Amber Developers Archive Mar 2010: by subject

[AMBER-Developers] 28 Mar release candidates for Amber11/AmberTools-1.4
- Scott Brozell (Wed Mar 31 2010 - 14:24:05 PDT)
- Ben Roberts (Wed Mar 31 2010 - 09:16:15 PDT)
- case (Wed Mar 31 2010 - 04:37:20 PDT)
- Daniel Roe (Wed Mar 31 2010 - 03:59:05 PDT)
- Jason Swails (Tue Mar 30 2010 - 20:33:42 PDT)
- case (Tue Mar 30 2010 - 19:34:25 PDT)
- Ben Roberts (Tue Mar 30 2010 - 18:49:09 PDT)
- Daniel Roe (Mon Mar 29 2010 - 19:41:18 PDT)
- Mark Williamson (Mon Mar 29 2010 - 15:38:48 PDT)
- Daniel Roe (Mon Mar 29 2010 - 15:04:37 PDT)
- Daniel Roe (Mon Mar 29 2010 - 14:08:01 PDT)
- case (Mon Mar 29 2010 - 12:40:38 PDT)
- Daniel Roe (Mon Mar 29 2010 - 12:26:22 PDT)
- Daniel Roe (Mon Mar 29 2010 - 11:39:59 PDT)
- case (Mon Mar 29 2010 - 11:26:18 PDT)
- Jason Swails (Mon Mar 29 2010 - 10:44:03 PDT)
- Mengjuei Hsieh (Mon Mar 29 2010 - 10:18:32 PDT)
- Volodymyr Babin (Mon Mar 29 2010 - 10:00:59 PDT)
- Jason Swails (Mon Mar 29 2010 - 08:37:14 PDT)
- case (Mon Mar 29 2010 - 08:24:13 PDT)
- steinbrt.rci.rutgers.edu (Mon Mar 29 2010 - 07:30:26 PDT)
- case (Mon Mar 29 2010 - 05:52:10 PDT)
- Mengjuei Hsieh (Sun Mar 28 2010 - 20:54:39 PDT)
- Jason Swails (Sun Mar 28 2010 - 20:43:02 PDT)
- case (Sun Mar 28 2010 - 19:52:36 PDT)
[AMBER-Developers] 28 Mar release candidates for Amber11/AmberTools-1.4]
- Mark Williamson (Tue Mar 30 2010 - 12:56:02 PDT)
[AMBER-Developers] Almost ready for first Amber11 release candidate
- case (Mon Mar 01 2010 - 18:04:26 PST)
- Scott Brozell (Mon Mar 01 2010 - 16:43:50 PST)
[AMBER-Developers] ambertools nab test failure
- MengJuei Hsieh (Tue Mar 09 2010 - 17:53:03 PST)
- Jason Swails (Tue Mar 09 2010 - 14:44:12 PST)
[AMBER-Developers] AmberTools.lyx vs AmberTools.pdf
- case (Tue Mar 23 2010 - 16:29:34 PDT)
- Timothy J Giese (Tue Mar 23 2010 - 13:14:59 PDT)
[AMBER-Developers] Another error (netcdf) with -j8
- Ben Roberts (Wed Mar 03 2010 - 13:33:39 PST)
- Ben Roberts (Wed Mar 03 2010 - 13:27:48 PST)
[AMBER-Developers] Another sleap complaint - Assertion failed
- Ben Roberts (Thu Mar 18 2010 - 09:02:40 PDT)
- Scott Brozell (Wed Mar 17 2010 - 22:04:08 PDT)
- Ben Roberts (Wed Mar 17 2010 - 12:24:52 PDT)
[AMBER-Developers] AT compilation error
- Scott Brozell (Thu Mar 11 2010 - 10:24:37 PST)
- case (Thu Mar 11 2010 - 04:41:21 PST)
- Jason Swails (Wed Mar 10 2010 - 20:57:42 PST)
- InSuk Joung (Wed Mar 10 2010 - 19:46:28 PST)
- Jason Swails (Wed Mar 10 2010 - 19:02:36 PST)
- InSuk Joung (Wed Mar 10 2010 - 18:11:24 PST)
- case (Wed Mar 10 2010 - 13:17:56 PST)
- InSuk Joung (Wed Mar 10 2010 - 11:53:31 PST)
- case (Wed Mar 10 2010 - 11:26:31 PST)
- InSuk Joung (Wed Mar 10 2010 - 11:02:12 PST)
[AMBER-Developers] AT serial compile error
- InSuk Joung (Sun Mar 28 2010 - 08:59:33 PDT)
- Tyler Luchko (Sat Mar 27 2010 - 18:14:39 PDT)
- InSuk Joung (Sat Mar 27 2010 - 07:57:13 PDT)
[AMBER-Developers] Attn: sleap developer(s) - doesn't like solvateCap?
- Ben Roberts (Wed Mar 17 2010 - 08:08:46 PDT)
- Wei Zhang (Tue Mar 16 2010 - 18:45:14 PDT)
- Ben Roberts (Tue Mar 16 2010 - 17:48:41 PDT)
[AMBER-Developers] Automatically detecting 32 bit compiles in configure
- Scott Brozell (Thu Mar 11 2010 - 12:06:30 PST)
- Mengjuei Hsieh (Thu Mar 11 2010 - 12:02:53 PST)
- Volodymyr Babin (Thu Mar 11 2010 - 10:36:18 PST)
- Ross Walker (Thu Mar 11 2010 - 10:25:55 PST)
[AMBER-Developers] Build of AmberTools failed in libnab.a
- MengJuei Hsieh (Tue Mar 02 2010 - 18:54:53 PST)
- MengJuei Hsieh (Tue Mar 02 2010 - 18:04:18 PST)
- Ben Roberts (Tue Mar 02 2010 - 15:13:22 PST)
- Ben Roberts (Tue Mar 02 2010 - 14:47:52 PST)
[AMBER-Developers] Case InSeNsitiVITY on MACS
- Andreas Goetz (Tue Mar 02 2010 - 16:32:39 PST)
- Ross Walker (Tue Mar 02 2010 - 14:02:30 PST)
[AMBER-Developers] CHAMBER string lengths
- Mark Williamson (Fri Mar 26 2010 - 13:22:33 PDT)
- Mark Williamson (Fri Mar 26 2010 - 13:18:47 PDT)
- Tyler Luchko (Fri Mar 26 2010 - 13:08:12 PDT)
[AMBER-Developers] citation updates needed
- Jason Swails (Tue Mar 30 2010 - 09:31:56 PDT)
- case (Tue Mar 30 2010 - 09:27:10 PDT)
[AMBER-Developers] Clean target broken in Release candidate + other issues.
- case (Wed Mar 31 2010 - 10:50:31 PDT)
- Ben Roberts (Wed Mar 31 2010 - 08:04:20 PDT)
- case (Tue Mar 30 2010 - 20:31:51 PDT)
- Ross Walker (Tue Mar 30 2010 - 19:35:11 PDT)
[AMBER-Developers] compile error
- Jason Swails (Wed Mar 03 2010 - 14:01:01 PST)
- Andreas Goetz (Wed Mar 03 2010 - 13:53:37 PST)
- Thorsten M Woelfle (Wed Mar 03 2010 - 13:27:10 PST)
- Jason Swails (Wed Mar 03 2010 - 13:18:56 PST)
- Mengjuei Hsieh (Wed Mar 03 2010 - 12:57:18 PST)
- Tyler Luchko (Wed Mar 03 2010 - 12:39:35 PST)
- Jason Swails (Wed Mar 03 2010 - 12:33:42 PST)
- case (Wed Mar 03 2010 - 12:08:27 PST)
- Jason Swails (Wed Mar 03 2010 - 09:29:24 PST)
- case (Wed Mar 03 2010 - 09:25:25 PST)
- Jason Swails (Wed Mar 03 2010 - 09:22:10 PST)
[AMBER-Developers] configure_openmpi
- case (Tue Mar 02 2010 - 12:44:27 PST)
- Robert Duke (Tue Mar 02 2010 - 11:09:37 PST)
- Jason Swails (Tue Mar 02 2010 - 10:56:48 PST)
- Robert Duke (Tue Mar 02 2010 - 08:58:25 PST)
- Jason Swails (Tue Mar 02 2010 - 08:16:58 PST)
- Lachele Foley (Tue Mar 02 2010 - 07:54:26 PST)
- Jason Swails (Tue Mar 02 2010 - 07:44:16 PST)
- case (Tue Mar 02 2010 - 05:04:49 PST)
- Jason Swails (Mon Mar 01 2010 - 21:38:18 PST)
[AMBER-Developers] Confusing clean targets.
- Gustavo Seabra (Tue Mar 02 2010 - 08:13:39 PST)
[AMBER-Developers] CUBE.dat and DISP.CHEK in DFTB
- Gustavo Seabra (Thu Mar 18 2010 - 19:00:44 PDT)
- Adrian Roitberg (Thu Mar 18 2010 - 15:17:57 PDT)
- Ross Walker (Thu Mar 18 2010 - 15:01:23 PDT)
[AMBER-Developers] CUDA 3.0 Release candidate
- Ross Walker (Sat Mar 06 2010 - 09:54:34 PST)
- Jason Swails (Sat Mar 06 2010 - 09:42:03 PST)
- Ross Walker (Sat Mar 06 2010 - 09:38:32 PST)
[AMBER-Developers] cuda and sp/dp question
- Ross Walker (Thu Mar 18 2010 - 13:07:27 PDT)
- Jason Swails (Thu Mar 18 2010 - 12:52:26 PDT)
- Ross Walker (Thu Mar 18 2010 - 12:48:18 PDT)
- Jason Swails (Thu Mar 18 2010 - 12:30:11 PDT)
[AMBER-Developers] Current amber CVS test fails
- Carlos Simmerling (Fri Mar 19 2010 - 10:26:07 PDT)
- case (Fri Mar 19 2010 - 09:18:25 PDT)
- steinbrt.rci.rutgers.edu (Fri Mar 19 2010 - 08:52:16 PDT)
- Mark Williamson (Fri Mar 19 2010 - 08:47:46 PDT)
- case (Fri Mar 19 2010 - 07:41:14 PDT)
- Mark Williamson (Thu Mar 18 2010 - 16:39:54 PDT)
- Daniel Roe (Thu Mar 11 2010 - 06:36:32 PST)
- case (Thu Mar 11 2010 - 04:55:27 PST)
- case (Thu Mar 11 2010 - 04:38:50 PST)
- steinbrt.rci.rutgers.edu (Thu Mar 11 2010 - 00:23:40 PST)
- Mark Williamson (Wed Mar 10 2010 - 13:17:03 PST)
- Mark Williamson (Wed Mar 10 2010 - 12:05:48 PST)
- Ross Walker (Wed Mar 10 2010 - 11:10:14 PST)
- Volodymyr Babin (Wed Mar 10 2010 - 10:58:22 PST)
- case (Wed Mar 10 2010 - 10:47:01 PST)
- Volodymyr Babin (Wed Mar 10 2010 - 10:32:16 PST)
- steinbrt.rci.rutgers.edu (Wed Mar 10 2010 - 09:50:15 PST)
- Volodymyr Babin (Wed Mar 10 2010 - 09:44:18 PST)
- Volodymyr Babin (Wed Mar 10 2010 - 08:49:50 PST)
- case (Wed Mar 10 2010 - 08:45:20 PST)
- Volodymyr Babin (Wed Mar 10 2010 - 08:42:24 PST)
- Volodymyr Babin (Wed Mar 10 2010 - 08:32:17 PST)
- Robert Duke (Wed Mar 10 2010 - 07:59:50 PST)
- Ross Walker (Wed Mar 10 2010 - 07:56:52 PST)
- Mark Williamson (Wed Mar 10 2010 - 07:41:03 PST)
- Robert Duke (Wed Mar 10 2010 - 07:33:32 PST)
- Mark Williamson (Wed Mar 10 2010 - 07:11:50 PST)
[AMBER-Developers] Current build fail with amber11CVS
- Scott Brozell (Thu Mar 04 2010 - 10:15:19 PST)
- Ross Walker (Thu Mar 04 2010 - 09:13:02 PST)
- case (Thu Mar 04 2010 - 06:39:15 PST)
- Daniel Roe (Thu Mar 04 2010 - 06:21:07 PST)
- case (Thu Mar 04 2010 - 06:10:14 PST)
- case (Thu Mar 04 2010 - 05:58:28 PST)
- Daniel Roe (Thu Mar 04 2010 - 05:21:44 PST)
- Daniel Roe (Thu Mar 04 2010 - 05:17:49 PST)
- Mark Williamson (Thu Mar 04 2010 - 03:04:58 PST)
[AMBER-Developers] Current parallel test failures in the tree
- Ross Walker (Thu Mar 25 2010 - 10:36:57 PDT)
- Ross Walker (Thu Mar 25 2010 - 10:26:04 PDT)
- Lin Fu (Thu Mar 25 2010 - 10:17:14 PDT)
- Ross Walker (Thu Mar 25 2010 - 10:17:07 PDT)
- Daniel Roe (Thu Mar 25 2010 - 10:09:12 PDT)
- Lin Fu (Wed Mar 24 2010 - 19:19:34 PDT)
- Mark Williamson (Wed Mar 24 2010 - 18:37:43 PDT)
- Daniel Roe (Wed Mar 24 2010 - 16:25:19 PDT)
- Ross Walker (Wed Mar 24 2010 - 14:56:20 PDT)
- Mark Williamson (Wed Mar 24 2010 - 14:47:26 PDT)
- Ross Walker (Wed Mar 24 2010 - 12:15:01 PDT)
[AMBER-Developers] Current state of CVS tree. (GNU Compilers)
- Gustavo Seabra (Fri Mar 05 2010 - 06:02:25 PST)
- case (Fri Mar 05 2010 - 04:58:00 PST)
- steinbrt.rci.rutgers.edu (Fri Mar 05 2010 - 03:23:41 PST)
- Ross Walker (Thu Mar 04 2010 - 15:24:04 PST)
- case (Thu Mar 04 2010 - 14:58:37 PST)
- case (Thu Mar 04 2010 - 14:44:23 PST)
- Daniel Roe (Thu Mar 04 2010 - 13:02:20 PST)
- Ross Walker (Thu Mar 04 2010 - 13:02:41 PST)
- Volodymyr Babin (Thu Mar 04 2010 - 12:59:15 PST)
- Thorsten M Woelfle (Thu Mar 04 2010 - 12:57:13 PST)
- Daniel Roe (Thu Mar 04 2010 - 12:49:36 PST)
- Scott Brozell (Thu Mar 04 2010 - 12:46:22 PST)
- Tyler Luchko (Thu Mar 04 2010 - 12:43:19 PST)
- Ross Walker (Thu Mar 04 2010 - 12:30:25 PST)
[AMBER-Developers] Current state of CVS tree. (Intel Compilers)
- Jason Swails (Thu Mar 04 2010 - 15:59:43 PST)
- case (Thu Mar 04 2010 - 15:05:18 PST)
- Scott Brozell (Thu Mar 04 2010 - 13:34:53 PST)
- Ross Walker (Thu Mar 04 2010 - 13:22:40 PST)
- Daniel Roe (Thu Mar 04 2010 - 13:19:17 PST)
- Ross Walker (Thu Mar 04 2010 - 13:12:45 PST)
[AMBER-Developers] CVS Tree fixed
- Ross Walker (Fri Mar 05 2010 - 21:14:19 PST)
[AMBER-Developers] CVS Tree Locked
- Scott Brozell (Mon Mar 08 2010 - 14:50:34 PST)
- Gustavo Seabra (Mon Mar 08 2010 - 03:42:12 PST)
- Daniel Roe (Sun Mar 07 2010 - 06:45:49 PST)
- Gustavo Seabra (Sat Mar 06 2010 - 07:58:44 PST)
- Daniel Roe (Fri Mar 05 2010 - 20:36:16 PST)
- Ross Walker (Fri Mar 05 2010 - 20:33:32 PST)
- Daniel Roe (Fri Mar 05 2010 - 20:19:06 PST)
- Ross Walker (Fri Mar 05 2010 - 18:51:44 PST)
[AMBER-Developers] CVS versioning question
- Gustavo Seabra (Mon Mar 01 2010 - 18:20:05 PST)
- Scott Brozell (Mon Mar 01 2010 - 17:21:56 PST)
[AMBER-Developers] documentation
- case (Fri Mar 12 2010 - 12:24:09 PST)
- Mengjuei Hsieh (Fri Mar 12 2010 - 11:52:48 PST)
- Sally Pias (Fri Mar 12 2010 - 11:41:22 PST)
[AMBER-Developers] dsarpack complaint when compiling with ifort -check
- istvan.kolossvary.hu (Tue Mar 02 2010 - 07:27:21 PST)
- Scott Brozell (Mon Mar 01 2010 - 13:29:19 PST)
- Ben Roberts (Mon Mar 01 2010 - 13:19:36 PST)
[AMBER-Developers] encouraging users to consult the test cases as examples
- case (Sat Mar 20 2010 - 10:25:29 PDT)
[AMBER-Developers] error compiling amber
- Jason Swails (Tue Mar 02 2010 - 12:59:24 PST)
- case (Tue Mar 02 2010 - 12:46:32 PST)
- Jason Swails (Tue Mar 02 2010 - 12:18:15 PST)
- case (Tue Mar 02 2010 - 11:27:19 PST)
- Jason Swails (Tue Mar 02 2010 - 10:53:58 PST)
[AMBER-Developers] Error compiling under cygwin
- Gustavo Seabra (Tue Mar 02 2010 - 18:05:54 PST)
- Daniel Roe (Tue Mar 02 2010 - 12:50:05 PST)
[AMBER-Developers] Error compiling under cygwin: mm_pbsa - multiple definition of _csqrt
- Gustavo Seabra (Mon Mar 01 2010 - 10:43:49 PST)
- case (Mon Mar 01 2010 - 10:43:12 PST)
- Gustavo Seabra (Mon Mar 01 2010 - 10:18:36 PST)
[AMBER-Developers] EVB test cases failing
- Francesco Paesani (Tue Mar 30 2010 - 08:19:44 PDT)
- Daniel Roe (Tue Mar 30 2010 - 07:51:52 PDT)
- case (Tue Mar 30 2010 - 05:52:56 PDT)
[AMBER-Developers] finding intel libraries
- Scott Brozell (Fri Mar 19 2010 - 00:25:36 PDT)
- case (Thu Mar 18 2010 - 20:22:35 PDT)
- Volodymyr Babin (Thu Mar 18 2010 - 19:15:57 PDT)
- case (Thu Mar 18 2010 - 16:56:57 PDT)
[AMBER-Developers] First AmberTools release candidate
- Volodymyr Babin (Wed Mar 17 2010 - 08:03:53 PDT)
- case (Tue Mar 16 2010 - 20:00:23 PDT)
- case (Tue Mar 16 2010 - 19:33:06 PDT)
- Volodymyr Babin (Tue Mar 16 2010 - 19:13:33 PDT)
- Volodymyr Babin (Tue Mar 16 2010 - 18:17:30 PDT)
- Volodymyr Babin (Tue Mar 16 2010 - 18:01:10 PDT)
- case (Tue Mar 16 2010 - 17:19:09 PDT)
- Tyler Luchko (Tue Mar 16 2010 - 16:40:04 PDT)
- Daniel Roe (Tue Mar 16 2010 - 16:18:54 PDT)
- case (Tue Mar 16 2010 - 15:10:19 PDT)
- case (Tue Mar 16 2010 - 14:38:36 PDT)
- case (Tue Mar 16 2010 - 14:40:03 PDT)
- Ben Roberts (Tue Mar 16 2010 - 14:22:08 PDT)
- Lachele Foley (Tue Mar 16 2010 - 13:26:29 PDT)
- Volodymyr Babin (Tue Mar 16 2010 - 13:01:41 PDT)
- case (Tue Mar 16 2010 - 09:56:43 PDT)
[AMBER-Developers] Fwd: sleap help
- Wei Zhang (Thu Mar 25 2010 - 13:53:34 PDT)
- InSuk Joung (Thu Mar 25 2010 - 11:10:21 PDT)
[AMBER-Developers] getting there(!?!)
- case (Fri Mar 26 2010 - 08:28:21 PDT)
- Gustavo Seabra (Fri Mar 26 2010 - 07:54:07 PDT)
- case (Sat Mar 20 2010 - 11:07:00 PDT)
[AMBER-Developers] Help with Makefile syntax
- Scott Brozell (Thu Mar 04 2010 - 16:49:50 PST)
- Ross Walker (Thu Mar 04 2010 - 16:39:05 PST)
- Scott Brozell (Thu Mar 04 2010 - 16:18:48 PST)
- Ross Walker (Thu Mar 04 2010 - 16:07:15 PST)
[AMBER-Developers] Help with NVIDIA Compilation using ifort
- Scott Brozell (Wed Mar 31 2010 - 01:01:14 PDT)
- Ross Walker (Tue Mar 30 2010 - 20:35:30 PDT)
- Robert Duke (Tue Mar 30 2010 - 05:44:26 PDT)
- Scott Brozell (Mon Mar 29 2010 - 22:58:34 PDT)
- Ross Walker (Mon Mar 29 2010 - 21:54:05 PDT)
- Scott Brozell (Mon Mar 29 2010 - 21:29:15 PDT)
- case (Mon Mar 29 2010 - 11:20:56 PDT)
- Ross Walker (Mon Mar 29 2010 - 11:19:23 PDT)
- Robert Duke (Mon Mar 29 2010 - 11:10:55 PDT)
- Ross Walker (Mon Mar 29 2010 - 11:03:17 PDT)
- Robert Duke (Mon Mar 29 2010 - 10:44:48 PDT)
- Volodymyr Babin (Mon Mar 29 2010 - 10:32:28 PDT)
- Robert Duke (Mon Mar 29 2010 - 10:03:01 PDT)
- Volodymyr Babin (Mon Mar 29 2010 - 09:37:49 PDT)
- Robert Duke (Mon Mar 29 2010 - 09:26:54 PDT)
- Volodymyr Babin (Mon Mar 29 2010 - 09:18:09 PDT)
- Ross Walker (Mon Mar 29 2010 - 08:59:37 PDT)
- Volodymyr Babin (Fri Mar 26 2010 - 16:52:23 PDT)
- Timothy J Giese (Fri Mar 26 2010 - 16:15:23 PDT)
- Ross Walker (Fri Mar 26 2010 - 15:49:14 PDT)
[AMBER-Developers] ifcap and GB - potential problem?
- case (Mon Mar 29 2010 - 19:00:18 PDT)
- Ben Roberts (Mon Mar 29 2010 - 13:05:35 PDT)
- Carlos Simmerling (Sun Mar 28 2010 - 06:27:55 PDT)
- Ray Luo, Ph.D. (Sat Mar 27 2010 - 09:36:26 PDT)
- case (Fri Mar 26 2010 - 19:21:58 PDT)
- Ben Roberts (Fri Mar 26 2010 - 16:21:24 PDT)
- case (Fri Mar 26 2010 - 09:36:44 PDT)
- Ben Roberts (Wed Mar 24 2010 - 15:41:36 PDT)
[AMBER-Developers] infinite ptraj.MPI, was: First AmberTools release candidate
- Robert Duke (Wed Mar 17 2010 - 10:01:23 PDT)
- Lachele Foley (Wed Mar 17 2010 - 09:37:18 PDT)
- Robert Duke (Wed Mar 17 2010 - 06:35:55 PDT)
- Lachele Foley (Wed Mar 17 2010 - 06:10:11 PDT)
- case (Wed Mar 17 2010 - 04:43:57 PDT)
- case (Wed Mar 17 2010 - 04:38:44 PDT)
- Ross Walker (Tue Mar 16 2010 - 22:35:12 PDT)
- Lachele Foley (Tue Mar 16 2010 - 20:30:07 PDT)
- Daniel Roe (Tue Mar 16 2010 - 19:34:55 PDT)
- Lachele Foley (Tue Mar 16 2010 - 18:54:41 PDT)
- Daniel Roe (Tue Mar 16 2010 - 18:37:45 PDT)
- Lachele Foley (Tue Mar 16 2010 - 17:05:15 PDT)
[AMBER-Developers] Intel Terminology...
- Ross Walker (Wed Mar 10 2010 - 09:32:10 PST)
[AMBER-Developers] long path names
- Scott Brozell (Fri Mar 19 2010 - 01:48:10 PDT)
- Eric Pettersen (Thu Mar 18 2010 - 16:30:35 PDT)
- Eric Pettersen (Thu Mar 18 2010 - 16:27:46 PDT)
[AMBER-Developers] major snafu with AmberTools.lyx
- Thomas Cheatham III (Wed Mar 24 2010 - 08:59:12 PDT)
- Mengjuei Hsieh (Tue Mar 23 2010 - 18:02:45 PDT)
- case (Tue Mar 23 2010 - 16:55:56 PDT)
[AMBER-Developers] Makefile suggestions for AMBER and AMBER Tools
- Carlos Simmerling (Wed Mar 03 2010 - 19:32:09 PST)
- case (Wed Mar 03 2010 - 19:20:42 PST)
- Robert Duke (Wed Mar 03 2010 - 19:18:02 PST)
- Robert Duke (Wed Mar 03 2010 - 18:57:50 PST)
- Ross Walker (Wed Mar 03 2010 - 18:46:51 PST)
[AMBER-Developers] malloc error when freeing pointer in CVS ptraj
- case (Tue Mar 16 2010 - 14:35:28 PDT)
- Daniel Roe (Tue Mar 16 2010 - 13:56:16 PDT)
- Ben Roberts (Tue Mar 16 2010 - 13:43:25 PDT)
- Daniel Roe (Tue Mar 16 2010 - 13:19:53 PDT)
- Ben Roberts (Tue Mar 16 2010 - 12:49:20 PDT)
[AMBER-Developers] Minimisation with XMIN: Restart and trajectory files
- Ben Roberts (Sat Mar 20 2010 - 08:15:27 PDT)
- case (Sat Mar 20 2010 - 08:04:58 PDT)
- Ben Roberts (Fri Mar 19 2010 - 08:47:10 PDT)
[AMBER-Developers] MKL in updated configure scripts etc.
- case (Mon Mar 01 2010 - 17:10:40 PST)
- Scott Brozell (Mon Mar 01 2010 - 16:16:38 PST)
- Ross Walker (Mon Mar 01 2010 - 14:32:00 PST)
[AMBER-Developers] mmpbsa tests (perl and python)
- MengJuei Hsieh (Wed Mar 31 2010 - 15:32:43 PDT)
- case (Wed Mar 31 2010 - 04:57:51 PDT)
- MengJuei Hsieh (Tue Mar 30 2010 - 21:54:07 PDT)
- Mengjuei Hsieh (Tue Mar 30 2010 - 15:15:22 PDT)
- Mengjuei Hsieh (Tue Mar 30 2010 - 14:46:35 PDT)
- Mengjuei Hsieh (Tue Mar 30 2010 - 14:41:43 PDT)
- Ray Luo (Tue Mar 30 2010 - 14:19:53 PDT)
- Jason Swails (Tue Mar 30 2010 - 13:45:55 PDT)
- Ray Luo (Tue Mar 30 2010 - 13:07:30 PDT)
- Jason Swails (Tue Mar 30 2010 - 12:43:31 PDT)
- case (Tue Mar 30 2010 - 11:34:49 PDT)
- Jason Swails (Tue Mar 30 2010 - 10:47:28 PDT)
- case (Tue Mar 30 2010 - 10:00:11 PDT)
- Jason Swails (Tue Mar 30 2010 - 09:02:36 PDT)
- Mengjuei Hsieh (Mon Mar 29 2010 - 17:57:03 PDT)
- Jason Swails (Mon Mar 29 2010 - 16:13:49 PDT)
- Mengjuei Hsieh (Mon Mar 29 2010 - 14:06:30 PDT)
- Jason Swails (Mon Mar 29 2010 - 13:46:33 PDT)
- case (Mon Mar 29 2010 - 12:29:20 PDT)
- Jason Swails (Mon Mar 29 2010 - 12:07:54 PDT)
- case (Mon Mar 29 2010 - 11:17:22 PDT)
- Jason Swails (Mon Mar 29 2010 - 09:12:24 PDT)
- case (Mon Mar 29 2010 - 08:56:42 PDT)
[AMBER-Developers] MMPBSA_PY compilation depends on python, not checked for in configuration
- case (Tue Mar 09 2010 - 13:37:45 PST)
- Thorsten M Woelfle (Tue Mar 09 2010 - 12:57:15 PST)
- Gustavo Seabra (Tue Mar 09 2010 - 12:45:56 PST)
- Daniel Roe (Tue Mar 09 2010 - 10:00:01 PST)
[AMBER-Developers] more on mmpbsa_py test failures
- Mengjuei Hsieh (Tue Mar 30 2010 - 17:08:06 PDT)
- case (Mon Mar 29 2010 - 12:26:19 PDT)
[AMBER-Developers] more on pme_setup problem
- Robert Duke (Wed Mar 10 2010 - 09:43:44 PST)
- Ross Walker (Wed Mar 10 2010 - 09:28:48 PST)
- Lachele Foley (Wed Mar 10 2010 - 09:15:08 PST)
- Ross Walker (Wed Mar 10 2010 - 08:48:14 PST)
- case (Wed Mar 10 2010 - 08:12:47 PST)
[AMBER-Developers] more on ptraj compilation with Intel
- Daniel Roe (Fri Mar 05 2010 - 06:33:37 PST)
- Scott Brozell (Thu Mar 04 2010 - 20:32:37 PST)
- case (Thu Mar 04 2010 - 20:16:56 PST)
- Scott Brozell (Thu Mar 04 2010 - 19:50:56 PST)
- case (Thu Mar 04 2010 - 19:09:15 PST)
- Scott Brozell (Thu Mar 04 2010 - 17:02:49 PST)
- Scott Brozell (Thu Mar 04 2010 - 16:05:37 PST)
- case (Thu Mar 04 2010 - 14:25:30 PST)
[AMBER-Developers] more on the MKL/fftw2 wrapper problems
- Volodymyr Babin (Wed Mar 17 2010 - 08:57:16 PDT)
- case (Wed Mar 17 2010 - 08:47:47 PDT)
- Tyler Luchko (Wed Mar 17 2010 - 08:42:01 PDT)
- Volodymyr Babin (Wed Mar 17 2010 - 08:26:40 PDT)
- case (Wed Mar 17 2010 - 08:16:40 PDT)
[AMBER-Developers] NAB tests
- Ben Roberts (Tue Mar 02 2010 - 06:03:47 PST)
- Ben Roberts (Mon Mar 01 2010 - 21:07:50 PST)
- case (Mon Mar 01 2010 - 18:18:37 PST)
- Ben Roberts (Mon Mar 01 2010 - 13:10:50 PST)
- case (Mon Mar 01 2010 - 12:53:23 PST)
- Ben Roberts (Mon Mar 01 2010 - 11:53:27 PST)
[AMBER-Developers] namelist
- Adrian Roitberg (Thu Mar 18 2010 - 06:53:07 PDT)
- Volodymyr Babin (Thu Mar 18 2010 - 06:51:02 PDT)
- Scott Brozell (Wed Mar 17 2010 - 20:50:07 PDT)
- Scott Brozell (Wed Mar 17 2010 - 20:36:55 PDT)
- Volodymyr Babin (Wed Mar 17 2010 - 20:17:55 PDT)
- Robert Duke (Wed Mar 17 2010 - 20:08:36 PDT)
- Scott Brozell (Wed Mar 17 2010 - 19:45:52 PDT)
- Volodymyr Babin (Wed Mar 17 2010 - 16:45:40 PDT)
- Carlos Simmerling (Wed Mar 17 2010 - 15:20:15 PDT)
- case (Wed Mar 17 2010 - 15:09:34 PDT)
- Robert Duke (Wed Mar 17 2010 - 14:54:27 PDT)
- Carlos Simmerling (Wed Mar 17 2010 - 14:09:10 PDT)
[AMBER-Developers] New CVS restrictions
- case (Tue Mar 09 2010 - 05:26:16 PST)
[AMBER-Developers] Other CASE issues...
- Ross Walker (Tue Mar 02 2010 - 14:02:30 PST)
[AMBER-Developers] parallel compile error
- case (Fri Mar 26 2010 - 11:32:56 PDT)
- Jason Swails (Fri Mar 26 2010 - 10:57:40 PDT)
- InSuk Joung (Fri Mar 26 2010 - 10:40:59 PDT)
[AMBER-Developers] Parallel RISM on Cygwin
- Daniel Roe (Mon Mar 29 2010 - 18:44:27 PDT)
- case (Mon Mar 29 2010 - 18:33:26 PDT)
- Daniel Roe (Mon Mar 29 2010 - 18:13:33 PDT)
- Tyler Luchko (Fri Mar 26 2010 - 12:34:18 PDT)
- case (Fri Mar 26 2010 - 08:27:41 PDT)
- Gustavo Seabra (Fri Mar 26 2010 - 07:58:26 PDT)
- Daniel Roe (Fri Mar 26 2010 - 07:25:59 PDT)
[AMBER-Developers] Parallel Test Failures
- Mark Williamson (Sun Mar 21 2010 - 15:05:08 PDT)
- Daniel Roe (Sat Mar 20 2010 - 11:37:27 PDT)
[AMBER-Developers] Patches to make PUPIL work
- case (Mon Mar 29 2010 - 19:03:55 PDT)
- Ben Roberts (Mon Mar 29 2010 - 12:46:56 PDT)
[AMBER-Developers] PMEMD missing type?
- Daniel Roe (Wed Mar 10 2010 - 06:48:08 PST)
- Robert Duke (Wed Mar 10 2010 - 05:47:14 PST)
- Scott Brozell (Tue Mar 09 2010 - 20:47:09 PST)
- Robert Duke (Tue Mar 09 2010 - 13:40:48 PST)
- Ben Roberts (Tue Mar 09 2010 - 13:07:03 PST)
- Ross Walker (Tue Mar 09 2010 - 12:48:31 PST)
- Robert Duke (Tue Mar 09 2010 - 12:38:29 PST)
- Ross Walker (Tue Mar 09 2010 - 12:35:27 PST)
- Robert Duke (Tue Mar 09 2010 - 12:25:20 PST)
- Robert Duke (Tue Mar 09 2010 - 12:23:44 PST)
- Ben Roberts (Tue Mar 09 2010 - 12:19:49 PST)
- Jason Swails (Tue Mar 09 2010 - 11:45:37 PST)
- Ross Walker (Tue Mar 09 2010 - 11:41:53 PST)
- Thorsten M Woelfle (Tue Mar 09 2010 - 11:02:22 PST)
- Ross Walker (Tue Mar 09 2010 - 11:02:02 PST)
- Robert Duke (Tue Mar 09 2010 - 10:55:09 PST)
- Ross Walker (Tue Mar 09 2010 - 10:47:53 PST)
- Daniel Roe (Tue Mar 09 2010 - 10:10:19 PST)
- case (Tue Mar 09 2010 - 10:02:42 PST)
- case (Tue Mar 09 2010 - 09:34:45 PST)
- Ross Walker (Tue Mar 09 2010 - 09:14:20 PST)
- Daniel Roe (Tue Mar 09 2010 - 09:01:55 PST)
- Ross Walker (Fri Mar 05 2010 - 14:29:28 PST)
- Robert Duke (Fri Mar 05 2010 - 12:17:54 PST)
- Ben Roberts (Fri Mar 05 2010 - 11:58:49 PST)
[AMBER-Developers] PMEMD now built by default
- Robert Duke (Wed Mar 03 2010 - 05:56:56 PST)
- Daniel Roe (Wed Mar 03 2010 - 05:41:37 PST)
- case (Wed Mar 03 2010 - 05:40:37 PST)
- Robert Duke (Tue Mar 02 2010 - 18:25:59 PST)
- Gustavo Seabra (Tue Mar 02 2010 - 16:52:08 PST)
- Robert Duke (Tue Mar 02 2010 - 14:41:25 PST)
- Robert Duke (Tue Mar 02 2010 - 14:35:11 PST)
- Ross Walker (Tue Mar 02 2010 - 14:02:30 PST)
- Robert Duke (Tue Mar 02 2010 - 09:53:21 PST)
- Ross Walker (Tue Mar 02 2010 - 09:25:42 PST)
- case (Tue Mar 02 2010 - 06:14:42 PST)
- Robert Duke (Tue Mar 02 2010 - 05:30:26 PST)
- Ross Walker (Mon Mar 01 2010 - 20:41:35 PST)
[AMBER-Developers] pmemd.cuda errors
- Ross Walker (Sat Mar 06 2010 - 09:53:44 PST)
- Jason Swails (Sat Mar 06 2010 - 09:39:50 PST)
- Ross Walker (Sat Mar 06 2010 - 09:26:54 PST)
- Jason Swails (Sat Mar 06 2010 - 07:54:14 PST)
[AMBER-Developers] pmemd.cuda errors (run-time, not compilation)
- Jason Swails (Wed Mar 10 2010 - 09:39:51 PST)
- Ross Walker (Wed Mar 10 2010 - 09:07:56 PST)
- Jason Swails (Wed Mar 10 2010 - 08:54:46 PST)
[AMBER-Developers] potential optimisation problem in qm2_get_qm_forces
- Andreas Goetz (Mon Mar 01 2010 - 13:34:11 PST)
- Ben Roberts (Mon Mar 01 2010 - 13:21:48 PST)
[AMBER-Developers] problems with second, second_, _second_, etc.
- Gustavo Seabra (Mon Mar 01 2010 - 10:12:29 PST)
- case (Mon Mar 01 2010 - 07:51:45 PST)
[AMBER-Developers] proposed timetable for CVS shutdown
- case (Sat Mar 06 2010 - 09:17:11 PST)
[AMBER-Developers] ptraj issue
- case (Mon Mar 29 2010 - 18:58:10 PDT)
- Jason Swails (Mon Mar 29 2010 - 15:16:50 PDT)
- Daniel Roe (Mon Mar 29 2010 - 15:02:25 PDT)
- Jason Swails (Mon Mar 29 2010 - 13:57:35 PDT)
[AMBER-Developers] Quick ptraj doc question - closest vs. closestwater?
- Ben Roberts (Wed Mar 17 2010 - 11:45:35 PDT)
- Thomas Cheatham III (Tue Mar 16 2010 - 15:02:49 PDT)
- Ben Roberts (Tue Mar 16 2010 - 14:55:41 PDT)
[AMBER-Developers] Requirement to build serial before building parallel
- Scott Brozell (Wed Mar 10 2010 - 17:05:34 PST)
- case (Wed Mar 10 2010 - 08:27:01 PST)
- Jason Swails (Wed Mar 10 2010 - 07:58:10 PST)
- Scott Brozell (Tue Mar 09 2010 - 22:24:23 PST)
- Jason Swails (Tue Mar 09 2010 - 15:28:44 PST)
- case (Sat Mar 06 2010 - 12:23:53 PST)
- Ross Walker (Sat Mar 06 2010 - 10:06:15 PST)
- Jason Swails (Sat Mar 06 2010 - 09:27:41 PST)
- case (Sat Mar 06 2010 - 08:57:30 PST)
- Jason Swails (Sat Mar 06 2010 - 07:33:28 PST)
- case (Sat Mar 06 2010 - 06:26:24 PST)
- Ross Walker (Fri Mar 05 2010 - 09:56:27 PST)
[AMBER-Developers] sander arpack undefined reference to second_
- Gustavo Seabra (Mon Mar 01 2010 - 10:29:18 PST)
- Gustavo Seabra (Mon Mar 01 2010 - 10:24:23 PST)
- Ben Roberts (Mon Mar 01 2010 - 10:04:34 PST)
- case (Mon Mar 01 2010 - 07:38:32 PST)
- Jason Swails (Mon Mar 01 2010 - 07:04:52 PST)
- Ben Roberts (Mon Mar 01 2010 - 06:56:12 PST)
[AMBER-Developers] Sander Makefile patch
- Ben Roberts (Wed Mar 10 2010 - 08:56:51 PST)
- case (Tue Mar 09 2010 - 19:23:00 PST)
- Ben Roberts (Tue Mar 09 2010 - 15:28:09 PST)
[AMBER-Developers] sander.APBS broken
- Mark Williamson (Tue Mar 23 2010 - 14:27:42 PDT)
- Jason Swails (Sun Mar 21 2010 - 16:35:01 PDT)
- Jason Swails (Sun Mar 21 2010 - 16:33:00 PDT)
- Jason Swails (Sun Mar 21 2010 - 16:09:52 PDT)
- Mark Williamson (Sun Mar 21 2010 - 15:51:34 PDT)
- Jason Swails (Sun Mar 21 2010 - 11:52:30 PDT)
[AMBER-Developers] sh conformity in configure
- case (Tue Mar 09 2010 - 12:10:29 PST)
- Jason Swails (Tue Mar 09 2010 - 11:56:13 PST)
[AMBER-Developers] sleap problem
- Wei Zhang (Wed Mar 31 2010 - 21:46:44 PDT)
- InSuk Joung (Wed Mar 31 2010 - 16:33:47 PDT)
[AMBER-Developers] slightly obscure parameter combination...
- case (Thu Mar 11 2010 - 05:53:04 PST)
- steinbrt.rci.rutgers.edu (Fri Mar 05 2010 - 06:46:38 PST)
[AMBER-Developers] small dumb bug (and fix)
- Scott Brozell (Thu Mar 11 2010 - 21:22:55 PST)
- Jason Swails (Thu Mar 11 2010 - 20:37:26 PST)
[AMBER-Developers] solution (!?!) to the pme_setup problem?
- Ben Roberts (Thu Mar 11 2010 - 07:19:20 PST)
- Ross Walker (Wed Mar 10 2010 - 09:37:29 PST)
- case (Wed Mar 10 2010 - 09:24:14 PST)
[AMBER-Developers] state.f and debug.f
- Tyler Luchko (Fri Mar 26 2010 - 18:38:35 PDT)
- Mark Williamson (Fri Mar 26 2010 - 17:03:55 PDT)
- Mark Williamson (Fri Mar 26 2010 - 15:15:31 PDT)
- Tyler Luchko (Fri Mar 26 2010 - 14:57:32 PDT)
[AMBER-Developers] Test cases commented out.
- Ross Walker (Wed Mar 24 2010 - 09:59:16 PDT)
[AMBER-Developers] test results on wiki
- Scott Brozell (Fri Mar 26 2010 - 11:15:44 PDT)
- Jason Swails (Fri Mar 26 2010 - 08:17:25 PDT)
- Scott Brozell (Fri Mar 26 2010 - 00:20:24 PDT)
[AMBER-Developers] testing question
- Jason Swails (Thu Mar 18 2010 - 12:17:30 PDT)
- Sally Pias (Thu Mar 18 2010 - 12:05:07 PDT)
[AMBER-Developers] Updates to the ener() array.
- Mark Williamson (Fri Mar 19 2010 - 11:07:42 PDT)
[AMBER-Developers] User of AMBERHOME in AMBER tests
- case (Thu Mar 18 2010 - 16:48:04 PDT)
- Ross Walker (Thu Mar 18 2010 - 14:27:06 PDT)

Amber Developers Archive Mar 2010 by subject