Amber Archive Sep 2010: by subject

[AMBER] $AMBERHOME/test/LES_noPME/Run.LESmd
- Alan (Tue Sep 07 2010 - 11:09:09 PDT)
- Jason Swails (Tue Sep 07 2010 - 10:54:40 PDT)
- Alan (Tue Sep 07 2010 - 10:33:15 PDT)
[AMBER] 'cluster' option of ptraj: Is it possible to directly feed a file with rmsd values as input?
- Arvind (Sun Sep 12 2010 - 22:59:36 PDT)
- Jianyin Shao (Fri Sep 03 2010 - 12:14:22 PDT)
- Bill Ross (Fri Sep 03 2010 - 10:58:31 PDT)
- Jianyin Shao (Fri Sep 03 2010 - 10:39:27 PDT)
- Arvind (Thu Sep 02 2010 - 07:52:14 PDT)
[AMBER] 10-12 hbond terms
- case (Fri Sep 24 2010 - 06:04:56 PDT)
- Philippe Pinard (Thu Sep 23 2010 - 14:36:35 PDT)
[AMBER] 2D radial distribution function
- Lekpa Duukori (Tue Sep 21 2010 - 07:39:00 PDT)
- Daniel Sindhikara (Tue Sep 21 2010 - 04:40:24 PDT)
- Lekpa Duukori (Tue Sep 21 2010 - 04:08:38 PDT)
- Daniel Sindhikara (Tue Sep 21 2010 - 03:40:14 PDT)
- Lekpa Duukori (Tue Sep 21 2010 - 02:36:45 PDT)
[AMBER] a pdb-trajout problems
- bingbing zhang (Sat Sep 25 2010 - 03:54:14 PDT)
- Trevor Gokey (Tue Sep 21 2010 - 22:08:19 PDT)
- bingbing zhang (Tue Sep 21 2010 - 19:44:32 PDT)
- Daniel Roe (Tue Sep 21 2010 - 07:42:53 PDT)
- bingbing zhang (Sun Sep 19 2010 - 18:40:24 PDT)
- bingbing zhang (Sun Sep 19 2010 - 07:57:39 PDT)
[AMBER] A question regarding mm_pbsa_statistics.pl
- bin wang (Mon Sep 27 2010 - 10:25:14 PDT)
- Alexander Metz (Wed Sep 22 2010 - 08:23:07 PDT)
- bin wang (Wed Sep 22 2010 - 06:42:16 PDT)
- manoj singh (Mon Sep 20 2010 - 17:42:23 PDT)
- bin wang (Mon Sep 20 2010 - 12:37:09 PDT)
- Jason Swails (Fri Sep 17 2010 - 15:49:38 PDT)
- bin wang (Fri Sep 17 2010 - 15:39:25 PDT)
[AMBER] About dipoles
- hong-bin Xie (Tue Sep 07 2010 - 10:22:46 PDT)
[AMBER] about the tutorials
- Carlos Simmerling (Fri Sep 03 2010 - 05:08:44 PDT)
[AMBER] Addition of extra-interaction term to LJ-potential: modification of souce code
- kurisaki ikuo (Mon Sep 27 2010 - 00:12:51 PDT)
[AMBER] AMBER 10 on OPENMPI
- Ye MEI (Tue Sep 14 2010 - 03:42:47 PDT)
- CHAMI F. (Tue Sep 14 2010 - 03:19:55 PDT)
[AMBER] AMBER 11 with OpenMPI and Intel Compiler on MacOSX
- Kazuo Ohta (Thu Sep 09 2010 - 23:01:21 PDT)
[AMBER] AMBER 11: Line minimizer aborted: step at lower bound
- Amor San Juan (Sun Sep 26 2010 - 19:25:59 PDT)
- case (Fri Sep 24 2010 - 05:15:09 PDT)
- Amor San Juan (Fri Sep 24 2010 - 02:03:43 PDT)
- hirdesh kumar (Thu Sep 23 2010 - 23:51:28 PDT)
- Amor San Juan (Thu Sep 23 2010 - 23:40:23 PDT)
[AMBER] AMBER RESTART QUESTIONS
- Yu, Bingwu (Mon Sep 27 2010 - 13:54:44 PDT)
- case (Mon Sep 27 2010 - 11:14:00 PDT)
- Paul S. Nerenberg (Mon Sep 27 2010 - 11:03:53 PDT)
- Yu, Bingwu (Mon Sep 27 2010 - 10:41:39 PDT)
[AMBER] Amber10 tests and benchmark verification failures across compilers
- Jason Swails (Thu Sep 02 2010 - 05:57:55 PDT)
- Rasale, Anupama (Thu Sep 02 2010 - 04:08:41 PDT)
[AMBER] Amber11 compile issue
- Anuradha Mittal (Sun Sep 19 2010 - 08:27:27 PDT)
- Ross Walker (Sat Sep 18 2010 - 23:28:40 PDT)
- Anuradha Mittal (Sat Sep 18 2010 - 22:11:54 PDT)
- Ross Walker (Sat Sep 18 2010 - 22:03:14 PDT)
- Anuradha Mittal (Sat Sep 18 2010 - 20:15:58 PDT)
- Jason Swails (Sat Sep 18 2010 - 20:14:15 PDT)
- Anuradha Mittal (Sat Sep 18 2010 - 19:10:51 PDT)
- Jason Swails (Sat Sep 18 2010 - 19:05:57 PDT)
- Anuradha Mittal (Sat Sep 18 2010 - 19:00:48 PDT)
[AMBER] amber11 installation error
- case (Fri Sep 24 2010 - 05:08:26 PDT)
- Sangita Kachhap (Fri Sep 24 2010 - 02:38:17 PDT)
- Jason Swails (Thu Sep 23 2010 - 22:52:36 PDT)
- Paul S. Nerenberg (Thu Sep 23 2010 - 21:46:02 PDT)
- Sangita Kachhap (Thu Sep 23 2010 - 21:03:44 PDT)
- Paul S. Nerenberg (Thu Sep 23 2010 - 10:54:58 PDT)
- Sangita Kachhap (Thu Sep 23 2010 - 10:11:42 PDT)
- Paul S. Nerenberg (Thu Sep 23 2010 - 09:56:53 PDT)
- Sangita Kachhap (Thu Sep 23 2010 - 09:50:44 PDT)
- case (Thu Sep 23 2010 - 09:21:55 PDT)
- Sangita Kachhap (Thu Sep 23 2010 - 09:07:02 PDT)
[AMBER] amber7 vs xleap on 64bit machine
- Scott Brozell (Wed Sep 08 2010 - 16:49:23 PDT)
- case (Wed Sep 08 2010 - 13:31:57 PDT)
- Jason Swails (Wed Sep 08 2010 - 09:53:33 PDT)
- Rossella Noschese (Wed Sep 08 2010 - 08:37:29 PDT)
- case (Wed Sep 08 2010 - 08:04:04 PDT)
- Rossella Noschese (Wed Sep 08 2010 - 07:50:04 PDT)
- Jason Swails (Wed Sep 08 2010 - 07:00:23 PDT)
- Frank Thommen (Wed Sep 08 2010 - 06:45:58 PDT)
- Jason Swails (Wed Sep 08 2010 - 06:24:47 PDT)
- Rossella Noschese (Wed Sep 08 2010 - 06:06:00 PDT)
- case (Wed Sep 08 2010 - 05:07:54 PDT)
- Jason Swails (Wed Sep 08 2010 - 04:51:59 PDT)
- Rossella Noschese (Wed Sep 08 2010 - 02:48:44 PDT)
[AMBER] AmberTools 1.4 installation problem
- Jason Swails (Thu Sep 23 2010 - 06:53:07 PDT)
- case (Thu Sep 23 2010 - 06:33:22 PDT)
- Jason Swails (Thu Sep 23 2010 - 05:12:46 PDT)
- Shradha Chopra Phd2009,BIC (Thu Sep 23 2010 - 04:50:02 PDT)
[AMBER] ambertools1.4 install problem
- Bill Ross (Fri Sep 17 2010 - 10:16:18 PDT)
- case (Fri Sep 17 2010 - 09:01:35 PDT)
- case (Fri Sep 17 2010 - 09:06:36 PDT)
- manoj singh (Fri Sep 17 2010 - 08:35:49 PDT)
- Anuradha Mittal (Fri Sep 17 2010 - 08:17:08 PDT)
- case (Fri Sep 17 2010 - 05:09:45 PDT)
- Anuradha Mittal (Thu Sep 16 2010 - 20:20:54 PDT)
- Jason Swails (Thu Sep 16 2010 - 20:09:23 PDT)
- Anuradha Mittal (Thu Sep 16 2010 - 19:15:47 PDT)
- Jason Swails (Thu Sep 16 2010 - 16:42:26 PDT)
- Anuradha Mittal (Thu Sep 16 2010 - 15:36:52 PDT)
[AMBER] Analysis of MD simulation
- steinbrt.rci.rutgers.edu (Sat Sep 25 2010 - 21:39:12 PDT)
- Peter Charles Kahuna (Sat Sep 25 2010 - 11:20:37 PDT)
- Ashutosh Shandilya (Fri Sep 24 2010 - 21:50:49 PDT)
- steinbrt.rci.rutgers.edu (Fri Sep 24 2010 - 21:38:38 PDT)
- Ashutosh Shandilya (Fri Sep 24 2010 - 21:15:27 PDT)
- Ashutosh Shandilya (Thu Sep 23 2010 - 23:48:00 PDT)
[AMBER] Antechamber issue
- David A. Case (Wed Sep 01 2010 - 14:24:28 PDT)
- P Bhattacharya (Wed Sep 01 2010 - 13:10:09 PDT)
[AMBER] Aromatic C and N atom type problems in Antechamber
- Gabriel Rocklin (Mon Sep 27 2010 - 21:29:38 PDT)
- Sasha Buzko (Mon Sep 20 2010 - 13:30:16 PDT)
- Gabriel Rocklin (Mon Sep 20 2010 - 13:20:45 PDT)
[AMBER] Atom selection
- Senthil Natesan (Fri Sep 10 2010 - 06:54:07 PDT)
- Rahul Banerjee (Wed Sep 08 2010 - 19:27:42 PDT)
[AMBER] Average distance between two hydrogens over a 1 ns simulation
- Peter Schmidtke (Mon Sep 13 2010 - 04:50:06 PDT)
- Edward M. (Mon Sep 13 2010 - 04:39:17 PDT)
[AMBER] Blowing array
- Seibold, Stephen (Wed Sep 22 2010 - 06:31:24 PDT)
- Seibold, Stephen (Tue Sep 21 2010 - 07:41:55 PDT)
- Daniel Roe (Tue Sep 21 2010 - 07:31:23 PDT)
- case (Sun Sep 19 2010 - 18:23:24 PDT)
- Yi Shang (Sun Sep 19 2010 - 18:19:46 PDT)
- Seibold, Stephen (Sun Sep 19 2010 - 16:00:42 PDT)
- case (Sun Sep 19 2010 - 11:28:41 PDT)
- Daniel Roe (Sat Sep 18 2010 - 15:25:32 PDT)
- Seibold, Stephen (Sat Sep 18 2010 - 14:19:20 PDT)
[AMBER] bonded model
- xuemeiwang1103 (Thu Sep 30 2010 - 01:51:58 PDT)
[AMBER] Building a sequence using a new molecular fragment
- Millen, Andrea (Mon Sep 20 2010 - 10:59:17 PDT)
- FyD (Thu Sep 09 2010 - 23:45:58 PDT)
- Millen, Andrea (Thu Sep 09 2010 - 17:04:06 PDT)
[AMBER] builiding an oxide substrate
- tomba.uni-bremen.de (Sun Sep 05 2010 - 15:22:27 PDT)
[AMBER] calculation of inter atomic distances
- Daniel Roe (Tue Sep 28 2010 - 08:37:25 PDT)
- Ashutosh Shandilya (Tue Sep 28 2010 - 00:16:55 PDT)
[AMBER] can't save the PDB file to produce topology and coordinates file
- Bill Ross (Sun Sep 26 2010 - 14:39:02 PDT)
- dhacademic (Sun Sep 26 2010 - 06:25:10 PDT)
- geyan (Sun Sep 26 2010 - 00:20:57 PDT)
- geyan (Sat Sep 25 2010 - 21:43:53 PDT)
[AMBER] can't save the PDB file to produce topology andcoordinates file
- Jason Swails (Mon Sep 27 2010 - 04:14:06 PDT)
- geyan (Mon Sep 27 2010 - 03:21:50 PDT)
- geyan (Mon Sep 27 2010 - 03:14:14 PDT)
[AMBER] chamber At line 2692 of file _psfprm.f
- Ross Walker (Fri Sep 24 2010 - 07:33:53 PDT)
- Mark Williamson (Fri Sep 24 2010 - 07:33:02 PDT)
- Jorgen Simonsen (Fri Sep 24 2010 - 07:05:57 PDT)
- Jorgen Simonsen (Wed Sep 22 2010 - 04:30:40 PDT)
- Ross Walker (Mon Sep 13 2010 - 09:01:23 PDT)
- Mark Williamson (Mon Sep 13 2010 - 08:10:30 PDT)
- Jorgen Simonsen (Mon Sep 13 2010 - 08:00:30 PDT)
[AMBER] changing mdcrd file to XYZ
- hong-bin Xie (Mon Sep 20 2010 - 10:48:27 PDT)
- Lekpa Duukori (Mon Sep 20 2010 - 10:44:03 PDT)
- Jason Swails (Mon Sep 20 2010 - 10:43:53 PDT)
- hong-bin Xie (Mon Sep 20 2010 - 10:01:44 PDT)
[AMBER] Cieplak work on RESP charges derivation
- Kevin Hauser (Sat Sep 25 2010 - 15:35:26 PDT)
- Josmar R. da Rocha (Sat Sep 25 2010 - 14:25:56 PDT)
[AMBER] cis/trans transition
- Carlos Simmerling (Fri Sep 03 2010 - 08:58:51 PDT)
- Jorgen Simonsen (Fri Sep 03 2010 - 08:25:50 PDT)
[AMBER] Clarification: nscm and iwrap
- mdkvia.yahoo.com (Sat Sep 18 2010 - 04:36:11 PDT)
[AMBER] Cluster analysis
- ros (Thu Sep 30 2010 - 07:24:07 PDT)
- Niel Henriksen (Wed Sep 29 2010 - 18:07:44 PDT)
- ros (Wed Sep 29 2010 - 17:48:10 PDT)
[AMBER] Compaliation of sander.APBS
- Robert Konecny (Thu Sep 16 2010 - 14:12:39 PDT)
- Hemant Kumar (Wed Sep 15 2010 - 17:11:33 PDT)
[AMBER] comparison of PDBs from clustering - representative, average and from rst file
- Andrew Voronkov (Sat Sep 18 2010 - 04:24:03 PDT)
- Thomas Cheatham III (Thu Sep 16 2010 - 08:39:41 PDT)
- Andrew Voronkov (Thu Sep 16 2010 - 03:25:57 PDT)
- Andrew Voronkov (Wed Sep 15 2010 - 23:10:55 PDT)
- Thomas Cheatham III (Wed Sep 15 2010 - 15:18:22 PDT)
- Andrew Voronkov (Wed Sep 15 2010 - 11:57:19 PDT)
[AMBER] compilation fails ALL make.parallel tests
- Daniel Sindhikara (Mon Sep 13 2010 - 22:58:02 PDT)
- case (Mon Sep 13 2010 - 04:40:33 PDT)
- Daniel Sindhikara (Sun Sep 12 2010 - 23:52:03 PDT)
- case (Sun Sep 12 2010 - 06:44:43 PDT)
- Daniel Sindhikara (Sun Sep 12 2010 - 03:07:54 PDT)
- case (Fri Sep 10 2010 - 04:42:12 PDT)
- Daniel Sindhikara (Fri Sep 10 2010 - 02:56:09 PDT)
[AMBER] Compilation problems for amber9/parallel (aka: How to use g77?)
- Frank Thommen (Wed Sep 08 2010 - 07:12:15 PDT)
- Jason Swails (Wed Sep 08 2010 - 07:04:10 PDT)
- Frank Thommen (Wed Sep 08 2010 - 07:00:25 PDT)
- peter.stauffert.boehringer-ingelheim.com (Wed Sep 08 2010 - 06:52:45 PDT)
- Frank Thommen (Wed Sep 08 2010 - 06:32:14 PDT)
- Jason Swails (Wed Sep 08 2010 - 05:49:46 PDT)
- Frank Thommen (Wed Sep 08 2010 - 05:37:37 PDT)
[AMBER] Complex distorts during pressure adjustment in equilibr ation. .
- Don.Bashford.stjude.org (Fri Sep 10 2010 - 16:44:31 PDT)
[AMBER] Complex distorts during pressure adjustment in equilibration
- Thomas Cheatham III (Fri Sep 10 2010 - 17:21:17 PDT)
- Alexander Metz (Fri Sep 10 2010 - 11:28:46 PDT)
- Sergio R Aragon (Fri Sep 10 2010 - 10:26:41 PDT)
- Alexander Metz (Fri Sep 10 2010 - 03:40:47 PDT)
[AMBER] Confirmation of stabilisation of protein at equilibrium step
- steinbrt.rci.rutgers.edu (Wed Sep 22 2010 - 02:36:26 PDT)
- shweta (Wed Sep 22 2010 - 01:35:28 PDT)
[AMBER] Confirmation of System equilibration ?
- Jason Swails (Wed Sep 08 2010 - 04:53:50 PDT)
- hirdesh kumar (Tue Sep 07 2010 - 21:15:18 PDT)
- manikanthan bhavaraju (Tue Sep 07 2010 - 21:11:53 PDT)
- hirdesh kumar (Tue Sep 07 2010 - 20:38:41 PDT)
[AMBER] constraint of bond
- case (Mon Sep 20 2010 - 18:09:12 PDT)
- Jorgen Simonsen (Mon Sep 20 2010 - 13:28:28 PDT)
[AMBER] contacts command
- Andrew Voronkov (Sun Sep 12 2010 - 13:41:01 PDT)
[AMBER] Create a carbon nanotube.
- moacyr comar (Wed Sep 08 2010 - 11:28:18 PDT)
[AMBER] Creation of a mol2/pdb initial structure file of a pharmaceutical compound.
- Andreas Goetz (Wed Sep 22 2010 - 09:47:15 PDT)
- Baptiste Legrand (Wed Sep 22 2010 - 07:55:54 PDT)
- Trevor Gokey (Wed Sep 22 2010 - 00:52:58 PDT)
- case (Tue Sep 21 2010 - 08:58:12 PDT)
- Baptiste Legrand (Tue Sep 21 2010 - 06:12:06 PDT)
- case (Tue Sep 21 2010 - 04:37:14 PDT)
- Baptiste Legrand (Tue Sep 21 2010 - 02:45:08 PDT)
[AMBER] Cu2+ parameters
- ros (Thu Sep 30 2010 - 05:36:49 PDT)
- babak minoofar (Thu Sep 30 2010 - 02:36:34 PDT)
[AMBER] cubic box
- Bill Ross (Wed Sep 29 2010 - 17:22:33 PDT)
- Andrew Jewett (Wed Sep 29 2010 - 17:06:00 PDT)
- Daniel Roe (Tue Sep 28 2010 - 08:54:47 PDT)
- case (Tue Sep 28 2010 - 08:40:48 PDT)
- subrata paul (Tue Sep 28 2010 - 06:04:21 PDT)
- case (Tue Sep 28 2010 - 04:52:13 PDT)
- subrata paul (Tue Sep 28 2010 - 00:17:59 PDT)
- case (Mon Sep 27 2010 - 04:43:17 PDT)
- subrata paul (Sun Sep 26 2010 - 22:19:35 PDT)
[AMBER] curves question
- Temiz, Nuri (NIH/NCI) [C] (Fri Sep 10 2010 - 12:41:24 PDT)
[AMBER] Cut-off distance "in Closest" command of ptraj
- Carlos Simmerling (Thu Sep 02 2010 - 04:20:46 PDT)
- Amor San Juan (Wed Sep 01 2010 - 19:41:07 PDT)
[AMBER] Debug pmemd.cuda
- Scott Le Grand (Mon Sep 13 2010 - 13:10:32 PDT)
- Sergio R Aragon (Mon Sep 13 2010 - 12:29:14 PDT)
[AMBER] debug run
- Sergio R Aragon (Fri Sep 10 2010 - 15:36:35 PDT)
- Scott Le Grand (Fri Sep 10 2010 - 13:34:42 PDT)
- Jason Swails (Fri Sep 10 2010 - 12:26:29 PDT)
- Sergio R Aragon (Fri Sep 10 2010 - 12:03:20 PDT)
[AMBER] disulfide bonds in amoeba
- case (Sun Sep 26 2010 - 06:55:34 PDT)
[AMBER] Disulphide bond breakage during minimization
- case (Tue Sep 28 2010 - 04:49:10 PDT)
- hirdesh kumar (Tue Sep 28 2010 - 04:37:24 PDT)
- hirdesh kumar (Tue Sep 28 2010 - 04:00:08 PDT)
- Carlos Simmerling (Tue Sep 28 2010 - 03:59:06 PDT)
- steinbrt.rci.rutgers.edu (Tue Sep 28 2010 - 03:55:45 PDT)
- Hannes Loeffler (Tue Sep 28 2010 - 02:51:10 PDT)
- hirdesh kumar (Tue Sep 28 2010 - 02:36:44 PDT)
- Hannes Loeffler (Tue Sep 28 2010 - 01:05:44 PDT)
- hirdesh kumar (Tue Sep 28 2010 - 00:51:45 PDT)
- steinbrt.rci.rutgers.edu (Mon Sep 27 2010 - 23:53:34 PDT)
- hirdesh kumar (Mon Sep 27 2010 - 23:08:56 PDT)
- steinbrt.rci.rutgers.edu (Mon Sep 27 2010 - 23:01:38 PDT)
- hirdesh kumar (Mon Sep 27 2010 - 22:48:25 PDT)
[AMBER] Disulphide Bond Cleavage
- case (Fri Sep 24 2010 - 04:56:25 PDT)
- Aditya Padhi (Fri Sep 24 2010 - 03:55:47 PDT)
- hirdesh kumar (Thu Sep 23 2010 - 23:31:17 PDT)
- Jason Swails (Thu Sep 23 2010 - 22:55:58 PDT)
- hirdesh kumar (Thu Sep 23 2010 - 21:01:31 PDT)
[AMBER] Domainwise rmsd using ptraj rms
- moitrayee.mbu.iisc.ernet.in (Sun Sep 26 2010 - 04:35:35 PDT)
- moitrayee.mbu.iisc.ernet.in (Wed Sep 15 2010 - 23:20:52 PDT)
- Daniel Roe (Wed Sep 15 2010 - 14:40:56 PDT)
- moitrayee.mbu.iisc.ernet.in (Wed Sep 15 2010 - 13:25:54 PDT)
[AMBER] Error due to ***s in restart file
- Arvind (Wed Sep 22 2010 - 11:32:44 PDT)
- Trevor Gokey (Tue Sep 21 2010 - 22:16:31 PDT)
- Arvind (Mon Sep 20 2010 - 03:51:10 PDT)
- case (Sun Sep 19 2010 - 14:14:46 PDT)
- Arvind (Sun Sep 19 2010 - 14:07:22 PDT)
[AMBER] ERROR in MM-PBSA
- Jason Swails (Thu Sep 23 2010 - 16:47:56 PDT)
- Siddharth Rastogi (Thu Sep 23 2010 - 15:05:25 PDT)
- Jason Swails (Thu Sep 16 2010 - 16:49:42 PDT)
- Siddharth Rastogi (Thu Sep 16 2010 - 16:01:19 PDT)
- Jason Swails (Tue Sep 14 2010 - 09:49:07 PDT)
- Siddharth Rastogi (Tue Sep 14 2010 - 09:29:58 PDT)
- Jason Swails (Wed Sep 08 2010 - 20:11:05 PDT)
- Siddharth Rastogi (Wed Sep 08 2010 - 17:49:44 PDT)
- Bill Ross (Fri Sep 03 2010 - 17:14:26 PDT)
- Siddharth Rastogi (Fri Sep 03 2010 - 17:07:38 PDT)
- Siddharth Rastogi (Thu Sep 02 2010 - 11:48:21 PDT)
- Jason Swails (Wed Sep 01 2010 - 18:30:42 PDT)
- Siddharth Rastogi (Wed Sep 01 2010 - 17:18:44 PDT)
- Jason Swails (Wed Sep 01 2010 - 16:29:41 PDT)
- Dwight McGee (Wed Sep 01 2010 - 08:31:49 PDT)
- Siddharth Rastogi (Wed Sep 01 2010 - 08:10:33 PDT)
[AMBER] error in MMPBSA calculation
- Chanchal (Fri Sep 24 2010 - 00:49:29 PDT)
- Bill Miller III (Thu Sep 23 2010 - 15:00:56 PDT)
- Chanchal (Thu Sep 23 2010 - 14:51:37 PDT)
- Jason Swails (Thu Sep 23 2010 - 08:15:57 PDT)
- Chanchal (Thu Sep 23 2010 - 08:10:43 PDT)
- Chanchal (Wed Sep 22 2010 - 13:21:54 PDT)
- Jason Swails (Wed Sep 22 2010 - 10:51:44 PDT)
- Chanchal (Wed Sep 22 2010 - 10:41:41 PDT)
- Chanchal (Tue Sep 21 2010 - 13:13:01 PDT)
- Bill Miller III (Tue Sep 21 2010 - 09:44:24 PDT)
- Chanchal (Tue Sep 21 2010 - 07:57:10 PDT)
[AMBER] ERROR in safe_malloc: Error in alloc of -2030981184 bytes
- Thomas Cheatham (Sat Sep 04 2010 - 13:51:34 PDT)
- Jason Swails (Sat Sep 04 2010 - 13:03:00 PDT)
- Ehsan Habibi (Sat Sep 04 2010 - 09:23:15 PDT)
[AMBER] ERROR: The unperturbed charge of the unit: 0.010000 is not integral
- Bongkeun Kim (Sat Sep 25 2010 - 10:01:18 PDT)
- FyD (Sat Sep 25 2010 - 03:27:44 PDT)
- Bongkeun Kim (Fri Sep 24 2010 - 11:43:31 PDT)
- James Maier (Fri Sep 24 2010 - 10:46:37 PDT)
- Bongkeun Kim (Fri Sep 24 2010 - 08:50:04 PDT)
- FyD (Fri Sep 24 2010 - 07:30:04 PDT)
- James Maier (Fri Sep 24 2010 - 05:31:18 PDT)
- Bongkeun Kim (Thu Sep 23 2010 - 23:30:06 PDT)
[AMBER] eV to kcal/mol conversion factor
- case (Sat Sep 04 2010 - 06:18:02 PDT)
- Gustavo Seabra (Fri Sep 03 2010 - 06:51:41 PDT)
- Ben Roberts (Fri Sep 03 2010 - 06:34:08 PDT)
- Adrian Roitberg (Thu Sep 02 2010 - 10:50:54 PDT)
- Ben Roberts (Thu Sep 02 2010 - 10:33:32 PDT)
[AMBER] Exactly the same energy output over multiple runs of cuda_SPDP
- Scott Le Grand (Mon Sep 13 2010 - 18:37:03 PDT)
- Trevor Gokey (Mon Sep 13 2010 - 18:26:13 PDT)
- Ross Walker (Mon Sep 13 2010 - 16:55:28 PDT)
- Trevor Gokey (Mon Sep 13 2010 - 16:33:29 PDT)
[AMBER] explicitly set the ig variable for ntt=3
- Jason Swails (Fri Sep 03 2010 - 05:01:53 PDT)
- hirdesh kumar (Fri Sep 03 2010 - 01:16:25 PDT)
- colvin (Fri Sep 03 2010 - 00:49:40 PDT)
[AMBER] extended conjugated systems - possible?
- Hannes Loeffler (Fri Sep 03 2010 - 06:32:59 PDT)
[AMBER] Extracting backbone dihedral angles
- Jason Swails (Fri Sep 24 2010 - 06:01:46 PDT)
- Harald Lanig (Fri Sep 24 2010 - 04:07:58 PDT)
[AMBER] Fwd: comparison of PDBs from clustering - representative, average and from rst file
- Andrew Voronkov (Wed Sep 15 2010 - 13:37:44 PDT)
[AMBER] Gamma_ln in REMD
- Lekpa Duukori (Tue Sep 07 2010 - 07:03:54 PDT)
- Carlos Simmerling (Tue Sep 07 2010 - 03:36:56 PDT)
- Lekpa Duukori (Mon Sep 06 2010 - 16:37:19 PDT)
[AMBER] GBOBC cutoff distances
- Carlos Simmerling (Thu Sep 30 2010 - 11:05:23 PDT)
- David Tanner (Thu Sep 30 2010 - 09:42:36 PDT)
[AMBER] GLYCAM residue naming
- manoj singh (Wed Sep 08 2010 - 22:19:50 PDT)
- Lachele Foley (Lists) (Wed Sep 08 2010 - 16:14:11 PDT)
- manoj singh (Wed Sep 08 2010 - 15:31:37 PDT)
- Bill Ross (Wed Sep 08 2010 - 15:02:23 PDT)
- manoj singh (Wed Sep 08 2010 - 14:28:41 PDT)
- Lekpa Duukori (Wed Sep 08 2010 - 14:22:52 PDT)
- Lachele Foley (Lists) (Wed Sep 08 2010 - 14:22:31 PDT)
- manoj singh (Wed Sep 08 2010 - 14:16:56 PDT)
- Lekpa Duukori (Wed Sep 08 2010 - 14:14:32 PDT)
- Lachele Foley (Lists) (Wed Sep 08 2010 - 14:12:48 PDT)
- manoj singh (Wed Sep 08 2010 - 13:51:06 PDT)
- Lachele Foley (Lists) (Wed Sep 08 2010 - 13:46:49 PDT)
- manoj singh (Wed Sep 08 2010 - 13:30:50 PDT)
- Lachele Foley (Lists) (Wed Sep 08 2010 - 06:35:36 PDT)
- manoj singh (Tue Sep 07 2010 - 15:02:54 PDT)
- Bill Ross (Tue Sep 07 2010 - 14:01:03 PDT)
- manoj singh (Tue Sep 07 2010 - 13:51:39 PDT)
- Lachele Foley (Lists) (Tue Sep 07 2010 - 07:05:59 PDT)
- manoj singh (Mon Sep 06 2010 - 18:56:00 PDT)
- Lachele Foley (Lists) (Mon Sep 06 2010 - 09:24:39 PDT)
- manoj singh (Mon Sep 06 2010 - 09:05:28 PDT)
[AMBER] GPU memory test program
- Scott Le Grand (Fri Sep 10 2010 - 11:32:54 PDT)
- Sergio R Aragon (Fri Sep 10 2010 - 10:17:42 PDT)
[AMBER] GRID-enabled web portal for the use of the AMBER
- Sergio R Aragon (Mon Sep 20 2010 - 10:42:30 PDT)
- Lucio Ferella (Mon Sep 20 2010 - 05:11:27 PDT)
[AMBER] H-bonb calculation
- Jason Swails (Tue Sep 28 2010 - 07:17:26 PDT)
- Sangita Kachhap (Tue Sep 28 2010 - 05:58:54 PDT)
[AMBER] Hbond Analysis
- Mannan (Fri Sep 03 2010 - 05:20:52 PDT)
- Daniel Roe (Fri Sep 03 2010 - 04:55:27 PDT)
- Mannan (Fri Sep 03 2010 - 02:03:02 PDT)
[AMBER] Heating up the sytem
- Senthil Natesan (Sat Sep 04 2010 - 07:57:10 PDT)
- Sangita Kachhap (Fri Sep 03 2010 - 03:36:45 PDT)
- hirdesh kumar (Fri Sep 03 2010 - 01:51:49 PDT)
[AMBER] Histamine Hydrogen
- hirdesh kumar (Sat Sep 25 2010 - 10:38:07 PDT)
- Jason Swails (Sat Sep 25 2010 - 09:56:33 PDT)
- hirdesh kumar (Fri Sep 24 2010 - 23:42:02 PDT)
[AMBER] how to add Zn into a protein structure.
- case (Sat Sep 04 2010 - 07:54:26 PDT)
- Chinh Su Tran To (Thu Sep 02 2010 - 05:35:04 PDT)
[AMBER] how to calculate the interaction energies
- pxq (Mon Sep 20 2010 - 19:30:07 PDT)
[AMBER] How to calculate total potential energy for protein chain only?
- steinbrt.rci.rutgers.edu (Wed Sep 22 2010 - 23:55:33 PDT)
- Liu, Jingyuan (Wed Sep 22 2010 - 06:56:30 PDT)
- steinbrt.rci.rutgers.edu (Tue Sep 21 2010 - 21:47:26 PDT)
- Jason Swails (Tue Sep 21 2010 - 21:45:14 PDT)
- hirdesh kumar (Tue Sep 21 2010 - 21:30:43 PDT)
- steinbrt.rci.rutgers.edu (Tue Sep 21 2010 - 21:18:03 PDT)
- Bill Ross (Tue Sep 21 2010 - 10:42:43 PDT)
- Liu, Jingyuan (Tue Sep 21 2010 - 08:39:25 PDT)
- Liu, Jingyuan (Tue Sep 21 2010 - 08:34:34 PDT)
- Liu, Jingyuan (Tue Sep 21 2010 - 06:42:40 PDT)
[AMBER] How to control the speed of heating?
- xqkong (Sat Sep 11 2010 - 23:15:10 PDT)
- cieplak.cgl.ucsf.edu (Sat Sep 11 2010 - 22:53:56 PDT)
- Carlos Simmerling (Sat Sep 11 2010 - 04:01:51 PDT)
- xqkong (Sat Sep 11 2010 - 03:59:49 PDT)
- Carlos Simmerling (Sat Sep 11 2010 - 03:40:30 PDT)
- xqkong (Sat Sep 11 2010 - 03:39:06 PDT)
- Daniel Sindhikara (Sat Sep 11 2010 - 02:12:21 PDT)
- xqkong (Sat Sep 11 2010 - 01:59:36 PDT)
[AMBER] How to disable the function to look for N terminal in leap?
- Jason Swails (Mon Sep 27 2010 - 04:22:11 PDT)
- Hugh Cheng (Sun Sep 26 2010 - 21:51:19 PDT)
[AMBER] how to set charge and radius of my own custom ion
- Jason Swails (Fri Sep 03 2010 - 20:47:32 PDT)
- Bill Ross (Fri Sep 03 2010 - 20:06:16 PDT)
- Anbang Li (Fri Sep 03 2010 - 19:24:23 PDT)
- Bill Ross (Fri Sep 03 2010 - 16:49:02 PDT)
- Bill Ross (Fri Sep 03 2010 - 16:38:27 PDT)
- Anbang Li (Fri Sep 03 2010 - 16:14:27 PDT)
[AMBER] how to set clock rate? temperature in a C2050 card? hardware replacement?
- Scott Le Grand (Mon Sep 13 2010 - 13:58:36 PDT)
- Sergio R Aragon (Mon Sep 13 2010 - 13:34:11 PDT)
[AMBER] how we increase the number of sugar molecule in a system
- Lachele Foley (Lists) (Thu Sep 02 2010 - 09:27:22 PDT)
- subrata paul (Thu Sep 02 2010 - 05:19:01 PDT)
[AMBER] hydrogen bond analysis
- Daniel Roe (Wed Sep 01 2010 - 05:18:03 PDT)
- Ehsan Habibi (Wed Sep 01 2010 - 02:05:53 PDT)
[AMBER] hydrogen-deuterium exchange: iso program or papers that outline methods
- case (Tue Sep 21 2010 - 12:39:26 PDT)
- Sidney Elmer (Tue Sep 21 2010 - 09:28:17 PDT)
[AMBER] ibelly doesn't work
- David Watson (Mon Sep 27 2010 - 23:04:34 PDT)
- steinbrt.rci.rutgers.edu (Mon Sep 27 2010 - 21:13:47 PDT)
- qiaoyan (Mon Sep 27 2010 - 19:01:55 PDT)
[AMBER] ig value
- Daniel Sindhikara (Sat Sep 11 2010 - 15:00:40 PDT)
- M. Reza Ganjalikhany (Sat Sep 11 2010 - 14:44:32 PDT)
[AMBER] implicit solvent model and charged chain
- case (Wed Sep 29 2010 - 05:15:02 PDT)
- manoj singh (Tue Sep 28 2010 - 22:23:22 PDT)
- Jorgen Simonsen (Tue Sep 28 2010 - 22:07:12 PDT)
[AMBER] inconsistency between steered Md and GBSA
- Jason Swails (Sat Sep 18 2010 - 14:42:39 PDT)
- MEHMET ALI OZTURK (Sat Sep 18 2010 - 12:57:37 PDT)
[AMBER] Incorrect handling of phenylalanine amide by antechamber
- Francesco Pietra (Thu Sep 30 2010 - 09:35:35 PDT)
- case (Thu Sep 30 2010 - 07:24:36 PDT)
- Francesco Pietra (Thu Sep 30 2010 - 06:41:25 PDT)
- case (Thu Sep 30 2010 - 04:28:53 PDT)
- Francesco Pietra (Thu Sep 30 2010 - 02:25:58 PDT)
[AMBER] installation of Ambertools
- Jason Swails (Thu Sep 02 2010 - 05:49:57 PDT)
- Rebeca García Fandiño (Thu Sep 02 2010 - 05:14:17 PDT)
[AMBER] installation of python script for mm_pbsa
- Bill Miller III (Thu Sep 09 2010 - 09:22:11 PDT)
- Sangita Kachhap (Thu Sep 09 2010 - 09:17:03 PDT)
[AMBER] Installing Amber9 on Ubuntu platform
- Jason Swails (Wed Sep 01 2010 - 05:34:23 PDT)
- Arun Gupta (Wed Sep 01 2010 - 05:19:54 PDT)
[AMBER] integer divide by zero
- case (Mon Sep 27 2010 - 08:27:30 PDT)
- Pete Kekenes-Huskey (Mon Sep 27 2010 - 07:26:06 PDT)
- case (Mon Sep 27 2010 - 06:43:25 PDT)
- Pete Kekenes-Huskey (Sat Sep 25 2010 - 10:24:11 PDT)
[AMBER] Is there any Amber training programm in Europe?
- Ross Walker (Fri Sep 03 2010 - 01:24:44 PDT)
- albert (Thu Sep 02 2010 - 09:39:45 PDT)
[AMBER] JAC error reproduced 3 times on GTX 470
- Scott Le Grand (Fri Sep 10 2010 - 08:33:15 PDT)
- Mark Williamson (Fri Sep 10 2010 - 08:15:11 PDT)
- Sergio R Aragon (Thu Sep 09 2010 - 09:20:06 PDT)
[AMBER] JAC test on GTX 470 error produced
- Jason Swails (Wed Sep 08 2010 - 19:26:20 PDT)
- Sergio R Aragon (Wed Sep 08 2010 - 18:17:13 PDT)
[AMBER] JAC test on GTX 470 error produced/run again w/o changes/need help
- Ross Walker (Wed Sep 08 2010 - 20:42:12 PDT)
- Sergio R Aragon (Wed Sep 08 2010 - 20:07:25 PDT)
[AMBER] JAC test on GTX 470 started
- Scott Le Grand (Wed Sep 08 2010 - 15:41:59 PDT)
- Sergio R Aragon (Wed Sep 08 2010 - 15:22:42 PDT)
[AMBER] LD and SGLD runs (Simulations)
- Carlos Simmerling (Tue Sep 14 2010 - 03:36:38 PDT)
- Daniel Sindhikara (Mon Sep 13 2010 - 19:46:37 PDT)
- shaktis.gbu.ac.in (Mon Sep 13 2010 - 18:53:40 PDT)
[AMBER] leap for peptide with new residue
- Francesco Pietra (Wed Sep 29 2010 - 09:48:14 PDT)
[AMBER] list of atoms with associated total forces ?
- Marek Maly (Tue Sep 14 2010 - 14:09:54 PDT)
- Ben Roberts (Tue Sep 14 2010 - 13:45:39 PDT)
- Marek Maly (Tue Sep 14 2010 - 08:32:43 PDT)
[AMBER] list of atomsG4 with amber with associated total forces ?
- Marek Maly (Thu Sep 16 2010 - 09:51:34 PDT)
- Philippe Pinard (Thu Sep 16 2010 - 08:53:06 PDT)
[AMBER] loop relaxation with les
- Carlos Simmerling (Wed Sep 29 2010 - 12:38:07 PDT)
- Simon Becker (Sun Sep 26 2010 - 07:34:06 PDT)
[AMBER] making bond to water molecule
- Bill Ross (Sun Sep 19 2010 - 13:45:16 PDT)
- Jorgen Simonsen (Sun Sep 19 2010 - 12:20:03 PDT)
[AMBER] MD and LES
- Carlos Simmerling (Wed Sep 01 2010 - 07:04:37 PDT)
[AMBER] MD based on 3D-RISM can be really used in AMBER11?
- case (Mon Sep 13 2010 - 06:12:33 PDT)
- kyousuke_tsumura.fujifilm.co.jp (Mon Sep 13 2010 - 04:44:46 PDT)
[AMBER] MD for large proteins
- case (Thu Sep 23 2010 - 13:04:01 PDT)
- Jason Swails (Thu Sep 23 2010 - 09:24:03 PDT)
- Laura Perissinotti (Thu Sep 23 2010 - 08:46:58 PDT)
[AMBER] MD on an array of small molecules
- case (Wed Sep 22 2010 - 13:07:43 PDT)
- Joe Bozell (Wed Sep 22 2010 - 11:20:36 PDT)
[AMBER] memory allocation problem?
- Seibold, Stephen (Sun Sep 12 2010 - 13:23:29 PDT)
- Daniel Roe (Sun Sep 12 2010 - 12:31:02 PDT)
- Seibold, Stephen (Sun Sep 12 2010 - 09:21:43 PDT)
[AMBER] Memory test con GTX 470
- Scott Le Grand (Sun Sep 12 2010 - 20:15:11 PDT)
- Sergio R Aragon (Sun Sep 12 2010 - 08:00:54 PDT)
[AMBER] Minimization terminated without any output
- case (Mon Sep 20 2010 - 18:17:05 PDT)
- xue wang (Mon Sep 20 2010 - 13:31:43 PDT)
- case (Sun Sep 19 2010 - 14:07:26 PDT)
- xue wang (Sun Sep 19 2010 - 08:07:48 PDT)
[AMBER] Minimum Energy Conformational Structures of Saccharides in Solution
- Sushil Mishra (Thu Sep 23 2010 - 21:36:10 PDT)
- Lachele Foley (Lists) (Thu Sep 23 2010 - 15:10:00 PDT)
- Sushil Mishra (Thu Sep 23 2010 - 03:21:21 PDT)
[AMBER] Missing atom types between leaprc.ff99SB and parm99.dat
- case (Wed Sep 29 2010 - 12:24:03 PDT)
- Christopher Roberts (Mon Sep 27 2010 - 12:29:01 PDT)
[AMBER] missing parameters (dihe) in parm10.dat?
- Alan (Thu Sep 30 2010 - 05:34:38 PDT)
- Alan (Thu Sep 30 2010 - 03:11:26 PDT)
- Jason Swails (Wed Sep 29 2010 - 05:52:06 PDT)
- Alan (Wed Sep 29 2010 - 04:50:15 PDT)
- case (Sun Sep 26 2010 - 06:56:21 PDT)
- Jason Swails (Sat Sep 25 2010 - 10:21:21 PDT)
- Alan (Sat Sep 25 2010 - 05:30:35 PDT)
- case (Fri Sep 24 2010 - 09:05:50 PDT)
- Alan (Fri Sep 24 2010 - 08:45:28 PDT)
- Jason Swails (Fri Sep 24 2010 - 07:58:30 PDT)
- Alan (Fri Sep 24 2010 - 07:42:29 PDT)
[AMBER] mixing GAFF with CHARMM
- Alan (Wed Sep 08 2010 - 14:19:59 PDT)
- Ross Walker (Wed Sep 08 2010 - 11:03:23 PDT)
- Alan (Wed Sep 08 2010 - 10:35:32 PDT)
[AMBER] MM-PBSA analysis on a protein ligand complex with 32000 atoms
- Dwight McGee (Tue Sep 21 2010 - 09:24:07 PDT)
- marta.gomes.fc.up.pt (Tue Sep 21 2010 - 08:38:20 PDT)
[AMBER] mm_pbsa fails
- xue wang (Fri Sep 17 2010 - 13:57:49 PDT)
- Bill Miller III (Fri Sep 17 2010 - 13:19:13 PDT)
- xue wang (Fri Sep 17 2010 - 13:08:43 PDT)
- Ray Luo (Wed Sep 01 2010 - 14:49:16 PDT)
- xue wang (Wed Sep 01 2010 - 13:14:11 PDT)
[AMBER] MM_PBSA fillratio error/ compiling mm_pbsa.pl
- Oliver Grant (Tue Sep 21 2010 - 04:39:35 PDT)
- Bill Miller III (Tue Sep 21 2010 - 03:53:56 PDT)
- Oliver Grant (Tue Sep 21 2010 - 03:07:28 PDT)
[AMBER] mm_pbsa nmode error
- Sangita Kachhap (Sat Sep 04 2010 - 05:07:42 PDT)
- Bill Miller III (Sat Sep 04 2010 - 04:47:35 PDT)
- Sangita Kachhap (Sat Sep 04 2010 - 04:41:33 PDT)
[AMBER] MM_PBSA stopped at the last step
- rameshwar prajapati (Sun Sep 26 2010 - 02:24:07 PDT)
- Oliver Grant (Thu Sep 23 2010 - 03:30:15 PDT)
- zhihong ke (Wed Sep 22 2010 - 08:40:34 PDT)
[AMBER] mm_pbsa.pl error for per residue decomposition.
- manoj singh (Mon Sep 20 2010 - 11:32:53 PDT)
- manoj singh (Tue Sep 14 2010 - 20:12:19 PDT)
- Jason Swails (Tue Sep 14 2010 - 20:06:28 PDT)
- manoj singh (Tue Sep 14 2010 - 19:55:57 PDT)
- Jason Swails (Tue Sep 14 2010 - 19:52:05 PDT)
- manoj singh (Tue Sep 14 2010 - 18:59:28 PDT)
[AMBER] mm_pbsa.pl frozen, hanging, stopped at end.
- Oliver Grant (Sat Sep 25 2010 - 05:15:51 PDT)
- Ray Luo (Fri Sep 24 2010 - 16:16:52 PDT)
- Oliver Grant (Thu Sep 23 2010 - 12:12:05 PDT)
[AMBER] mmpbsa problem
- Lidong Wang (Thu Sep 09 2010 - 09:43:24 PDT)
[AMBER] MMPBSA.py installation error
- Jason Swails (Sun Sep 12 2010 - 07:02:39 PDT)
- Sangita Kachhap (Sun Sep 12 2010 - 06:39:12 PDT)
- Jason Swails (Sun Sep 12 2010 - 05:21:45 PDT)
- Sangita Kachhap (Sun Sep 12 2010 - 03:59:22 PDT)
[AMBER] mmpbsa.py.mpi error
- Jason Swails (Mon Sep 27 2010 - 12:05:11 PDT)
- Anuradha Mittal (Mon Sep 27 2010 - 11:00:52 PDT)
- Bill Miller III (Mon Sep 27 2010 - 10:42:46 PDT)
- Anuradha Mittal (Mon Sep 27 2010 - 10:05:08 PDT)
[AMBER] MMPBSA.py.MPI with MVAPICH2
- Jason Swails (Thu Sep 30 2010 - 08:04:48 PDT)
- Senthil Natesan (Thu Sep 30 2010 - 06:01:37 PDT)
- Jason Swails (Wed Sep 29 2010 - 09:37:42 PDT)
- Senthil Natesan (Wed Sep 29 2010 - 09:31:39 PDT)
- Jason Swails (Wed Sep 29 2010 - 09:13:48 PDT)
- Senthil Natesan (Wed Sep 29 2010 - 08:45:59 PDT)
[AMBER] MMPBSA.py: minimization issue with nmode
- Nicolas SAPAY (Thu Sep 02 2010 - 03:07:30 PDT)
[AMBER] molecular dynamics simulation-water-box-diffution problem
- hirdesh kumar (Wed Sep 22 2010 - 02:59:39 PDT)
- Trevor Gokey (Wed Sep 22 2010 - 00:31:52 PDT)
- Ross Walker (Tue Sep 21 2010 - 22:46:59 PDT)
- hirdesh kumar (Tue Sep 21 2010 - 22:33:49 PDT)
- Trevor Gokey (Tue Sep 21 2010 - 22:22:40 PDT)
- Ye MEI (Sun Sep 19 2010 - 20:02:11 PDT)
- Rilei Yu (Sun Sep 19 2010 - 19:51:29 PDT)
[AMBER] NAMD -trajectory and amber10 mm_pbsa
- Sangita Kachhap (Tue Sep 07 2010 - 06:44:52 PDT)
[AMBER] netCDF support for mmpbsa.py + general question
- Jason Swails (Thu Sep 16 2010 - 13:53:48 PDT)
- Trevor Gokey (Thu Sep 16 2010 - 13:36:58 PDT)
- Jason Swails (Thu Sep 16 2010 - 11:39:14 PDT)
- Trevor Gokey (Thu Sep 16 2010 - 11:12:22 PDT)
[AMBER] Neutralization of the system by Na+ or Cl- ions are needed or not for constant pH MD simulation
- case (Fri Sep 24 2010 - 05:41:14 PDT)
- Carlos Simmerling (Fri Sep 24 2010 - 05:38:04 PDT)
- nicholus bhattacharjee (Fri Sep 24 2010 - 05:33:54 PDT)
[AMBER] NMR multiple structures
- Baptiste Legrand (Thu Sep 16 2010 - 10:23:04 PDT)
- case (Thu Sep 16 2010 - 09:19:06 PDT)
- Baptiste Legrand (Thu Sep 16 2010 - 07:27:46 PDT)
- Baptiste Legrand (Wed Sep 15 2010 - 06:36:48 PDT)
- Jason Swails (Wed Sep 15 2010 - 05:55:19 PDT)
- Baptiste Legrand (Wed Sep 15 2010 - 05:33:45 PDT)
- Bill Ross (Wed Sep 08 2010 - 10:06:27 PDT)
- Baptiste Legrand (Wed Sep 08 2010 - 09:55:37 PDT)
- Bill Ross (Tue Sep 07 2010 - 10:49:35 PDT)
- case (Tue Sep 07 2010 - 09:54:33 PDT)
- Baptiste Legrand (Tue Sep 07 2010 - 09:45:36 PDT)
- Jason Swails (Tue Sep 07 2010 - 08:31:41 PDT)
- Baptiste Legrand (Tue Sep 07 2010 - 07:09:48 PDT)
- case (Tue Sep 07 2010 - 05:03:14 PDT)
- Jason Swails (Tue Sep 07 2010 - 04:38:37 PDT)
- Baptiste Legrand (Tue Sep 07 2010 - 02:30:05 PDT)
[AMBER] NMR refinement in explicite water
- Daniel Roe (Thu Sep 30 2010 - 10:57:03 PDT)
- Baptiste Legrand (Thu Sep 30 2010 - 04:55:33 PDT)
- Daniel Roe (Wed Sep 29 2010 - 07:54:09 PDT)
- Baptiste Legrand (Wed Sep 29 2010 - 06:15:03 PDT)
[AMBER] Nudge elastic band, DNA Replica temperature does not go to zero.
- Abhishek Singh (Sun Sep 19 2010 - 11:50:01 PDT)
- Carlos Simmerling (Sat Sep 18 2010 - 18:16:24 PDT)
- Abhishek Singh (Sat Sep 18 2010 - 17:52:52 PDT)
- Carlos Simmerling (Sat Sep 18 2010 - 17:37:40 PDT)
- Abhishek Singh (Sat Sep 18 2010 - 17:34:56 PDT)
- Abhishek Singh (Sat Sep 18 2010 - 17:28:53 PDT)
- Carlos Simmerling (Sat Sep 18 2010 - 17:24:47 PDT)
- Abhishek Singh (Sat Sep 18 2010 - 17:08:47 PDT)
- Carlos Simmerling (Sat Sep 18 2010 - 15:18:39 PDT)
- Abhishek Singh (Fri Sep 17 2010 - 14:54:20 PDT)
- Carlos Simmerling (Thu Sep 16 2010 - 09:42:22 PDT)
- Abhishek Singh (Thu Sep 16 2010 - 09:28:53 PDT)
- Abhishek Singh (Thu Sep 16 2010 - 09:21:17 PDT)
[AMBER] Nvidia driver bug for GTX400 series gpu's
- Sergio R Aragon (Sun Sep 05 2010 - 13:55:01 PDT)
- Scott Le Grand (Sat Sep 04 2010 - 10:49:26 PDT)
- Ross Walker (Sat Sep 04 2010 - 10:35:51 PDT)
- Scott Le Grand (Sat Sep 04 2010 - 09:57:11 PDT)
- Scott Le Grand (Sat Sep 04 2010 - 09:48:30 PDT)
- Sergio R Aragon (Fri Sep 03 2010 - 19:35:19 PDT)
[AMBER] Nvidia driver bug for GTX400 series gpu's/update 1
- Sergio R Aragon (Sun Sep 05 2010 - 21:34:43 PDT)
[AMBER] on gas phase energies calculation
- pxq (Mon Sep 20 2010 - 07:55:38 PDT)
[AMBER] parameters of SEP and TPO can't match SEP TPO
- Anselm Horn (Wed Sep 29 2010 - 01:08:01 PDT)
- Daniel Roe (Tue Sep 28 2010 - 08:42:37 PDT)
- fancy2012 (Tue Sep 28 2010 - 06:36:10 PDT)
- fancy2012 (Tue Sep 28 2010 - 01:46:00 PDT)
- Anselm Horn (Tue Sep 28 2010 - 00:41:53 PDT)
- fancy2012 (Mon Sep 27 2010 - 20:14:23 PDT)
[AMBER] PB warning in pb_miccg
- 宋德寿 (Wed Sep 01 2010 - 18:35:52 PDT)
- 宋德寿 (Wed Sep 01 2010 - 18:34:17 PDT)
- Ray Luo (Wed Sep 01 2010 - 09:30:43 PDT)
- Bill Miller III (Wed Sep 01 2010 - 05:20:10 PDT)
- 宋德寿 (Tue Aug 31 2010 - 22:32:21 PDT)
- 宋德寿 (Tue Aug 31 2010 - 22:30:38 PDT)
[AMBER] phenylalanine amide
- FyD (Fri Sep 03 2010 - 11:12:31 PDT)
- Francesco Pietra (Fri Sep 03 2010 - 03:01:34 PDT)
- FyD (Thu Sep 02 2010 - 11:43:07 PDT)
[AMBER] Phosphate group treatment
- shweta (Sun Sep 26 2010 - 21:39:57 PDT)
- case (Sun Sep 26 2010 - 06:49:43 PDT)
- shweta (Sun Sep 26 2010 - 01:32:45 PDT)
[AMBER] PMEMD 10 on OpenMPI with Intel compiler issues
- case (Thu Sep 23 2010 - 08:26:00 PDT)
- Jason Swails (Thu Sep 23 2010 - 08:07:57 PDT)
- CHAMI F. (Thu Sep 23 2010 - 07:28:01 PDT)
[AMBER] pmemd 11 (parallel) compilation error
- Paul S. Nerenberg (Sat Sep 11 2010 - 16:04:48 PDT)
- Ross Walker (Sat Sep 11 2010 - 10:09:11 PDT)
- Paul S. Nerenberg (Fri Sep 10 2010 - 17:21:54 PDT)
- Paul S. Nerenberg (Fri Sep 10 2010 - 17:03:45 PDT)
- Jason Swails (Fri Sep 10 2010 - 17:03:41 PDT)
- Ross Walker (Fri Sep 10 2010 - 16:46:35 PDT)
- Paul S. Nerenberg (Fri Sep 10 2010 - 16:27:25 PDT)
[AMBER] pmemd installation
- colvin (Mon Sep 13 2010 - 05:01:33 PDT)
- Jason Swails (Sun Sep 12 2010 - 19:18:26 PDT)
- colvin (Sun Sep 12 2010 - 18:56:36 PDT)
- Jason Swails (Sun Sep 12 2010 - 18:50:51 PDT)
- colvin (Sun Sep 12 2010 - 18:36:02 PDT)
- Jason Swails (Thu Sep 09 2010 - 06:10:55 PDT)
- colvin (Thu Sep 09 2010 - 02:36:10 PDT)
- Per Jr. Greisen (Thu Sep 09 2010 - 02:19:13 PDT)
- colvin (Thu Sep 09 2010 - 02:04:17 PDT)
[AMBER] pmemd performance
- michael bane (Wed Sep 22 2010 - 06:28:30 PDT)
- Gustavo Seabra (Wed Sep 22 2010 - 06:03:25 PDT)
- case (Wed Sep 22 2010 - 05:09:01 PDT)
- colvin (Wed Sep 22 2010 - 01:02:13 PDT)
[AMBER] PMEMD with CUDA support for Windows?
- Ross Walker (Sun Sep 12 2010 - 12:37:38 PDT)
- Thomas Patko (Sun Sep 12 2010 - 06:35:59 PDT)
[AMBER] pmemd.cuda error with group restraint
- Ross Walker (Thu Sep 30 2010 - 17:35:12 PDT)
[AMBER] pmemd.cuda errors on GTX400 series cards - USER POLL
- Christophe Deprez (Thu Sep 09 2010 - 09:11:45 PDT)
- Sasha Buzko (Sun Sep 05 2010 - 15:47:41 PDT)
[AMBER] pmemd.MPI problem
- Ben Roberts (Fri Sep 17 2010 - 05:23:43 PDT)
- George Tzotzos (Fri Sep 17 2010 - 04:45:06 PDT)
- Jason Swails (Thu Sep 16 2010 - 11:45:52 PDT)
- George Tzotzos (Thu Sep 16 2010 - 11:27:40 PDT)
- Jason Swails (Thu Sep 16 2010 - 10:50:28 PDT)
- Jason Swails (Thu Sep 16 2010 - 10:47:15 PDT)
- George Tzotzos (Thu Sep 16 2010 - 10:46:23 PDT)
- George Tzotzos (Thu Sep 16 2010 - 10:35:10 PDT)
[AMBER] prep file
- Andrei Neamtu (Thu Sep 30 2010 - 04:26:29 PDT)
- Bill Ross (Wed Sep 29 2010 - 09:14:37 PDT)
- case (Wed Sep 29 2010 - 05:16:15 PDT)
- Andrei Neamtu (Tue Sep 28 2010 - 23:33:35 PDT)
[AMBER] Pressure in bar or atm?
- case (Sun Sep 19 2010 - 14:52:14 PDT)
- Ben Roberts (Fri Sep 17 2010 - 14:19:27 PDT)
- case (Wed Sep 15 2010 - 05:19:50 PDT)
- Ben Roberts (Mon Sep 13 2010 - 13:01:46 PDT)
[AMBER] printing rdc violations
- case (Sat Sep 04 2010 - 08:01:26 PDT)
- Eliana Asciutto (Fri Sep 03 2010 - 09:40:54 PDT)
[AMBER] problem of GTX470 running pmemd.cuda_DPDP/input file access provided
- Ross Walker (Thu Sep 09 2010 - 09:16:22 PDT)
- Sasha Buzko (Wed Sep 08 2010 - 14:17:52 PDT)
- Ross Walker (Wed Sep 08 2010 - 14:02:03 PDT)
- Scott Le Grand (Wed Sep 08 2010 - 13:55:06 PDT)
- Sasha Buzko (Wed Sep 08 2010 - 13:43:10 PDT)
- Scott Le Grand (Wed Sep 08 2010 - 12:52:13 PDT)
- Sergio R Aragon (Wed Sep 08 2010 - 11:34:51 PDT)
[AMBER] problem of GTX480 running pmemd.cuda
- Sasha Buzko (Mon Sep 06 2010 - 18:46:06 PDT)
- Yi Xue (Mon Sep 06 2010 - 18:28:03 PDT)
- Ross Walker (Mon Sep 06 2010 - 17:54:10 PDT)
- Yi Xue (Mon Sep 06 2010 - 14:44:24 PDT)
- Sasha Buzko (Mon Sep 06 2010 - 14:20:37 PDT)
- Yi Xue (Mon Sep 06 2010 - 08:23:18 PDT)
[AMBER] problem of nmode calculation
- Jason Swails (Fri Sep 17 2010 - 19:09:32 PDT)
- fancy2012 (Fri Sep 17 2010 - 19:01:21 PDT)
[AMBER] problem with AMOEBA force field
- case (Thu Sep 23 2010 - 12:59:42 PDT)
- Igor Sizov (Thu Sep 23 2010 - 12:16:05 PDT)
[AMBER] problem with MMPBSA
- juzer stationwala (Wed Sep 29 2010 - 03:54:00 PDT)
- Jason Swails (Tue Sep 28 2010 - 07:07:43 PDT)
- Sushil Mishra (Tue Sep 28 2010 - 05:23:54 PDT)
- juzer stationwala (Tue Sep 28 2010 - 05:13:53 PDT)
- Sushil Mishra (Mon Sep 27 2010 - 04:54:40 PDT)
- Bill Miller III (Mon Sep 27 2010 - 04:53:08 PDT)
- juzer stationwala (Mon Sep 27 2010 - 04:48:54 PDT)
- Jason Swails (Mon Sep 27 2010 - 04:36:27 PDT)
- juzer stationwala (Mon Sep 27 2010 - 04:25:31 PDT)
- Jason Swails (Mon Sep 27 2010 - 04:11:42 PDT)
- juzer stationwala (Mon Sep 27 2010 - 03:55:54 PDT)
- Bill Miller III (Mon Sep 27 2010 - 03:48:00 PDT)
- juzer stationwala (Mon Sep 27 2010 - 03:42:31 PDT)
- Oliver Grant (Sun Sep 26 2010 - 08:29:01 PDT)
- juzer stationwala (Sun Sep 26 2010 - 07:45:55 PDT)
[AMBER] problems compiling amber10
- Jeffrey Sanders (Tue Sep 21 2010 - 11:57:58 PDT)
- case (Tue Sep 21 2010 - 09:55:43 PDT)
- Jeffrey Sanders (Tue Sep 21 2010 - 09:28:29 PDT)
[AMBER] Problems with Amber 8 PMEMD
- Su Qiu (Sun Sep 26 2010 - 18:11:48 PDT)
- Su Qiu (Sat Sep 25 2010 - 18:59:10 PDT)
- Bill Ross (Sat Sep 25 2010 - 11:48:34 PDT)
- case (Sat Sep 25 2010 - 06:10:27 PDT)
- Su Qiu (Sat Sep 25 2010 - 01:39:22 PDT)
- case (Tue Sep 21 2010 - 04:23:18 PDT)
- Su Qiu (Tue Sep 21 2010 - 00:06:08 PDT)
[AMBER] problems with xleap
- case (Tue Sep 21 2010 - 04:28:23 PDT)
- Rossella Noschese (Tue Sep 21 2010 - 00:59:34 PDT)
- Jason Swails (Mon Sep 20 2010 - 03:39:54 PDT)
- Rossella Noschese (Mon Sep 20 2010 - 03:13:12 PDT)
- Rossella Noschese (Mon Sep 20 2010 - 02:55:42 PDT)
[AMBER] ptraj clustering for long trajetories
- Senthil Natesan (Fri Sep 17 2010 - 07:51:18 PDT)
[AMBER] PTRAJ Hbond analysis
- George Tzotzos (Mon Sep 20 2010 - 02:56:18 PDT)
- rameshwar prajapati (Sun Sep 19 2010 - 00:20:54 PDT)
- Alexander Metz (Mon Sep 13 2010 - 07:38:12 PDT)
- George Tzotzos (Mon Sep 13 2010 - 06:55:13 PDT)
[AMBER] ptraj image, overlap of molecules
- Nadine Utz (Mon Sep 13 2010 - 07:22:57 PDT)
[AMBER] PTRAJ residue naming problem.
- Bill Ross (Fri Sep 10 2010 - 11:46:07 PDT)
- Kevin Hauser (Fri Sep 10 2010 - 11:42:16 PDT)
- Jason Swails (Fri Sep 10 2010 - 11:32:03 PDT)
- Hoshin Kim (Fri Sep 10 2010 - 11:26:31 PDT)
[AMBER] ptraj, unit cell wrapping and velocities
- Ben Roberts (Wed Sep 29 2010 - 10:59:42 PDT)
- case (Wed Sep 29 2010 - 04:32:22 PDT)
- Ben Roberts (Tue Sep 28 2010 - 13:23:36 PDT)
[AMBER] ptraj-problem
- Jason Swails (Sat Sep 04 2010 - 05:44:28 PDT)
- Rilei Yu (Fri Sep 03 2010 - 18:04:38 PDT)
[AMBER] Quasiharmonic Analysis
- case (Tue Sep 07 2010 - 05:01:52 PDT)
- Tyler Glembo (Mon Sep 06 2010 - 22:55:40 PDT)
[AMBER] Query about restraint minimization
- case (Sat Sep 25 2010 - 06:02:02 PDT)
- hirdesh kumar (Sat Sep 25 2010 - 00:53:57 PDT)
[AMBER] Query regarding Hydrogen Bond Duration map
- hirdesh kumar (Wed Sep 22 2010 - 02:53:04 PDT)
[AMBER] Query regarding the Hydrogen Bond duration analysis
- hirdesh kumar (Wed Sep 08 2010 - 03:37:14 PDT)
- monica.imtech.res.in (Wed Sep 08 2010 - 03:16:35 PDT)
- hirdesh kumar (Tue Sep 07 2010 - 07:17:02 PDT)
[AMBER] Question about Heating and equilibration protocol?
- Bill Ross (Mon Sep 13 2010 - 11:23:02 PDT)
- manikanthan bhavaraju (Mon Sep 13 2010 - 11:05:48 PDT)
- case (Mon Sep 13 2010 - 11:04:09 PDT)
- M. Reza Ganjalikhany (Mon Sep 13 2010 - 10:25:36 PDT)
[AMBER] QUESTION ON AMBER WORKSHOP or SYMPOSIUM
- Indrajit Deb (Thu Sep 02 2010 - 23:47:37 PDT)
[AMBER] question on diffusion comand in ptraj
- Andrew Voronkov (Sun Sep 12 2010 - 13:54:10 PDT)
[AMBER] Question on simulation
- Jiang Yusheng (Wed Sep 29 2010 - 09:43:43 PDT)
- Bill Ross (Wed Sep 29 2010 - 09:32:40 PDT)
- case (Wed Sep 29 2010 - 07:53:18 PDT)
- Guoxiong Su (Wed Sep 29 2010 - 07:16:42 PDT)
- Jiang Yusheng (Wed Sep 29 2010 - 07:07:58 PDT)
- Bill Ross (Tue Sep 28 2010 - 20:01:56 PDT)
- Jason Swails (Tue Sep 28 2010 - 17:53:59 PDT)
- Jiang Yusheng (Tue Sep 28 2010 - 15:14:16 PDT)
[AMBER] Questions on Minimization
- Jason Swails (Fri Sep 10 2010 - 14:50:51 PDT)
- Jiang Yusheng (Fri Sep 10 2010 - 14:19:20 PDT)
- Jason Swails (Fri Sep 10 2010 - 14:14:23 PDT)
- Kevin Hauser (Fri Sep 10 2010 - 14:13:03 PDT)
- Jiang Yusheng (Fri Sep 10 2010 - 14:10:27 PDT)
- Jason Swails (Fri Sep 10 2010 - 12:32:04 PDT)
- Jiang Yusheng (Fri Sep 10 2010 - 12:21:20 PDT)
[AMBER] read the traj file to analyzing hbonds
- Daniel Roe (Tue Sep 07 2010 - 05:52:50 PDT)
- Ehsan Habibi (Mon Sep 06 2010 - 07:15:35 PDT)
- Daniel Roe (Mon Sep 06 2010 - 06:06:33 PDT)
- Ehsan Habibi (Sun Sep 05 2010 - 10:47:47 PDT)
[AMBER] Regarding atomic charges in parmtop file
- aneesh cna (Sun Sep 19 2010 - 21:11:59 PDT)
- Jason Swails (Sat Sep 18 2010 - 07:32:55 PDT)
- Alessandro Nascimento (Sat Sep 18 2010 - 05:35:18 PDT)
- aneesh cna (Sat Sep 18 2010 - 03:26:37 PDT)
[AMBER] regarding wham analysis
- Daniel Sindhikara (Mon Sep 13 2010 - 21:24:53 PDT)
- jani vinod (Mon Sep 13 2010 - 20:11:11 PDT)
- Carlos Simmerling (Mon Sep 13 2010 - 05:40:57 PDT)
- jani vinod (Mon Sep 13 2010 - 05:37:25 PDT)
- Carlos Simmerling (Mon Sep 13 2010 - 04:46:58 PDT)
- jani vinod (Mon Sep 13 2010 - 04:45:13 PDT)
[AMBER] remd coordinate output
- Jorgen Simonsen (Mon Sep 13 2010 - 07:06:09 PDT)
- Carlos Simmerling (Mon Sep 13 2010 - 05:45:50 PDT)
- Jorgen Simonsen (Mon Sep 13 2010 - 04:35:26 PDT)
- Adrian Roitberg (Mon Sep 13 2010 - 04:13:24 PDT)
- Carlos Simmerling (Mon Sep 13 2010 - 04:09:42 PDT)
- Jorgen Simonsen (Mon Sep 13 2010 - 04:04:23 PDT)
- Carlos Simmerling (Mon Sep 13 2010 - 03:41:30 PDT)
- Jorgen Simonsen (Mon Sep 13 2010 - 03:19:43 PDT)
[AMBER] Residue name problem in PTRAJ
- Fredrick Devadoss (Tue Aug 31 2010 - 23:47:25 PDT)
[AMBER] Residues with multiple conformations
- Sergio R Aragon (Tue Sep 14 2010 - 08:09:09 PDT)
- Alexander Metz (Tue Sep 14 2010 - 07:55:40 PDT)
- George Tzotzos (Tue Sep 14 2010 - 06:54:15 PDT)
[AMBER] RESP calculation using non-Gaussian software?
- FyD (Fri Sep 10 2010 - 23:14:05 PDT)
- Jason Swails (Fri Sep 10 2010 - 18:12:40 PDT)
- Ilyas Yildirim (Fri Sep 10 2010 - 17:51:11 PDT)
[AMBER] Restrainmask problem
- xue wang (Sat Sep 18 2010 - 19:19:46 PDT)
- xue wang (Sat Sep 18 2010 - 19:14:31 PDT)
- Jason Swails (Fri Sep 17 2010 - 20:49:14 PDT)
- xue wang (Fri Sep 17 2010 - 20:08:54 PDT)
[AMBER] Restraint of atom distance during minimization
- Jason Swails (Fri Sep 17 2010 - 04:17:17 PDT)
- tong Zhu (Thu Sep 16 2010 - 23:32:06 PDT)
[AMBER] Restraints for Glycan in REMD
- Lekpa Duukori (Thu Sep 09 2010 - 09:43:10 PDT)
- Lachele Foley (Lists) (Thu Sep 09 2010 - 09:09:19 PDT)
- Lekpa Duukori (Thu Sep 09 2010 - 08:24:06 PDT)
[AMBER] restraints in pmemd.cuda
- Ross Walker (Sat Sep 18 2010 - 07:52:35 PDT)
- Scott Le Grand (Fri Sep 17 2010 - 17:11:11 PDT)
- Sasha Buzko (Fri Sep 17 2010 - 15:55:15 PDT)
[AMBER] rmsd of a subunit I w.r.t subunit II
- Thomas Cheatham III (Wed Sep 29 2010 - 14:33:47 PDT)
- moitrayee.mbu.iisc.ernet.in (Mon Sep 27 2010 - 03:04:54 PDT)
[AMBER] Running MM-PBSA at different temperatures
- Jason Swails (Tue Sep 21 2010 - 07:59:35 PDT)
- Khaled Barakat (Mon Sep 20 2010 - 21:41:48 PDT)
- manoj singh (Mon Sep 20 2010 - 21:37:01 PDT)
- manoj singh (Mon Sep 20 2010 - 21:32:31 PDT)
- Khaled Barakat (Mon Sep 20 2010 - 20:19:11 PDT)
- manoj singh (Mon Sep 20 2010 - 19:22:58 PDT)
- Thomas Cheatham (Mon Sep 20 2010 - 19:04:14 PDT)
- manoj singh (Mon Sep 20 2010 - 18:52:59 PDT)
- Khaled Barakat (Mon Sep 20 2010 - 18:44:08 PDT)
- manoj singh (Mon Sep 20 2010 - 18:29:25 PDT)
- Khaled Barakat (Mon Sep 20 2010 - 17:39:53 PDT)
[AMBER] running pmemd fails
- Daniel Roe (Thu Sep 30 2010 - 06:04:33 PDT)
- Vijay Manickam Achari (Wed Sep 29 2010 - 23:25:55 PDT)
- case (Wed Sep 29 2010 - 04:39:55 PDT)
- Vijay Manickam Achari (Tue Sep 28 2010 - 20:36:03 PDT)
- Vijay Manickam Achari (Tue Sep 28 2010 - 19:37:08 PDT)
- Paul S. Nerenberg (Tue Sep 28 2010 - 10:39:32 PDT)
- Kevin Hauser (Tue Sep 28 2010 - 09:38:14 PDT)
- case (Tue Sep 28 2010 - 04:55:47 PDT)
- Vijay Manickam Achari (Tue Sep 28 2010 - 02:08:26 PDT)
[AMBER] sander gb post-processing fail
- Trevor Gokey (Mon Sep 27 2010 - 14:25:16 PDT)
[AMBER] Sander/pmemd usage: refc question
- mdkvia.yahoo.com (Thu Sep 16 2010 - 14:01:36 PDT)
- Jason Swails (Thu Sep 16 2010 - 13:36:27 PDT)
- Scott Le Grand (Thu Sep 16 2010 - 13:23:59 PDT)
- mdkvia.yahoo.com (Thu Sep 16 2010 - 13:05:35 PDT)
- Jason Swails (Thu Sep 16 2010 - 12:23:34 PDT)
- mdkvia.yahoo.com (Thu Sep 16 2010 - 12:10:39 PDT)
[AMBER] set coordinate axis
- Jason Swails (Tue Sep 14 2010 - 10:43:24 PDT)
- eduardo.troche.uvigo.es (Tue Sep 14 2010 - 07:09:27 PDT)
[AMBER] Shake errors
- case (Thu Sep 23 2010 - 13:02:20 PDT)
- Bill Ross (Thu Sep 23 2010 - 12:14:16 PDT)
- Justine Shaw (Thu Sep 23 2010 - 09:01:47 PDT)
[AMBER] significance of time-average or representative structures from MD
- Senthil Natesan (Mon Sep 06 2010 - 14:13:18 PDT)
- Jason Swails (Sun Sep 05 2010 - 19:28:49 PDT)
- Senthil Natesan (Sun Sep 05 2010 - 11:01:55 PDT)
[AMBER] sleap error
- manoj singh (Fri Sep 10 2010 - 13:07:43 PDT)
- Jason Swails (Fri Sep 10 2010 - 12:56:38 PDT)
- manoj singh (Fri Sep 10 2010 - 12:55:27 PDT)
- Jason Swails (Fri Sep 10 2010 - 12:51:12 PDT)
- manoj singh (Fri Sep 10 2010 - 12:47:57 PDT)
[AMBER] Solvent accessible surface of certain residues
- hirdesh kumar (Tue Sep 28 2010 - 21:46:35 PDT)
- Daniel Roe (Tue Sep 28 2010 - 09:03:45 PDT)
- hirdesh kumar (Tue Sep 28 2010 - 02:52:58 PDT)
[AMBER] spc/e water
- subrata paul (Thu Sep 30 2010 - 01:29:16 PDT)
[AMBER] Symposium on Accelerating Biology
- Kshatresh Dutta Dubey (Thu Sep 02 2010 - 23:50:48 PDT)
- vhakkim boy (Thu Sep 02 2010 - 23:48:38 PDT)
- Indrajit Deb (Thu Sep 02 2010 - 23:44:55 PDT)
- jani vinod (Thu Sep 02 2010 - 22:10:37 PDT)
[AMBER] TI-Problems
- Kirsten Heitmann (Thu Sep 30 2010 - 09:52:47 PDT)
- case (Thu Sep 30 2010 - 06:35:46 PDT)
- Kirsten Heitmann (Thu Sep 30 2010 - 00:14:20 PDT)
[AMBER] tLeap memory leak
- Bill Ross (Thu Sep 30 2010 - 09:49:41 PDT)
- Jason Swails (Thu Sep 30 2010 - 06:00:42 PDT)
- Martin Brieg (Thu Sep 30 2010 - 04:48:00 PDT)
- Bill Ross (Wed Sep 29 2010 - 09:26:46 PDT)
- Jason Swails (Wed Sep 29 2010 - 06:46:30 PDT)
- Jason Swails (Wed Sep 29 2010 - 06:44:18 PDT)
- Martin Brieg (Wed Sep 29 2010 - 06:34:07 PDT)
[AMBER] Trivial VMD question
- Jason Swails (Wed Sep 01 2010 - 16:33:22 PDT)
- steinbrt.rci.rutgers.edu (Wed Sep 01 2010 - 09:46:14 PDT)
- Computational Chemist (Wed Sep 01 2010 - 09:30:34 PDT)
[AMBER] unit of Bfactor
- hirdesh kumar (Mon Sep 13 2010 - 23:13:01 PDT)
- Kshatresh Dutta Dubey (Mon Sep 13 2010 - 23:11:04 PDT)
- hirdesh kumar (Mon Sep 13 2010 - 23:02:44 PDT)
- Ashutosh Shandilya (Mon Sep 13 2010 - 22:52:30 PDT)
[AMBER] units of eigenvalues from pca
- case (Wed Sep 15 2010 - 05:07:14 PDT)
- moitrayee.mbu.iisc.ernet.in (Tue Sep 14 2010 - 11:43:50 PDT)
[AMBER] Using AMBER force field for ionic compounds
- Preshit Dandekar (Fri Sep 17 2010 - 06:45:41 PDT)
- Preshit Dandekar (Thu Sep 16 2010 - 12:07:36 PDT)
[AMBER] Varying restraint values on subsets of a restraint mask in sander/pmemd
- Matthew Tessier (Thu Sep 09 2010 - 07:02:48 PDT)
[AMBER] visualizing the output from PTRAJ -Cluster
- Jianyin Shao (Thu Sep 02 2010 - 16:28:37 PDT)
- Senthil Natesan (Wed Sep 01 2010 - 16:01:53 PDT)
- Jianyin Shao (Wed Sep 01 2010 - 15:21:24 PDT)
- Senthil Natesan (Wed Sep 01 2010 - 14:14:45 PDT)
[AMBER] vlimit exceeds
- case (Wed Sep 29 2010 - 11:55:34 PDT)
- Jason Swails (Wed Sep 29 2010 - 09:57:47 PDT)
- nicholus bhattacharjee (Wed Sep 29 2010 - 09:48:32 PDT)
[AMBER] Water Box Shape
- hirdesh kumar (Mon Sep 06 2010 - 02:35:24 PDT)
- Sushil Mishra (Mon Sep 06 2010 - 00:07:36 PDT)
- hirdesh kumar (Sun Sep 05 2010 - 23:17:06 PDT)
[AMBER] Water pdb parameterization
- Anthony Costa (Wed Sep 22 2010 - 13:18:43 PDT)
- case (Wed Sep 22 2010 - 13:11:47 PDT)
- Anthony Costa (Wed Sep 22 2010 - 11:58:15 PDT)
- case (Tue Sep 21 2010 - 12:36:31 PDT)
- Anthony Costa (Tue Sep 21 2010 - 08:46:10 PDT)
- case (Sun Sep 19 2010 - 11:26:11 PDT)
- Anthony Costa (Sat Sep 18 2010 - 09:58:15 PDT)
- case (Sat Sep 18 2010 - 05:49:48 PDT)
- Anthony Costa (Fri Sep 17 2010 - 13:29:01 PDT)
[AMBER] which conformation to choose
- FyD (Wed Sep 08 2010 - 04:49:43 PDT)
- asaki asaki (Mon Sep 06 2010 - 03:18:34 PDT)
[AMBER] Xplor_to_Amber
- Raman Parkesh (Wed Sep 29 2010 - 13:57:55 PDT)
- case (Wed Sep 29 2010 - 12:18:00 PDT)
- Raman Parkesh (Wed Sep 29 2010 - 11:38:14 PDT)
- case (Wed Sep 29 2010 - 07:43:11 PDT)
- Raman Parkesh (Wed Sep 29 2010 - 06:18:07 PDT)
- case (Wed Sep 29 2010 - 05:01:56 PDT)
- Raman Parkesh (Fri Sep 24 2010 - 14:56:15 PDT)
Atom type assignment for formyl group
- Carter M.K. (Wed Sep 29 2010 - 04:59:48 PDT)
MD on an array of small molecules
- Jason Swails (Fri Sep 24 2010 - 14:22:47 PDT)
- Bozell, Joseph John (Fri Sep 24 2010 - 13:55:54 PDT)
- Jason Swails (Fri Sep 24 2010 - 06:13:35 PDT)
- Bozell, Joseph John (Fri Sep 24 2010 - 06:02:08 PDT)
- M. L. Dodson (Thu Sep 23 2010 - 07:13:06 PDT)
- Bozell, Joseph John (Thu Sep 23 2010 - 06:46:02 PDT)

Amber Archive Sep 2010 by subject