Amber Developers Archive Mar 2012 by thread
148 messages
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Thu Mar 01 2012 - 08:00:03 PST,
Ending
Sat Mar 31 2012 - 20:30:03 PDT
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[AMBER-Developers] [gohlke.uni-duesseldorf.de: Fwd: Re: some questions about current test failures]
David A Case
(Thu Mar 01 2012 - 07:40:35 PST)
Re: [AMBER-Developers] [gohlke.uni-duesseldorf.de: Fwd: Re: some questions about current test failures]
David A Case
(Fri Mar 02 2012 - 05:52:37 PST)
Re: [AMBER-Developers] [gohlke.uni-duesseldorf.de: Fwd: Re: some questions about current test failures]
Scott Brozell
(Fri Mar 02 2012 - 11:36:11 PST)
Re: [AMBER-Developers] [gohlke.uni-duesseldorf.de: Fwd: Re: some questions about current test failures]
Robin Betz
(Fri Mar 02 2012 - 12:06:48 PST)
Re: [AMBER-Developers] [gohlke.uni-duesseldorf.de: Fwd: Re: some questions about current test failures]
Scott Brozell
(Fri Mar 02 2012 - 12:40:00 PST)
Re: [AMBER-Developers] [gohlke.uni-duesseldorf.de: Fwd: Re: some questions about current test failures]
Holger Gohlke
(Sat Mar 03 2012 - 14:19:15 PST)
Re: [AMBER-Developers] [gohlke.uni-duesseldorf.de: Fwd: Re: some questions about current test failures]
case
(Sat Mar 03 2012 - 14:53:36 PST)
Re: [AMBER-Developers] [gohlke.uni-duesseldorf.de: Fwd: Re: some questions about current test failures]
Holger Gohlke
(Sat Mar 03 2012 - 15:35:06 PST)
Re: [AMBER-Developers] [gohlke.uni-duesseldorf.de: Fwd: Re: some questions about current test failures]
case
(Sat Mar 03 2012 - 17:02:51 PST)
Re: [AMBER-Developers] [gohlke.uni-duesseldorf.de: Fwd: Re: some questions about current test failures]
Holger Gohlke
(Sun Mar 04 2012 - 02:59:59 PST)
Re: [AMBER-Developers] [gohlke.uni-duesseldorf.de: Fwd: Re: some questions about current test failures]
Holger Gohlke
(Sun Mar 04 2012 - 03:09:13 PST)
Re: [AMBER-Developers] [gohlke.uni-duesseldorf.de: Fwd: Re: some questions about current test failures]
case
(Sun Mar 04 2012 - 06:20:56 PST)
Re: [AMBER-Developers] [gohlke.uni-duesseldorf.de: Fwd: Re: some questions about current test failures]
Holger Gohlke
(Mon Mar 05 2012 - 09:11:20 PST)
Re: [AMBER-Developers] [gohlke.uni-duesseldorf.de: Fwd: Re: some questions about current test failures]
Scott Brozell
(Mon Mar 05 2012 - 11:18:24 PST)
Re: [AMBER-Developers] [gohlke.uni-duesseldorf.de: Fwd: Re: some questions about current test failures]
Qin Cai
(Mon Mar 05 2012 - 13:03:55 PST)
Re: [AMBER-Developers] [gohlke.uni-duesseldorf.de: Fwd: Re: some questions about current test failures]
David A Case
(Mon Mar 05 2012 - 13:42:19 PST)
Re: [AMBER-Developers] [gohlke.uni-duesseldorf.de: Fwd: Re: some questions about current test failures]
Qin Cai
(Mon Mar 05 2012 - 14:49:00 PST)
Re: [AMBER-Developers] [gohlke.uni-duesseldorf.de: Fwd: Re: some questions about current test failures]
Qin Cai
(Sun Mar 04 2012 - 17:49:27 PST)
[AMBER-Developers] EP Question
B. Lachele Foley
(Thu Mar 01 2012 - 09:28:20 PST)
Re: [AMBER-Developers] EP Question
David A Case
(Thu Mar 01 2012 - 10:19:08 PST)
Re: [AMBER-Developers] EP Question
B. Lachele Foley
(Thu Mar 01 2012 - 10:55:27 PST)
Re: [AMBER-Developers] EP Question
Jason Swails
(Thu Mar 01 2012 - 10:24:03 PST)
Re: [AMBER-Developers] EP Question
B. Lachele Foley
(Thu Mar 01 2012 - 10:56:51 PST)
[AMBER-Developers] Final push towards Amber12
David A Case
(Thu Mar 01 2012 - 10:27:59 PST)
[AMBER-Developers] git repo closed?
steinbrt.rci.rutgers.edu
(Mon Mar 05 2012 - 10:52:58 PST)
Re: [AMBER-Developers] git repo closed?
Ross Walker
(Mon Mar 05 2012 - 11:00:42 PST)
Re: [AMBER-Developers] [AMBER] Alkali and Halide Monovalent Ion : paper
B. Lachele Foley
(Tue Mar 06 2012 - 13:32:09 PST)
[AMBER-Developers] pmemd.cuda.mpi compile fails with openmpi but not mvapich2
steinbrt.rci.rutgers.edu
(Wed Mar 07 2012 - 02:34:15 PST)
Re: [AMBER-Developers] pmemd.cuda.mpi compile fails with openmpi but not mvapich2
Jason Swails
(Wed Mar 07 2012 - 08:47:33 PST)
Re: [AMBER-Developers] pmemd.cuda.mpi compile fails with openmpi but not mvapich2
David A Case
(Wed Mar 07 2012 - 11:54:09 PST)
[AMBER-Developers] getting ready for the release
David A Case
(Thu Mar 08 2012 - 05:38:10 PST)
[AMBER-Developers] Alignment of paragraphs in PDF
Qin Cai
(Thu Mar 08 2012 - 12:36:42 PST)
Re: [AMBER-Developers] Alignment of paragraphs in PDF
David A Case
(Thu Mar 08 2012 - 13:30:53 PST)
Re: [AMBER-Developers] Alignment of paragraphs in PDF
Qin Cai
(Thu Mar 08 2012 - 14:37:53 PST)
Re: [AMBER-Developers] Alignment of paragraphs in PDF
case
(Thu Mar 08 2012 - 16:44:58 PST)
[AMBER-Developers] Ubuntu and MPI home directory
Scott Le Grand
(Fri Mar 09 2012 - 07:32:30 PST)
Re: [AMBER-Developers] Ubuntu and MPI home directory
Jason Swails
(Fri Mar 09 2012 - 08:11:58 PST)
[AMBER-Developers] Amber12, release candidate 1
David A. Case
(Fri Mar 09 2012 - 19:04:07 PST)
Re: [AMBER-Developers] Amber12, release candidate 1
Jason Swails
(Fri Mar 09 2012 - 21:50:49 PST)
Re: [AMBER-Developers] Amber12, release candidate 1
Ross Walker
(Fri Mar 09 2012 - 21:55:28 PST)
Re: [AMBER-Developers] Amber12, release candidate 1
Jason Swails
(Fri Mar 09 2012 - 21:56:50 PST)
Re: [AMBER-Developers] Amber12, release candidate 1
Holger Gohlke
(Sat Mar 10 2012 - 09:09:44 PST)
[AMBER-Developers] little problem with last antechamber commit
Romelia Salomon
(Thu Mar 15 2012 - 14:17:50 PDT)
Re: [AMBER-Developers] little problem with last antechamber commit
David A Case
(Fri Mar 16 2012 - 04:38:51 PDT)
[AMBER-Developers] Builds of AMBER 12 with gcc 4.1.2 failing
Ross Walker
(Fri Mar 16 2012 - 16:24:07 PDT)
Re: [AMBER-Developers] Builds of AMBER 12 with gcc 4.1.2 failing
B. Lachele Foley
(Fri Mar 16 2012 - 16:53:34 PDT)
Re: [AMBER-Developers] Builds of AMBER 12 with gcc 4.1.2 failing
Ross Walker
(Fri Mar 16 2012 - 16:57:44 PDT)
Re: [AMBER-Developers] Builds of AMBER 12 with gcc 4.1.2 failing
B. Lachele Foley
(Fri Mar 16 2012 - 17:06:37 PDT)
Re: [AMBER-Developers] Builds of AMBER 12 with gcc 4.1.2 failing
Ross Walker
(Fri Mar 16 2012 - 17:14:05 PDT)
Re: [AMBER-Developers] Builds of AMBER 12 with gcc 4.1.2 failing
Ross Walker
(Fri Mar 16 2012 - 17:08:02 PDT)
Re: [AMBER-Developers] Builds of AMBER 12 with gcc 4.1.2 failing
B. Lachele Foley
(Fri Mar 16 2012 - 17:08:57 PDT)
Re: [AMBER-Developers] Builds of AMBER 12 with gcc 4.1.2 failing
Ross Walker
(Fri Mar 16 2012 - 17:12:09 PDT)
Re: [AMBER-Developers] Builds of AMBER 12 with gcc 4.1.2 failing
B. Lachele Foley
(Fri Mar 16 2012 - 17:18:00 PDT)
Re: [AMBER-Developers] Builds of AMBER 12 with gcc 4.1.2 failing
Ross Walker
(Fri Mar 16 2012 - 17:48:58 PDT)
Re: [AMBER-Developers] Builds of AMBER 12 with gcc 4.1.2 failing
B. Lachele Foley
(Fri Mar 16 2012 - 18:09:04 PDT)
Re: [AMBER-Developers] Builds of AMBER 12 with gcc 4.1.2 failing
Tyler Luchko
(Fri Mar 16 2012 - 17:21:03 PDT)
Re: [AMBER-Developers] Builds of AMBER 12 with gcc 4.1.2 failing
Ross Walker
(Fri Mar 16 2012 - 17:57:28 PDT)
Re: [AMBER-Developers] Builds of AMBER 12 with gcc 4.1.2 failing
Tyler Luchko
(Fri Mar 16 2012 - 18:27:46 PDT)
Re: [AMBER-Developers] Builds of AMBER 12 with gcc 4.1.2 failing
Romelia Salomon
(Fri Mar 16 2012 - 18:40:48 PDT)
Re: [AMBER-Developers] Builds of AMBER 12 with intel 10
case
(Fri Mar 16 2012 - 20:52:18 PDT)
Re: [AMBER-Developers] Builds of AMBER 12 with intel 10
Tyler Luchko
(Sat Mar 17 2012 - 09:06:18 PDT)
Re: [AMBER-Developers] Builds of AMBER 12 with gcc 4.1.2 failing
case
(Fri Mar 16 2012 - 19:22:26 PDT)
Re: [AMBER-Developers] Builds of AMBER 12 with gcc 4.1.2 failing
Ross Walker
(Fri Mar 16 2012 - 21:26:35 PDT)
Re: [AMBER-Developers] Builds of AMBER 12 with gcc 4.1.2 failing
Tyler Luchko
(Sat Mar 17 2012 - 09:06:07 PDT)
Re: [AMBER-Developers] Builds of AMBER 12 with gcc 4.1.2 failing
Tyler Luchko
(Sat Mar 17 2012 - 13:54:33 PDT)
Re: [AMBER-Developers] Builds of AMBER 12 with gcc 4.1.2 failing
case
(Sat Mar 17 2012 - 19:26:59 PDT)
Re: [AMBER-Developers] Builds of AMBER 12 with gcc 4.1.2 failing
case
(Fri Mar 16 2012 - 18:58:29 PDT)
Re: [AMBER-Developers] Builds of AMBER 12 with gcc 4.1.2 failing
Scott Brozell
(Fri Mar 16 2012 - 20:02:43 PDT)
[AMBER-Developers] paramfit test files
case
(Sat Mar 17 2012 - 08:49:54 PDT)
[AMBER-Developers] SSE-based compile flags for intel
case
(Sun Mar 18 2012 - 05:50:58 PDT)
Re: [AMBER-Developers] SSE-based compile flags for intel
Ross Walker
(Sun Mar 18 2012 - 10:00:18 PDT)
Re: [AMBER-Developers] SSE-based compile flags for intel
Scott Brozell
(Sun Mar 18 2012 - 14:31:48 PDT)
Re: [AMBER-Developers] SSE-based compile flags for intel
Ross Walker
(Sun Mar 18 2012 - 18:39:42 PDT)
Re: [AMBER-Developers] SSE-based compile flags for intel
Scott Brozell
(Sun Mar 18 2012 - 20:42:03 PDT)
Re: [AMBER-Developers] SSE-based compile flags for intel
David A Case
(Tue Mar 20 2012 - 05:24:35 PDT)
Re: [AMBER-Developers] SSE-based compile flags for intel
Scott Brozell
(Tue Mar 20 2012 - 12:23:52 PDT)
[AMBER-Developers] leap's impose behavior changed in past month
B. Lachele Foley
(Mon Mar 19 2012 - 18:08:53 PDT)
Re: [AMBER-Developers] leap's impose behavior changed in past month
B. Lachele Foley
(Mon Mar 19 2012 - 18:19:30 PDT)
Re: [AMBER-Developers] leap's impose behavior changed in past month
B. Lachele Foley
(Mon Mar 19 2012 - 20:41:29 PDT)
Re: [AMBER-Developers] leap's impose behavior changed in past month
Scott Brozell
(Tue Mar 20 2012 - 01:15:22 PDT)
Re: [AMBER-Developers] leap's impose behavior changed in past month
B. Lachele Foley
(Tue Mar 20 2012 - 06:32:07 PDT)
Re: [AMBER-Developers] leap's impose behavior changed in past month
case
(Mon Mar 19 2012 - 19:34:33 PDT)
Re: [AMBER-Developers] leap's impose behavior changed in past month
B. Lachele Foley
(Mon Mar 19 2012 - 20:27:41 PDT)
[AMBER-Developers] impose, ff12 and glycam tests
B. Lachele Foley
(Tue Mar 20 2012 - 11:18:19 PDT)
Re: [AMBER-Developers] impose, ff12 and glycam tests
David A Case
(Tue Mar 20 2012 - 12:57:24 PDT)
Re: [AMBER-Developers] impose, ff12 and glycam tests
B. Lachele Foley
(Tue Mar 20 2012 - 13:22:25 PDT)
Re: [AMBER-Developers] impose, ff12 and glycam tests
case
(Tue Mar 20 2012 - 15:09:23 PDT)
Re: [AMBER-Developers] impose, ff12 and glycam tests
B. Lachele Foley
(Tue Mar 20 2012 - 15:44:22 PDT)
[AMBER-Developers] clean include
Scott Brozell
(Tue Mar 20 2012 - 12:37:16 PDT)
Re: [AMBER-Developers] clean include
Jason Swails
(Tue Mar 20 2012 - 15:53:45 PDT)
Re: [AMBER-Developers] clean include
James Maier
(Tue Mar 20 2012 - 16:05:35 PDT)
Re: [AMBER-Developers] clean include
case
(Tue Mar 20 2012 - 17:32:25 PDT)
Re: [AMBER-Developers] clean include
Scott Brozell
(Tue Mar 20 2012 - 18:52:44 PDT)
[AMBER-Developers] Anyone know how to add cmap corrections to amber force fields?
David A Case
(Wed Mar 21 2012 - 05:42:50 PDT)
[AMBER-Developers] Amber12 release candidate 2
David A Case
(Wed Mar 21 2012 - 06:49:42 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2
Wu, Xiongwu (NIH/NHLBI) [E]
(Wed Mar 21 2012 - 09:20:11 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2
David A Case
(Wed Mar 21 2012 - 11:41:34 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2
Wu, Xiongwu (NIH/NHLBI) [E]
(Wed Mar 21 2012 - 12:30:37 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2
Ben Roberts
(Wed Mar 21 2012 - 13:06:50 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2
Wu, Xiongwu (NIH/NHLBI) [E]
(Wed Mar 21 2012 - 13:19:12 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2
Daniel Roe
(Wed Mar 21 2012 - 13:29:45 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2
Daniel Roe
(Wed Mar 21 2012 - 13:34:45 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2
Ben Roberts
(Wed Mar 21 2012 - 13:35:00 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2
Daniel Roe
(Wed Mar 21 2012 - 13:39:04 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2
Jason Swails
(Wed Mar 21 2012 - 13:46:36 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2
Daniel Roe
(Wed Mar 21 2012 - 14:02:26 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2
Ben Roberts
(Wed Mar 21 2012 - 14:09:25 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2
Lin Fu
(Wed Mar 21 2012 - 18:19:51 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2
Martin Peters
(Thu Mar 22 2012 - 02:26:54 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2
Lin Fu
(Thu Mar 22 2012 - 08:23:06 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2
Lin Fu
(Thu Mar 22 2012 - 12:08:57 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2
case
(Wed Mar 21 2012 - 18:15:43 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2
Qin Cai
(Thu Mar 22 2012 - 11:25:14 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2
B. Lachele Foley
(Thu Mar 22 2012 - 11:54:12 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2
David A Case
(Thu Mar 22 2012 - 13:27:58 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2
Daniel Roe
(Thu Mar 22 2012 - 13:09:59 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2
Qin Cai
(Thu Mar 22 2012 - 15:43:52 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2
David A Case
(Thu Mar 22 2012 - 13:11:48 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2: rism hang
Scott Brozell
(Fri Mar 23 2012 - 12:27:02 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2: rism hang
B. Lachele Foley
(Fri Mar 23 2012 - 12:33:25 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2: rism hang
David A Case
(Fri Mar 23 2012 - 12:43:31 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2: rism hang
David A Case
(Fri Mar 23 2012 - 12:44:47 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2: rism hang
Scott Brozell
(Fri Mar 23 2012 - 13:28:26 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2: rism hang
Scott Brozell
(Mon Mar 26 2012 - 00:37:35 PDT)
[AMBER-Developers] Successful Compile and install and testin on 2010 MacBook Pro
wmsmith.uci.edu
(Mon Mar 26 2012 - 10:25:02 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2: rism hang
Scott Brozell
(Tue Mar 27 2012 - 14:16:16 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2: rism hang
David A. Case
(Tue Mar 27 2012 - 17:55:42 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2: rism hang
Scott Brozell
(Fri Mar 30 2012 - 01:53:19 PDT)
[AMBER-Developers] Patch for paramfit under cygwin
Daniel Roe
(Wed Mar 21 2012 - 15:00:03 PDT)
[AMBER-Developers] Amber12 release candidate 2
B. Lachele Foley
(Thu Mar 22 2012 - 11:17:22 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2
David A Case
(Thu Mar 22 2012 - 13:10:05 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2
Jason Swails
(Thu Mar 22 2012 - 14:35:35 PDT)
Re: [AMBER-Developers] Amber12 release candidate 2
David A Case
(Fri Mar 23 2012 - 05:00:14 PDT)
[AMBER-Developers] Release Candidate: PBSA issues on Cygwin
Daniel Roe
(Fri Mar 23 2012 - 09:37:47 PDT)
Re: [AMBER-Developers] Release Candidate: PBSA issues on Cygwin
Ray Luo, Ph.D.
(Fri Mar 23 2012 - 10:24:41 PDT)
Re: [AMBER-Developers] Release Candidate: PBSA issues on Cygwin
David A Case
(Fri Mar 23 2012 - 11:05:43 PDT)
Re: [AMBER-Developers] Release Candidate: PBSA issues on Cygwin
Xingping Liu
(Tue Mar 27 2012 - 18:00:59 PDT)
Re: [AMBER-Developers] Release Candidate: PBSA issues on Cygwin
Ray Luo, Ph.D.
(Tue Mar 27 2012 - 19:28:07 PDT)
Re: [AMBER-Developers] Release Candidate: PBSA issues on Cygwin
David A. Case
(Wed Mar 28 2012 - 07:42:46 PDT)
Re: [AMBER-Developers] Release Candidate: PBSA issues on Cygwin
Jason Swails
(Wed Mar 28 2012 - 07:52:44 PDT)
Re: [AMBER-Developers] Release Candidate: PBSA issues on Cygwin
Daniel Roe
(Wed Mar 28 2012 - 09:11:33 PDT)
Re: [AMBER-Developers] Release Candidate: PBSA issues on Cygwin
Qin Cai
(Wed Mar 28 2012 - 18:12:11 PDT)
[AMBER-Developers] Fwd: [AMBER] Error Compiling pmemd.cuda.MPI (i.e. Multiple GPUs)
Jason Swails
(Sun Mar 25 2012 - 08:43:05 PDT)
[AMBER-Developers] Third (final?) release candidate for Amber 12
David A Case
(Thu Mar 29 2012 - 20:28:28 PDT)
Re: [AMBER-Developers] Third (final?) release candidate for Amber 12
steinbrt.rci.rutgers.edu
(Fri Mar 30 2012 - 08:15:30 PDT)
Re: [AMBER-Developers] Third (final?) release candidate for Amber 12
David A Case
(Fri Mar 30 2012 - 09:14:52 PDT)
Re: [AMBER-Developers] Third (final?) release candidate for Amber 12
Duke, Robert E Jr
(Fri Mar 30 2012 - 09:59:17 PDT)
Re: [AMBER-Developers] Third (final?) release candidate for Amber 12
Wu, Xiongwu (NIH/NHLBI) [E]
(Sat Mar 31 2012 - 19:59:48 PDT)
Last message date
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Sat Mar 31 2012 - 20:30:03 PDT
Archived on
: Sun Dec 22 2024 - 05:02:39 PST
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