Amber Developers Archive Mar 2011 by thread
122 messages
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Starting
Tue Mar 01 2011 - 14:00:02 PST,
Ending
Thu Mar 31 2011 - 12:30:03 PDT
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Re: [AMBER-Developers] XMIN minimisation and coordinates
Ben Roberts
(Tue Mar 01 2011 - 13:40:46 PST)
Re: [AMBER-Developers] XMIN minimisation and coordinates
istvan.kolossvary.hu
(Tue Mar 01 2011 - 20:47:25 PST)
Re: [AMBER-Developers] XMIN minimisation and coordinates
Ben Roberts
(Tue Mar 01 2011 - 20:58:46 PST)
Re: [AMBER-Developers] XMIN minimisation and coordinates
istvan.kolossvary.hu
(Tue Mar 01 2011 - 21:21:31 PST)
Re: [AMBER-Developers] XMIN minimisation and coordinates
Ben Roberts
(Tue Mar 08 2011 - 13:45:55 PST)
Re: [AMBER-Developers] MPI_HOME
Scott Brozell
(Tue Mar 01 2011 - 23:41:23 PST)
Re: [AMBER-Developers] MPI_HOME
Jason Swails
(Wed Mar 02 2011 - 05:09:15 PST)
Re: [AMBER-Developers] MPI_HOME
Scott Brozell
(Thu Mar 03 2011 - 20:29:02 PST)
Re: [AMBER-Developers] MPI_HOME
Mengjuei Hsieh
(Sat Mar 05 2011 - 06:53:18 PST)
[AMBER-Developers] First release candidate for AmberTools 1.5
case
(Fri Mar 04 2011 - 04:34:51 PST)
Re: [AMBER-Developers] First release candidate for AmberTools 1.5
Jason Swails
(Fri Mar 04 2011 - 04:45:28 PST)
[AMBER-Developers] LyX problem: courier.sty
Mengjuei Hsieh
(Mon Mar 07 2011 - 18:59:35 PST)
Re: [AMBER-Developers] LyX problem: courier.sty
B. Lachele Foley
(Mon Mar 07 2011 - 19:11:35 PST)
Re: [AMBER-Developers] LyX problem: courier.sty
David Case
(Mon Mar 07 2011 - 20:30:21 PST)
Re: [AMBER-Developers] LyX problem: courier.sty
B. Lachele Foley
(Tue Mar 08 2011 - 06:37:09 PST)
Re: [AMBER-Developers] LyX problem: courier.sty
Mengjuei Hsieh
(Tue Mar 08 2011 - 01:01:47 PST)
Re: [AMBER-Developers] LyX problem: courier.sty
David Case
(Mon Mar 07 2011 - 20:24:57 PST)
Re: [AMBER-Developers] LyX problem: courier.sty
Mengjuei Hsieh
(Mon Mar 07 2011 - 23:33:25 PST)
[AMBER-Developers] Tzy-hwa K Tzeng is out of the office.
Tzy-hwa K Tzeng
(Tue Mar 08 2011 - 01:07:58 PST)
[AMBER-Developers] problems with latest cuda
David A Case
(Wed Mar 09 2011 - 07:32:35 PST)
Re: [AMBER-Developers] problems with latest cuda
Scott Le Grand
(Fri Mar 11 2011 - 06:08:02 PST)
Re: [AMBER-Developers] problems with latest cuda
Scott Le Grand
(Fri Mar 25 2011 - 09:00:39 PDT)
Re: [AMBER-Developers] problems with latest cuda
David A Case
(Thu Mar 31 2011 - 08:12:57 PDT)
Re: [AMBER-Developers] problems with latest cuda
Scott Le Grand
(Thu Mar 31 2011 - 09:41:46 PDT)
[AMBER-Developers] force field help needed
David A Case
(Wed Mar 09 2011 - 08:06:11 PST)
[AMBER-Developers] Dihedral Force Constants
B. Lachele Foley
(Wed Mar 09 2011 - 12:36:33 PST)
Re: [AMBER-Developers] Dihedral Force Constants
Ross Walker
(Wed Mar 09 2011 - 15:55:35 PST)
Re: [AMBER-Developers] Dihedral Force Constants
B. Lachele Foley
(Wed Mar 09 2011 - 17:20:43 PST)
Re: [AMBER-Developers] Dihedral Force Constants
B. Lachele Foley
(Wed Mar 09 2011 - 17:22:32 PST)
[AMBER-Developers] Amber paper citations
Carlos Simmerling
(Wed Mar 09 2011 - 15:37:55 PST)
Re: [AMBER-Developers] Amber paper citations
Ray Luo, Ph.D.
(Wed Mar 09 2011 - 20:18:25 PST)
Re: [AMBER-Developers] netcdf restart files
Daniel Roe
(Wed Mar 09 2011 - 17:21:39 PST)
[AMBER-Developers] amber11-with-patches
Jason Swails
(Wed Mar 09 2011 - 20:06:23 PST)
Re: [AMBER-Developers] amber11-with-patches
Mark Williamson
(Thu Mar 10 2011 - 10:19:10 PST)
Re: [AMBER-Developers] amber11-with-patches
Jason Swails
(Thu Mar 10 2011 - 10:31:51 PST)
Re: [AMBER-Developers] amber11-with-patches
David A Case
(Thu Mar 10 2011 - 10:52:51 PST)
[AMBER-Developers] Quick Netcdf Restart update
Daniel Roe
(Wed Mar 09 2011 - 20:06:57 PST)
[AMBER-Developers] sqm and AmberTools 1.5
David A Case
(Thu Mar 10 2011 - 08:00:05 PST)
Re: [AMBER-Developers] sqm and AmberTools 1.5
Jason Swails
(Thu Mar 10 2011 - 09:31:30 PST)
Re: [AMBER-Developers] sqm and AmberTools 1.5
Gustavo Seabra
(Thu Mar 10 2011 - 10:45:25 PST)
Re: [AMBER-Developers] sqm and AmberTools 1.5
David A Case
(Thu Mar 10 2011 - 11:32:54 PST)
Re: [AMBER-Developers] sqm and AmberTools 1.5
Jason Swails
(Thu Mar 10 2011 - 13:35:44 PST)
Re: [AMBER-Developers] sqm and AmberTools 1.5
Andreas Goetz
(Thu Mar 10 2011 - 14:07:50 PST)
Re: [AMBER-Developers] sqm and AmberTools 1.5
David Case
(Thu Mar 10 2011 - 14:44:06 PST)
Re: [AMBER-Developers] sqm and AmberTools 1.5
Jason Swails
(Thu Mar 10 2011 - 14:50:06 PST)
Re: [AMBER-Developers] sqm and AmberTools 1.5
David A Case
(Fri Mar 11 2011 - 04:34:48 PST)
[AMBER-Developers] new git branch; reopening SDSC repository
David A Case
(Thu Mar 10 2011 - 09:36:13 PST)
[AMBER-Developers] bugfixes to NPRO in ff03 for at14 and a11
Mengjuei Hsieh
(Thu Mar 10 2011 - 12:08:53 PST)
Re: [AMBER-Developers] bugfixes to NPRO in ff03 for at14 and a11
Jason Swails
(Thu Mar 10 2011 - 15:12:52 PST)
Re: [AMBER-Developers] bugfixes to NPRO in ff03 for at14 and a11
Mengjuei Hsieh
(Thu Mar 10 2011 - 16:37:19 PST)
Re: [AMBER-Developers] bugfixes to NPRO in ff03 for at14 and a11
Jason Swails
(Thu Mar 10 2011 - 16:58:53 PST)
Re: [AMBER-Developers] bugfixes to NPRO in ff03 for at14 and a11
Mengjuei Hsieh
(Thu Mar 10 2011 - 17:38:53 PST)
[AMBER-Developers] sander.RISM.MPI compiling error
Bill Miller III
(Fri Mar 11 2011 - 10:23:45 PST)
Re: [AMBER-Developers] sander.RISM.MPI compiling error
Tyler Luchko
(Fri Mar 11 2011 - 13:24:14 PST)
[AMBER-Developers] Fwd: [AMBER] how to obtain 4x4x1.1nm water; how to add polarizable models
Daniel Roe
(Mon Mar 14 2011 - 06:01:14 PDT)
Re: [AMBER-Developers] Fwd: [AMBER] how to obtain 4x4x1.1nm water; how to add polarizable models
Gustavo Seabra
(Mon Mar 14 2011 - 06:17:02 PDT)
[AMBER-Developers] bugs in ptraj/transformSecondaryStruct and transformWatershell
Hannes Loeffler
(Mon Mar 14 2011 - 08:44:20 PDT)
[AMBER-Developers] chamber updates
David A Case
(Mon Mar 14 2011 - 10:28:51 PDT)
[AMBER-Developers] Second release candidate for AmberTools 1.5
David A Case
(Mon Mar 14 2011 - 12:03:51 PDT)
Re: [AMBER-Developers] Second release candidate for AmberTools 1.5
Jason Swails
(Mon Mar 14 2011 - 12:38:51 PDT)
Re: [AMBER-Developers] Second release candidate for AmberTools 1.5
Lin Fu
(Tue Mar 15 2011 - 16:42:59 PDT)
Re: [AMBER-Developers] Second release candidate for AmberTools 1.5
Jason Swails
(Tue Mar 15 2011 - 17:00:24 PDT)
Re: [AMBER-Developers] Second release candidate for AmberTools 1.5
case
(Tue Mar 15 2011 - 17:43:51 PDT)
Re: [AMBER-Developers] Second release candidate for AmberTools 1.5
Lin Fu
(Wed Mar 16 2011 - 10:39:35 PDT)
Re: [AMBER-Developers] Second release candidate for AmberTools 1.5
Jason Swails
(Wed Mar 16 2011 - 11:00:22 PDT)
Re: [AMBER-Developers] Second release candidate for AmberTools 1.5
Lin Fu
(Wed Mar 16 2011 - 11:31:01 PDT)
Re: [AMBER-Developers] Second release candidate for AmberTools 1.5
Jason Swails
(Wed Mar 16 2011 - 13:46:40 PDT)
Re: [AMBER-Developers] Second release candidate for AmberTools 1.5
Lin Fu
(Wed Mar 16 2011 - 16:11:56 PDT)
Re: [AMBER-Developers] Second release candidate for AmberTools 1.5
Jason Swails
(Wed Mar 16 2011 - 16:16:43 PDT)
Re: [AMBER-Developers] Second release candidate for AmberTools 1.5
Lin Fu
(Wed Mar 16 2011 - 23:31:45 PDT)
Re: [AMBER-Developers] Second release candidate for AmberTools 1.5
Ben Roberts
(Thu Mar 17 2011 - 07:34:23 PDT)
Re: [AMBER-Developers] Second release candidate for AmberTools 1.5
Lin Fu
(Thu Mar 17 2011 - 10:40:16 PDT)
Re: [AMBER-Developers] Second release candidate for AmberTools 1.5
Jason Swails
(Thu Mar 17 2011 - 13:09:19 PDT)
Re: [AMBER-Developers] Second release candidate for AmberTools 1.5
Lin Fu
(Sat Mar 19 2011 - 01:19:37 PDT)
Re: [AMBER-Developers] CCL: Chemical Computing Group Announces Winners of the CCG Excellence Award
case
(Fri Mar 18 2011 - 14:22:50 PDT)
Re: [AMBER-Developers] CCL: Chemical Computing Group Announces Winners of the CCG Excellence Award
Carlos Simmerling
(Fri Mar 18 2011 - 14:51:18 PDT)
Re: [AMBER-Developers] CCL: Chemical Computing Group Announces Winners of the CCG Excellence Award
Ramu Anandakrishnan
(Mon Mar 21 2011 - 13:15:49 PDT)
[AMBER-Developers] Some minor issue on Mac OS X 10.4 w/ RC2
MengJuei Hsieh
(Fri Mar 18 2011 - 17:02:08 PDT)
[AMBER-Developers] questions about gem
case
(Mon Mar 21 2011 - 14:53:13 PDT)
[AMBER-Developers] LyX fixes: couriers.sty and RHEL
B. Lachele Foley
(Fri Mar 25 2011 - 06:54:58 PDT)
[AMBER-Developers] question about random generator
Jason Swails
(Sat Mar 26 2011 - 21:11:14 PDT)
Re: [AMBER-Developers] question about random generator
Daniel Roe
(Sun Mar 27 2011 - 06:41:19 PDT)
[AMBER-Developers] Third release candidate for AmberTools 1.5
case
(Sun Mar 27 2011 - 04:39:37 PDT)
Re: [AMBER-Developers] Third release candidate for AmberTools 1.5
Jason Swails
(Sun Mar 27 2011 - 11:14:43 PDT)
Re: [AMBER-Developers] Third release candidate for AmberTools 1.5
yildirim.pas.rochester.edu
(Sun Mar 27 2011 - 11:23:53 PDT)
Re: [AMBER-Developers] Third release candidate for AmberTools 1.5
Jason Swails
(Sun Mar 27 2011 - 11:29:02 PDT)
Re: [AMBER-Developers] Third release candidate for AmberTools 1.5
yildirim.pas.rochester.edu
(Sun Mar 27 2011 - 11:49:46 PDT)
Re: [AMBER-Developers] Third release candidate for AmberTools 1.5
Jason Swails
(Sun Mar 27 2011 - 12:35:24 PDT)
Re: [AMBER-Developers] Third release candidate for AmberTools 1.5
yildirim.pas.rochester.edu
(Sun Mar 27 2011 - 15:37:01 PDT)
Re: [AMBER-Developers] Chi torsions in the ff10 force field
David A Case
(Mon Mar 28 2011 - 07:29:22 PDT)
Re: [AMBER-Developers] Chi torsions in the ff10 force field
yildirim.pas.rochester.edu
(Mon Mar 28 2011 - 11:18:51 PDT)
Re: [AMBER-Developers] Chi torsions in the ff10 force field
Thomas Cheatham III
(Mon Mar 28 2011 - 11:23:44 PDT)
Re: [AMBER-Developers] Third release candidate for AmberTools 1.5
David A Case
(Mon Mar 28 2011 - 05:37:53 PDT)
Re: [AMBER-Developers] Third release candidate for AmberTools 1.5
Jason Swails
(Sun Mar 27 2011 - 12:51:53 PDT)
[AMBER-Developers] testing ff10
case
(Sun Mar 27 2011 - 19:00:51 PDT)
Re: [AMBER-Developers] testing ff10
Jason Swails
(Mon Mar 28 2011 - 00:54:26 PDT)
Re: [AMBER-Developers] testing ff10
Daniel Roe
(Wed Mar 30 2011 - 09:16:01 PDT)
Re: [AMBER-Developers] Third release candidate for AmberTools 1.5
Ben Roberts
(Mon Mar 28 2011 - 08:58:38 PDT)
Re: [AMBER-Developers] Third release candidate for AmberTools 1.5
Jason Swails
(Mon Mar 28 2011 - 10:51:38 PDT)
Re: [AMBER-Developers] Third release candidate for AmberTools 1.5
David A Case
(Mon Mar 28 2011 - 12:47:52 PDT)
Re: [AMBER-Developers] Third release candidate for AmberTools 1.5
Jason Swails
(Mon Mar 28 2011 - 14:24:34 PDT)
Re: [AMBER-Developers] Third release candidate for AmberTools 1.5
David A Case
(Tue Mar 29 2011 - 04:43:50 PDT)
Re: [AMBER-Developers] Third release candidate for AmberTools 1.5
Andreas Goetz
(Mon Mar 28 2011 - 13:05:59 PDT)
Re: [AMBER-Developers] Third release candidate for AmberTools 1.5
David A Case
(Mon Mar 28 2011 - 13:13:12 PDT)
Re: [AMBER-Developers] Third release candidate for AmberTools 1.5
Ben Roberts
(Mon Mar 28 2011 - 15:58:21 PDT)
Re: [AMBER-Developers] Third release candidate for AmberTools 1.5
Ben Roberts
(Tue Mar 29 2011 - 15:27:23 PDT)
Re: [AMBER-Developers] Third release candidate for AmberTools 1.5
Jason Swails
(Tue Mar 29 2011 - 16:07:07 PDT)
Re: [AMBER-Developers] Third release candidate for AmberTools 1.5
Ben Roberts
(Wed Mar 30 2011 - 11:56:14 PDT)
Re: [AMBER-Developers] Third release candidate for AmberTools 1.5
Jason Swails
(Wed Mar 30 2011 - 11:59:36 PDT)
Re: [AMBER-Developers] Third release candidate for AmberTools 1.5
David A Case
(Thu Mar 31 2011 - 06:48:13 PDT)
Re: [AMBER-Developers] Third release candidate for AmberTools 1.5
Ben Roberts
(Thu Mar 31 2011 - 12:01:08 PDT)
[AMBER-Developers] Fwd: [CVS-notification] [GIT] git repository for AMBER: Recent .gitignore rules broke the automated tests.
Jason Swails
(Sun Mar 27 2011 - 10:16:58 PDT)
Re: [AMBER-Developers] Fwd: [CVS-notification] [GIT] git repository for AMBER: Recent .gitignore rules broke the automated tests.
Mark Williamson
(Sun Mar 27 2011 - 10:51:30 PDT)
[AMBER-Developers] AmberTools.pdf
Jason Swails
(Sun Mar 27 2011 - 10:31:31 PDT)
Re: [AMBER-Developers] AmberTools.pdf
case
(Sun Mar 27 2011 - 18:45:26 PDT)
[AMBER-Developers] git merging feature
Jason Swails
(Mon Mar 28 2011 - 11:50:08 PDT)
Re: [AMBER-Developers] git merging feature
David A Case
(Mon Mar 28 2011 - 12:59:22 PDT)
[AMBER-Developers] A treatise on the unfortunate side-effects of the obliteration of MPI_HOME
Jason Swails
(Tue Mar 29 2011 - 20:21:57 PDT)
Re: [AMBER-Developers] A treatise on the unfortunate side-effects of the obliteration of MPI_HOME
case
(Wed Mar 30 2011 - 05:31:02 PDT)
Re: [AMBER-Developers] A treatise on the unfortunate side-effects of the obliteration of MPI_HOME
Jason Swails
(Wed Mar 30 2011 - 08:19:13 PDT)
[AMBER-Developers] minor but troubling aspect of improper torsions in Amber force fields
case
(Wed Mar 30 2011 - 06:43:24 PDT)
[AMBER-Developers] Problems in sleap
Ben Roberts
(Wed Mar 30 2011 - 13:42:51 PDT)
Last message date
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Thu Mar 31 2011 - 12:30:03 PDT
Archived on
: Mon Dec 23 2024 - 05:02:35 PST
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