject

[AMBER-Developers] amber test failures
- David A. Case (Tue Dec 22 2009 - 19:38:03 PST)
- Jason Swails (Tue Dec 22 2009 - 09:00:50 PST)
- David A. Case (Tue Dec 22 2009 - 05:53:00 PST)
- Jason Swails (Mon Dec 21 2009 - 21:04:01 PST)
[AMBER-Developers] AmberLite package from Romain Wolf
- case (Wed Dec 02 2009 - 12:49:03 PST)
[AMBER-Developers] antechamber / sqm peptide correction
- Andreas Goetz (Wed Dec 16 2009 - 19:36:36 PST)
- Gustavo Seabra (Wed Dec 16 2009 - 18:54:43 PST)
- Andreas Goetz (Tue Dec 15 2009 - 17:48:01 PST)
[AMBER-Developers] AT test, weird csh,rm thing
- Scott Brozell (Thu Dec 17 2009 - 00:09:49 PST)
[AMBER-Developers] compiling with ia64
- Lachele Foley (Mon Dec 14 2009 - 14:59:35 PST)
- case (Mon Dec 14 2009 - 12:37:41 PST)
- Lachele Foley (Mon Dec 14 2009 - 11:35:28 PST)
[AMBER-Developers] configure modified for Cray XT5
- Jason Swails (Thu Dec 17 2009 - 14:33:08 PST)
- case (Sat Dec 12 2009 - 13:10:19 PST)
- Ross Walker (Sat Dec 12 2009 - 09:56:18 PST)
- Jason Swails (Fri Dec 11 2009 - 22:23:46 PST)
- Scott Brozell (Fri Dec 11 2009 - 17:33:16 PST)
- Jason Swails (Fri Dec 11 2009 - 17:13:57 PST)
- Ross Walker (Fri Dec 11 2009 - 17:04:33 PST)
- Jason Swails (Fri Dec 11 2009 - 15:06:05 PST)
[AMBER-Developers] configure/BINTRAJ
- Volodymyr Babin (Sun Dec 13 2009 - 18:53:49 PST)
- Lachele Foley (Sun Dec 13 2009 - 11:18:23 PST)
- case (Sun Dec 13 2009 - 06:30:51 PST)
- Volodymyr Babin (Fri Dec 11 2009 - 09:26:50 PST)
[AMBER-Developers] cygwin issues
- Mengjuei Hsieh (Thu Dec 31 2009 - 14:34:42 PST)
- case (Thu Dec 31 2009 - 06:34:02 PST)
- Mengjuei Hsieh (Wed Dec 30 2009 - 16:15:43 PST)
- Mengjuei Hsieh (Tue Dec 29 2009 - 20:47:01 PST)
- case (Tue Dec 29 2009 - 20:06:22 PST)
- Mengjuei Hsieh (Tue Dec 29 2009 - 13:40:41 PST)
[AMBER-Developers] Do sleap support water?
- Mengjuei Hsieh (Wed Dec 02 2009 - 23:50:08 PST)
- Wei Zhang (Wed Dec 02 2009 - 07:54:25 PST)
[AMBER-Developers] Docs
- Lachele Foley (Wed Dec 16 2009 - 06:49:17 PST)
- Scott Brozell (Tue Dec 15 2009 - 22:06:41 PST)
- Jason Swails (Tue Dec 15 2009 - 19:18:33 PST)
- case (Tue Dec 15 2009 - 18:30:09 PST)
- Scott Brozell (Tue Dec 15 2009 - 16:23:33 PST)
- Lachele Foley (Tue Dec 15 2009 - 14:35:43 PST)
[AMBER-Developers] easy ia64 configure fixes
- case (Sat Dec 19 2009 - 09:34:14 PST)
- Lachele Foley (Fri Dec 18 2009 - 12:55:29 PST)
[AMBER-Developers] fedora x11 libs
- Scott Brozell (Fri Dec 11 2009 - 22:46:02 PST)
- Mengjuei Hsieh (Fri Dec 11 2009 - 04:44:00 PST)
- Scott Brozell (Thu Dec 10 2009 - 19:25:19 PST)
- MengJuei Hsieh (Thu Dec 10 2009 - 14:50:30 PST)
- Scott Brozell (Thu Dec 10 2009 - 14:20:06 PST)
[AMBER-Developers] getting close for AmberTools 1.3
- Jason Swails (Sun Dec 13 2009 - 21:55:26 PST)
- Volodymyr Babin (Sun Dec 13 2009 - 20:13:40 PST)
- case (Sun Dec 13 2009 - 18:11:37 PST)
[AMBER-Developers] latest release candidate for AmberTools 1.3
- Scott Brozell (Sun Dec 13 2009 - 14:35:02 PST)
- Jason Swails (Sun Dec 13 2009 - 07:27:35 PST)
- Scott Brozell (Sat Dec 12 2009 - 23:10:46 PST)
- Jason Swails (Fri Dec 11 2009 - 11:08:52 PST)
- Jason Swails (Wed Dec 09 2009 - 19:15:56 PST)
- case (Wed Dec 09 2009 - 18:53:22 PST)
- Jason Swails (Wed Dec 09 2009 - 16:50:35 PST)
- Mengjuei Hsieh (Wed Dec 09 2009 - 16:10:39 PST)
- Mengjuei Hsieh (Wed Dec 09 2009 - 16:07:26 PST)
- Jason Swails (Wed Dec 09 2009 - 15:15:50 PST)
- case (Wed Dec 09 2009 - 14:55:11 PST)
- Scott Brozell (Wed Dec 09 2009 - 13:44:40 PST)
- case (Wed Dec 09 2009 - 13:33:52 PST)
- Jason Swails (Wed Dec 09 2009 - 12:42:05 PST)
- Mengjuei Hsieh (Wed Dec 09 2009 - 11:57:14 PST)
- case (Tue Dec 08 2009 - 04:41:39 PST)
- Scott Brozell (Mon Dec 07 2009 - 23:26:38 PST)
- Jason Swails (Mon Dec 07 2009 - 20:30:55 PST)
- Ray Luo (Mon Dec 07 2009 - 19:14:46 PST)
- case (Mon Dec 07 2009 - 19:02:20 PST)
- Mengjuei Hsieh (Mon Dec 07 2009 - 15:53:19 PST)
- Jason Swails (Mon Dec 07 2009 - 14:51:37 PST)
- case (Mon Dec 07 2009 - 06:53:25 PST)
[AMBER-Developers] lmod xmin problems with sander and sqm
- istvan.kolossvary.hu (Fri Dec 11 2009 - 08:57:49 PST)
- case (Fri Dec 11 2009 - 08:50:24 PST)
- istvan.kolossvary.hu (Fri Dec 11 2009 - 07:27:44 PST)
- case (Fri Dec 11 2009 - 06:11:03 PST)
- case (Fri Dec 11 2009 - 04:57:42 PST)
- case (Fri Dec 11 2009 - 04:56:50 PST)
- Scott Brozell (Thu Dec 10 2009 - 19:35:15 PST)
- istvan.kolossvary.hu (Thu Dec 10 2009 - 18:54:26 PST)
- Andreas Goetz (Thu Dec 10 2009 - 17:48:26 PST)
- istvan.kolossvary.hu (Wed Dec 09 2009 - 19:22:43 PST)
- case (Wed Dec 09 2009 - 19:04:51 PST)
- Andreas Goetz (Wed Dec 09 2009 - 17:31:15 PST)
- Scott Brozell (Wed Dec 09 2009 - 10:19:19 PST)
- case (Sat Dec 05 2009 - 18:56:34 PST)
- istvan.kolossvary.hu (Sat Dec 05 2009 - 09:41:46 PST)
- Andreas Goetz (Fri Dec 04 2009 - 19:12:12 PST)
[AMBER-Developers] more on sqm gradients and xmin performance
- istvan.kolossvary.hu (Sat Dec 19 2009 - 08:44:45 PST)
- istvan.kolossvary.hu (Fri Dec 18 2009 - 08:29:08 PST)
- case (Fri Dec 18 2009 - 04:37:45 PST)
- Andreas Goetz (Thu Dec 17 2009 - 16:24:26 PST)
- Ross Walker (Thu Dec 17 2009 - 12:52:52 PST)
- istvan.kolossvary.hu (Thu Dec 17 2009 - 11:40:54 PST)
- case (Thu Dec 17 2009 - 09:25:39 PST)
[AMBER-Developers] Near-final version of AmberTools 1.3
- David A. Case (Wed Dec 23 2009 - 18:45:20 PST)
- Jason Swails (Wed Dec 23 2009 - 16:02:46 PST)
- Sally Pias (Wed Dec 23 2009 - 10:21:51 PST)
- Mengjuei Hsieh (Tue Dec 22 2009 - 21:29:03 PST)
- David A. Case (Tue Dec 22 2009 - 19:30:24 PST)
- Mengjuei Hsieh (Tue Dec 22 2009 - 10:04:41 PST)
- Mengjuei Hsieh (Tue Dec 22 2009 - 09:56:06 PST)
- Andreas Goetz (Mon Dec 21 2009 - 00:38:33 PST)
- Mengjuei Hsieh (Sun Dec 20 2009 - 16:26:06 PST)
- case (Sat Dec 19 2009 - 09:29:52 PST)
- case (Sat Dec 19 2009 - 09:27:57 PST)
- Andreas Goetz (Sat Dec 19 2009 - 00:30:02 PST)
- Jason Swails (Fri Dec 18 2009 - 18:36:35 PST)
- case (Fri Dec 18 2009 - 09:39:19 PST)
[AMBER-Developers] netcdf reference despite no netcdf config
- case (Tue Dec 08 2009 - 15:05:09 PST)
- Lachele Foley (Tue Dec 08 2009 - 12:37:27 PST)
- case (Tue Dec 08 2009 - 06:36:04 PST)
- case (Mon Dec 07 2009 - 18:56:49 PST)
- Lachele Foley (Mon Dec 07 2009 - 14:17:36 PST)
- Jason Swails (Mon Dec 07 2009 - 13:50:17 PST)
- Lachele Foley (Mon Dec 07 2009 - 13:17:50 PST)
[AMBER-Developers] please refrain from any commits to the at3 branch
- case (Sat Dec 19 2009 - 11:41:31 PST)
[AMBER-Developers] Problems with AMBERTools Readme_at
- case (Sat Dec 19 2009 - 09:26:49 PST)
- case (Sat Dec 19 2009 - 09:26:26 PST)
- Jason Swails (Sat Dec 19 2009 - 07:48:59 PST)
- Ross Walker (Sat Dec 19 2009 - 03:59:34 PST)
[AMBER-Developers] PTRAJ: Formatted REMD trajectory bug
- Daniel Roe (Tue Dec 15 2009 - 11:08:26 PST)
[AMBER-Developers] ptraj_comprehensive test
- case (Sun Dec 13 2009 - 05:45:41 PST)
- Scott Brozell (Sat Dec 12 2009 - 13:47:48 PST)
- Jason Swails (Fri Dec 11 2009 - 12:13:56 PST)
- Ross Walker (Fri Dec 11 2009 - 09:08:17 PST)
- Jason Swails (Fri Dec 11 2009 - 08:49:12 PST)
- Ross Walker (Fri Dec 11 2009 - 08:37:40 PST)
- Jason Swails (Fri Dec 11 2009 - 08:26:12 PST)
[AMBER-Developers] restraint bug?
- matthew_seetin.urmc.rochester.edu (Sat Dec 12 2009 - 21:42:12 PST)
- case (Sat Dec 12 2009 - 13:13:41 PST)
[AMBER-Developers] sleap issues
- Wei Zhang (Thu Dec 10 2009 - 13:58:58 PST)
- Lachele Foley (Thu Dec 10 2009 - 08:32:43 PST)
- Wei Zhang (Wed Dec 09 2009 - 20:18:49 PST)
- Wei Zhang (Wed Dec 09 2009 - 13:57:39 PST)
- Lachele Foley (Wed Dec 09 2009 - 13:53:13 PST)
[AMBER-Developers] Updated mdinfo file.
- Carlos Simmerling (Sun Dec 20 2009 - 07:57:41 PST)
- Robert Duke (Sat Dec 19 2009 - 17:21:34 PST)
- 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] updating the AmberTools users manual
- case (Thu Dec 10 2009 - 06:04:32 PST)
[AMBER-Developers] Using gnu compilers on Snow Leopard
- Mengjuei Hsieh (Thu Dec 10 2009 - 16:59:55 PST)
- case (Tue Dec 08 2009 - 12:21:30 PST)
[AMBER-Developers] yet another AmberTools release candidate
- Mengjuei Hsieh (Wed Dec 09 2009 - 15:37:28 PST)
- Andreas Svrcek-Seiler (Tue Dec 08 2009 - 13:45:38 PST)
- Mengjuei Hsieh (Tue Dec 08 2009 - 11:52:51 PST)
- Jason Swails (Tue Dec 08 2009 - 11:32:28 PST)
- case (Tue Dec 08 2009 - 07:36:17 PST)
- Andreas Svrcek-Seiler (Tue Dec 08 2009 - 07:02:56 PST)
- case (Tue Dec 08 2009 - 06:10:38 PST)
[AMBER] Number of Cycles
- Robert Duke (Tue Dec 15 2009 - 09:33:03 PST)
- Jason Swails (Tue Dec 15 2009 - 09:22:57 PST)
Atomic radii assignment for WAT molecules
- MengJuei Hsieh (Tue Dec 01 2009 - 14:39:18 PST)
- MengJuei Hsieh (Tue Dec 01 2009 - 14:25:46 PST)
- Carlos Simmerling (Tue Dec 01 2009 - 09:41:23 PST)
- Scott Brozell (Tue Dec 01 2009 - 09:20:16 PST)
- case (Tue Dec 01 2009 - 07:53:44 PST)
some xmin issues: LBFGS vs TCNG
- istvan.kolossvary.hu (Tue Dec 15 2009 - 07:39:50 PST)
- Andreas Goetz (Mon Dec 14 2009 - 18:52:07 PST)
- istvan.kolossvary.hu (Mon Dec 14 2009 - 17:05:26 PST)
- case (Sun Dec 13 2009 - 10:39:22 PST)
- istvan.kolossvary.hu (Sun Dec 13 2009 - 10:32:58 PST)
- case (Sun Dec 13 2009 - 06:11:16 PST)

Amber Developers Archive Dec 2009 by subject