Amber Archive Nov 2011: by subject

[AMBER] "force field" vs. "potential"
- Brian Radak (Tue Nov 15 2011 - 06:03:39 PST)
- Jan-Philip Gehrcke (Tue Nov 15 2011 - 03:43:09 PST)
- Ross Walker (Mon Nov 14 2011 - 11:24:28 PST)
- Dr. Vitaly V. Chaban (Mon Nov 14 2011 - 11:19:20 PST)
- Jan-Philip Gehrcke (Mon Nov 14 2011 - 11:15:47 PST)
[AMBER] 16 microsecond MD run
- David Condon (Sun Nov 13 2011 - 15:30:45 PST)
[AMBER] 1JFF Antechamber, LEaP problems
- FyD (Mon Nov 07 2011 - 07:16:30 PST)
- Matthew D Antalek (Sun Nov 06 2011 - 18:47:45 PST)
- FyD (Thu Nov 03 2011 - 01:34:31 PDT)
- case (Wed Nov 02 2011 - 18:59:07 PDT)
- case (Wed Nov 02 2011 - 18:51:08 PDT)
- Matthew D Antalek (Wed Nov 02 2011 - 15:37:37 PDT)
- Matthew D Antalek (Wed Nov 02 2011 - 14:54:35 PDT)
- Jason Swails (Wed Nov 02 2011 - 14:36:17 PDT)
- Matthew D Antalek (Wed Nov 02 2011 - 14:23:38 PDT)
[AMBER] 2 traj approach using MMPBSA.py ?
- Marek Maly (Mon Nov 21 2011 - 03:04:23 PST)
- Marek Maly (Fri Nov 18 2011 - 08:34:54 PST)
[AMBER] 2-d PMF calculation with REMD
- Yong Duan (Fri Nov 25 2011 - 10:40:07 PST)
- Daniel Sindhikara (Thu Nov 24 2011 - 22:20:54 PST)
- caobb0214 (Thu Nov 24 2011 - 21:12:27 PST)
[AMBER] 256 CPUs restriction in AmberMD?
- case (Sun Nov 06 2011 - 18:10:28 PST)
- Garo Garabedyan (Sun Nov 06 2011 - 13:06:57 PST)
[AMBER] [SOLVED] Compiling trouble of AmberTools with intel compiler v12.1.0.
- Jose Borreguero (Tue Nov 15 2011 - 07:07:37 PST)
[AMBER] About defining of a modified cytosine which is covalently bonded to the sulfer of cysteine
- Jin Yang (Thu Nov 10 2011 - 07:36:31 PST)
- FyD (Tue Nov 08 2011 - 02:43:32 PST)
- Jin Yang (Mon Nov 07 2011 - 11:16:50 PST)
[AMBER] About Mn2+ parameters in amber
- 刘吉元 (Sun Nov 06 2011 - 20:14:48 PST)
[AMBER] About RESP fitting
- FyD (Sun Nov 06 2011 - 03:02:32 PST)
- case (Sat Nov 05 2011 - 07:07:53 PDT)
- gunajyoti das (Sat Nov 05 2011 - 05:36:52 PDT)
[AMBER] adding a phosphate group to a protein
- Marc van der Kamp (Mon Nov 28 2011 - 01:08:14 PST)
- Petit, Chad (Sun Nov 27 2011 - 18:07:09 PST)
[AMBER] addles "old coordinate file not specified"
- Jennifer Brookes (Wed Nov 09 2011 - 14:49:52 PST)
- Bill Ross (Wed Nov 09 2011 - 08:39:17 PST)
- Jan-Philip Gehrcke (Wed Nov 09 2011 - 08:34:30 PST)
- Jenny C Brookes (Wed Nov 09 2011 - 08:06:04 PST)
- David A Case (Wed Nov 09 2011 - 07:07:49 PST)
- Carlos Simmerling (Wed Nov 09 2011 - 06:53:16 PST)
- Jennifer Brookes (Wed Nov 09 2011 - 06:50:51 PST)
- Carlos Simmerling (Wed Nov 09 2011 - 06:36:29 PST)
- Bill Ross (Tue Nov 08 2011 - 15:15:19 PST)
- Jenny C Brookes (Tue Nov 08 2011 - 10:16:41 PST)
- Jennifer Brookes (Tue Nov 08 2011 - 10:11:15 PST)
- Carlos Simmerling (Tue Nov 08 2011 - 09:19:39 PST)
- Bill Ross (Tue Nov 08 2011 - 08:42:05 PST)
- Jenny C Brookes (Tue Nov 08 2011 - 08:10:59 PST)
- Carlos Simmerling (Tue Nov 08 2011 - 07:17:00 PST)
- Jennifer Brookes (Mon Nov 07 2011 - 12:13:03 PST)
- Carlos Simmerling (Mon Nov 07 2011 - 10:37:50 PST)
- Jennifer Brookes (Mon Nov 07 2011 - 10:01:28 PST)
- Carlos Simmerling (Mon Nov 07 2011 - 09:29:18 PST)
- Jennifer Brookes (Mon Nov 07 2011 - 09:25:50 PST)
[AMBER] alpha helix structure consist of Alanine
- Bill Ross (Wed Nov 23 2011 - 11:11:00 PST)
- Carlos Simmerling (Wed Nov 23 2011 - 08:57:53 PST)
- Tong Zhu (Wed Nov 23 2011 - 06:47:45 PST)
[AMBER] AMBER
- Shesh Nath (Wed Nov 09 2011 - 02:20:28 PST)
[AMBER] amber - TUTORIAL A9
- steinbrt.rci.rutgers.edu (Wed Nov 30 2011 - 08:20:53 PST)
- Atila Petrosian (Wed Nov 30 2011 - 05:49:20 PST)
- steinbrt.rci.rutgers.edu (Wed Nov 30 2011 - 04:29:34 PST)
- Atila Petrosian (Tue Nov 29 2011 - 06:56:52 PST)
[AMBER] AMBER 11 (Problem with the input format)
- Jason Swails (Fri Nov 11 2011 - 10:13:12 PST)
- Fernando Blanco (Fri Nov 11 2011 - 05:12:56 PST)
- Fernando Blanco (Fri Nov 11 2011 - 05:09:44 PST)
- case (Fri Nov 11 2011 - 04:59:23 PST)
- Fernando Blanco (Fri Nov 11 2011 - 04:40:30 PST)
[AMBER] AMBER Survey C2075 Winners
- Ross Walker (Mon Nov 07 2011 - 16:36:28 PST)
[AMBER] AMBER9 in GPU
- Jason Swails (Mon Nov 07 2011 - 20:09:29 PST)
- Vijay Manickam Achari (Mon Nov 07 2011 - 20:01:29 PST)
[AMBER] amber99sb in AMBER vs amber99sb in GROMACS or NAMD
- Oliver Grant (Tue Nov 22 2011 - 02:01:43 PST)
- George M Giambasu (Mon Nov 21 2011 - 12:58:59 PST)
- Thomas Evangelidis (Mon Nov 21 2011 - 12:00:50 PST)
[AMBER] AmberTools 1.5 build fails due to undefined symbols in libnetcdf.a
- Jan-Philip Gehrcke (Fri Nov 04 2011 - 05:47:46 PDT)
- Jason Swails (Thu Nov 03 2011 - 08:14:38 PDT)
- Daniel Roe (Thu Nov 03 2011 - 07:43:55 PDT)
- Jan-Philip Gehrcke (Thu Nov 03 2011 - 06:59:42 PDT)
- Jan-Philip Gehrcke (Wed Nov 02 2011 - 08:18:10 PDT)
- Jason Swails (Wed Nov 02 2011 - 08:12:21 PDT)
- Jan-Philip Gehrcke (Wed Nov 02 2011 - 08:07:17 PDT)
- Jan-Philip Gehrcke (Wed Nov 02 2011 - 03:48:29 PDT)
- Daniel Roe (Tue Nov 01 2011 - 19:41:12 PDT)
- Jason Swails (Tue Nov 01 2011 - 16:20:28 PDT)
- Jan-Philip Gehrcke (Tue Nov 01 2011 - 15:52:04 PDT)
- Ross Walker (Tue Nov 01 2011 - 14:49:01 PDT)
- Jan-Philip Gehrcke (Tue Nov 01 2011 - 14:38:21 PDT)
- Jan-Philip Gehrcke (Tue Nov 01 2011 - 13:45:51 PDT)
[AMBER] AmberTools 1.5 compilation: Error importing cpinutil.py python modules! cpinutil will not work
- Vlad Cojocaru (Tue Nov 22 2011 - 11:16:02 PST)
- Vlad Cojocaru (Tue Nov 22 2011 - 11:11:11 PST)
- Jason Swails (Tue Nov 22 2011 - 10:26:35 PST)
- Vlad Cojocaru (Tue Nov 22 2011 - 08:02:02 PST)
- Jason Swails (Tue Nov 22 2011 - 07:27:13 PST)
- Vlad Cojocaru (Tue Nov 22 2011 - 06:28:24 PST)
- Vlad Cojocaru (Tue Nov 22 2011 - 06:00:02 PST)
- Jason Swails (Tue Nov 22 2011 - 04:20:38 PST)
- Vlad Cojocaru (Tue Nov 22 2011 - 02:27:22 PST)
[AMBER] ambertools 1.5 compiling ERROR: Return type mismatch of function 'cgalf' at (1) (REAL(8)/REAL(4))
- Jose Borreguero (Tue Nov 15 2011 - 08:15:14 PST)
- David A Case (Tue Nov 15 2011 - 08:08:06 PST)
- Jose Borreguero (Tue Nov 15 2011 - 05:44:22 PST)
[AMBER] AmberTools1.5 install problems on Mac OS X 10.7.2
- Jason Swails (Tue Nov 08 2011 - 20:23:23 PST)
- Frank Barry (Tue Nov 08 2011 - 17:01:56 PST)
- Jason Swails (Tue Nov 08 2011 - 14:47:00 PST)
- Frank Barry (Tue Nov 08 2011 - 12:30:58 PST)
[AMBER] anisotropic NPT simulation
- Benjamin D Madej (Sat Nov 05 2011 - 17:53:26 PDT)
- Giovanni Pavan (Sat Nov 05 2011 - 11:16:30 PDT)
[AMBER] antechamber error
- David A Case (Wed Nov 30 2011 - 05:08:22 PST)
- kureeckal ramesh (Tue Nov 29 2011 - 22:30:14 PST)
[AMBER] antechamber solvent
- Алексей Раевский (Mon Nov 28 2011 - 07:51:08 PST)
- David A Case (Mon Nov 28 2011 - 06:38:05 PST)
- Алексей Раевский (Mon Nov 28 2011 - 02:11:05 PST)
[AMBER] ANTECHAMBER: fatal error
- David A Case (Tue Nov 29 2011 - 06:44:13 PST)
- George Tzotzos (Sat Nov 26 2011 - 13:51:57 PST)
- Yong Duan (Sat Nov 26 2011 - 12:36:44 PST)
- George Tzotzos (Sat Nov 26 2011 - 11:10:37 PST)
- George Tzotzos (Sat Nov 26 2011 - 10:13:37 PST)
[AMBER] any fix so that I can compile AmberTools with gfortran 4.6.1?
- Jose Borreguero (Thu Nov 10 2011 - 08:30:06 PST)
[AMBER] apologies for an error
- Marc Baaden (Mon Nov 07 2011 - 23:58:17 PST)
[AMBER] atom type requested that does not appear in the prep file
- arikcohen (Fri Nov 18 2011 - 17:01:06 PST)
- Bill Ross (Fri Nov 18 2011 - 16:57:40 PST)
- arikcohen (Fri Nov 18 2011 - 16:25:09 PST)
[AMBER] atom types error
- FyD (Tue Nov 29 2011 - 02:57:03 PST)
- Urszula Uciechowska (Mon Nov 28 2011 - 23:15:29 PST)
[AMBER] ATOM TYPES for MODIFIED dCTP
- Jana Sefcikova 1 (Wed Nov 30 2011 - 12:32:39 PST)
[AMBER] bad atom type: Br
- Baldoni Hector Armando (Sun Nov 13 2011 - 08:24:18 PST)
- Jason Swails (Fri Nov 11 2011 - 19:20:41 PST)
- Hector A. Baldoni (Fri Nov 11 2011 - 13:17:17 PST)
[AMBER] bashrc problems
- Ben Roberts (Sun Nov 13 2011 - 19:53:12 PST)
- Andrew Voronkov (Sun Nov 06 2011 - 07:14:55 PST)
- Ross Walker (Fri Nov 04 2011 - 11:31:40 PDT)
- James Starlight (Fri Nov 04 2011 - 06:47:44 PDT)
- Jan-Philip Gehrcke (Fri Nov 04 2011 - 06:03:39 PDT)
- James Starlight (Fri Nov 04 2011 - 05:52:15 PDT)
- Jan-Philip Gehrcke (Fri Nov 04 2011 - 04:38:07 PDT)
- Andrew Voronkov (Fri Nov 04 2011 - 04:08:29 PDT)
[AMBER] binding energy calculated by mm_pbsa.pl
- Qinghua Liao (Mon Nov 21 2011 - 23:23:17 PST)
- Ray Luo, Ph.D. (Mon Nov 21 2011 - 10:08:26 PST)
- Qinghua Liao (Sun Nov 20 2011 - 07:34:32 PST)
- Ray Luo, Ph.D. (Sun Nov 20 2011 - 07:00:59 PST)
- Qinghua Liao (Sun Nov 20 2011 - 00:10:18 PST)
[AMBER] bonds problem in leap
- Qinghua Liao (Fri Nov 18 2011 - 05:32:16 PST)
[AMBER] BUG in NAB file nabgrm.y
- Chris Whittleston (Fri Nov 25 2011 - 02:48:20 PST)
- case (Thu Nov 24 2011 - 08:03:36 PST)
- Chris Whittleston (Wed Nov 23 2011 - 08:48:49 PST)
[AMBER] building a polymer and running antechamber on it
- FyD (Tue Nov 15 2011 - 04:13:14 PST)
- Changwoo Do (Sat Nov 12 2011 - 10:14:13 PST)
[AMBER] Building non standard DNA residue
- FyD (Tue Nov 15 2011 - 04:06:17 PST)
- Buddhadev Maiti (Mon Nov 14 2011 - 20:36:14 PST)
[AMBER] Ca(2+) LJ parameters
- ros (Sun Nov 13 2011 - 19:29:47 PST)
- case (Sun Nov 13 2011 - 17:09:14 PST)
- Dr. Vitaly V. Chaban (Sun Nov 13 2011 - 12:40:53 PST)
[AMBER] Calculate charges using better method/basis set?
- Ismail, Mohd F. (Wed Nov 16 2011 - 11:03:04 PST)
- Karl N. Kirschner (Wed Nov 16 2011 - 07:53:13 PST)
- Ismail, Mohd F. (Wed Nov 16 2011 - 07:10:34 PST)
- Brian Radak (Mon Nov 14 2011 - 10:54:07 PST)
- Ross Walker (Mon Nov 14 2011 - 10:36:14 PST)
- Adrian Roitberg (Mon Nov 14 2011 - 10:33:27 PST)
- Dr. Vitaly V. Chaban (Mon Nov 14 2011 - 10:26:11 PST)
- Dr. Vitaly V. Chaban (Mon Nov 14 2011 - 10:21:49 PST)
- Ross Walker (Mon Nov 14 2011 - 09:23:43 PST)
- Ismail, Mohd F. (Mon Nov 14 2011 - 08:29:49 PST)
- Dr. Vitaly V. Chaban (Sun Nov 13 2011 - 12:54:57 PST)
- Adrian Roitberg (Sun Nov 13 2011 - 12:55:31 PST)
- Dr. Vitaly V. Chaban (Sun Nov 13 2011 - 12:52:17 PST)
- Ismail, Mohd F. (Sat Nov 12 2011 - 10:22:20 PST)
[AMBER] calculate residue wise SASA
- Jason Swails (Wed Nov 09 2011 - 08:34:25 PST)
- Xiao Chen (Wed Nov 09 2011 - 01:17:36 PST)
- Daniel Roe (Tue Nov 08 2011 - 22:23:06 PST)
- Xiao Chen (Tue Nov 08 2011 - 21:08:13 PST)
[AMBER] Calculation of free energy of solvation
- Jason Swails (Sun Nov 27 2011 - 20:52:23 PST)
- M. Reza Ganjalikhany (Sun Nov 27 2011 - 20:29:05 PST)
[AMBER] Can't get the correct gaussian input name after runed *_sidechain.bcl in MCPB
- Martin Peters (Fri Nov 18 2011 - 09:15:51 PST)
- JiYuan Liu (Thu Nov 17 2011 - 23:12:33 PST)
[AMBER] Can't get the correct gaussian input name after runed*_sidechain.bcl in MCPB
- Martin Peters (Mon Nov 21 2011 - 00:43:24 PST)
- JiYuan Liu (Sun Nov 20 2011 - 20:33:30 PST)
[AMBER] Can't get the correct gaussian input name afterruned*_sidechain.bcl in MCPB
- Ben Roberts (Tue Nov 22 2011 - 19:40:57 PST)
- JiYuan Liu (Mon Nov 21 2011 - 05:05:55 PST)
[AMBER] CCYX not recognized by ff03 in tleap
- Raik Grünberg (Thu Nov 24 2011 - 07:53:01 PST)
- Jason Swails (Wed Nov 23 2011 - 21:47:58 PST)
- Raik Grünberg (Wed Nov 23 2011 - 20:59:43 PST)
- Jason Swails (Wed Nov 23 2011 - 13:58:20 PST)
- Raik Grünberg (Wed Nov 23 2011 - 13:13:07 PST)
[AMBER] Charge method
- Dr. Vitaly V. Chaban (Tue Nov 15 2011 - 20:30:38 PST)
- Changwoo Do (Tue Nov 15 2011 - 14:45:01 PST)
- Dr. Vitaly V. Chaban (Tue Nov 15 2011 - 14:18:55 PST)
- Dr. Vitaly V. Chaban (Tue Nov 15 2011 - 14:17:21 PST)
- Changwoo Do (Tue Nov 15 2011 - 12:27:04 PST)
[AMBER] chlorine naming question and parametrization
- Andrew Voronkov (Tue Nov 29 2011 - 11:53:35 PST)
[AMBER] cis conformation of amino acid
- David A Case (Tue Nov 29 2011 - 10:15:45 PST)
- Yun Shi (Tue Nov 29 2011 - 08:56:44 PST)
[AMBER] clustering analysis in ptraj takes too long time
- Daniel Roe (Tue Nov 22 2011 - 10:07:44 PST)
- liu junjun (Tue Nov 22 2011 - 05:49:51 PST)
- Alex Rodriguez (Tue Nov 22 2011 - 05:08:33 PST)
- liu junjun (Tue Nov 22 2011 - 02:07:00 PST)
[AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
- Scott Le Grand (Wed Nov 30 2011 - 21:12:40 PST)
- Marc van der Kamp (Wed Nov 30 2011 - 09:51:56 PST)
- Marc van der Kamp (Wed Nov 30 2011 - 09:27:00 PST)
- Marc van der Kamp (Wed Nov 30 2011 - 05:36:40 PST)
- Ross Walker (Tue Nov 29 2011 - 10:23:55 PST)
- Scott Le Grand (Tue Nov 29 2011 - 09:53:20 PST)
- Scott Le Grand (Tue Nov 29 2011 - 09:51:36 PST)
- Marc van der Kamp (Tue Nov 29 2011 - 07:07:47 PST)
- Marc van der Kamp (Thu Nov 24 2011 - 09:16:39 PST)
- Mark Williamson (Thu Nov 24 2011 - 05:30:55 PST)
- Marc van der Kamp (Thu Nov 24 2011 - 04:20:24 PST)
- Marc van der Kamp (Thu Nov 24 2011 - 02:10:05 PST)
[AMBER] comparison failures in the Amber11 and AT15 test
- bin wang (Mon Nov 14 2011 - 11:16:56 PST)
- Jason Swails (Fri Nov 11 2011 - 19:22:41 PST)
- bin wang (Fri Nov 11 2011 - 15:20:25 PST)
[AMBER] Compilation fail of amberTools 1.2 for amber10 support
- David A Case (Wed Nov 16 2011 - 06:42:45 PST)
- Jose Borreguero (Wed Nov 16 2011 - 06:15:34 PST)
[AMBER] compilation of Amber Tools 1.5 with GCC 4.6.2 with "-nopython"
- Vlad Cojocaru (Tue Nov 22 2011 - 14:38:59 PST)
- Tyler Luchko (Tue Nov 22 2011 - 13:07:00 PST)
- Vlad Cojocaru (Tue Nov 22 2011 - 12:55:55 PST)
[AMBER] compilation openmpi FAIL for AMBER9
- Vijay Manickam Achari (Wed Nov 16 2011 - 03:36:40 PST)
[AMBER] compiling pmemd in amber9
- Ross Walker (Fri Nov 18 2011 - 10:28:05 PST)
- David A. Case (Thu Nov 17 2011 - 19:31:45 PST)
- Vijay Manickam Achari (Thu Nov 17 2011 - 17:08:00 PST)
[AMBER] Compiling trouble of AmberTools with intel compiler v12.1.0.
- K. Uebayashi (Wed Nov 16 2011 - 22:06:13 PST)
- Mark Williamson (Tue Nov 15 2011 - 07:04:56 PST)
- K. Uebayashi (Sun Nov 13 2011 - 22:51:29 PST)
[AMBER] crashed run and time estimate
- Ross Walker (Fri Nov 04 2011 - 22:49:25 PDT)
- Yao Yao (Fri Nov 04 2011 - 17:52:52 PDT)
[AMBER] Creating i-motif (cruciform DNA) using NAB??
- raghav singh (Wed Nov 02 2011 - 11:17:46 PDT)
[AMBER] CUDA NaN error occuring at "wrapping first mol"
- Ross Walker (Wed Nov 30 2011 - 20:01:28 PST)
- Ross Walker (Wed Nov 30 2011 - 17:26:29 PST)
- Bill Sinko (Wed Nov 30 2011 - 15:54:31 PST)
[AMBER] cutoff distance again
- David A Case (Mon Nov 28 2011 - 06:31:19 PST)
- Yun Shi (Sat Nov 26 2011 - 11:09:38 PST)
[AMBER] cutoff in amber cuda
- Ross Walker (Tue Nov 01 2011 - 08:58:53 PDT)
- Jason Swails (Tue Nov 01 2011 - 07:09:34 PDT)
- Neha Gandhi (Mon Oct 31 2011 - 19:23:34 PDT)
[AMBER] D-N-Sulfate-glucosamine net charge
- Matthew Tessier (Wed Nov 30 2011 - 13:07:40 PST)
- Massimiliano Porrini (Wed Nov 30 2011 - 11:23:58 PST)
[AMBER] Different print behavior for mdcrd and ncsu modules
- David A Case (Thu Nov 10 2011 - 08:22:19 PST)
- Brian Radak (Wed Nov 09 2011 - 06:56:43 PST)
[AMBER] Differentially restraining backbone and sidechain atoms from Chamber generated prmtop
- Jason Swails (Fri Nov 18 2011 - 10:27:50 PST)
- Joshua Adelman (Fri Nov 18 2011 - 05:46:25 PST)
- Mark Williamson (Fri Nov 18 2011 - 01:52:51 PST)
- Joshua Adelman (Thu Nov 17 2011 - 11:09:32 PST)
[AMBER] directional pressure variation
- Giovanni Pavan (Fri Nov 04 2011 - 08:08:05 PDT)
[AMBER] Discrepancy of GBSA results
- Adrian Roitberg (Sat Nov 12 2011 - 07:44:26 PST)
- Carlos Simmerling (Sat Nov 12 2011 - 07:22:21 PST)
- Anglea A. (Sat Nov 12 2011 - 07:20:23 PST)
[AMBER] distribution of selected water
- Daniel Roe (Tue Nov 01 2011 - 08:55:13 PDT)
- Bruno Rodrigues (Tue Nov 01 2011 - 07:51:32 PDT)
- Daniel Roe (Tue Nov 01 2011 - 07:44:21 PDT)
- Jason Swails (Tue Nov 01 2011 - 07:41:33 PDT)
- Bruno Rodrigues (Tue Nov 01 2011 - 07:39:03 PDT)
- Jason Swails (Tue Nov 01 2011 - 07:19:46 PDT)
- Bruno Rodrigues (Tue Nov 01 2011 - 03:26:42 PDT)
[AMBER] dummny atoms in .prep file
- Jason Swails (Wed Nov 16 2011 - 12:15:14 PST)
- Andrew Voronkov (Tue Nov 15 2011 - 01:57:55 PST)
[AMBER] dynamics of isotopically labelled proteins
- vaibhav dixit (Mon Nov 21 2011 - 08:33:04 PST)
- Francesco Paesani (Mon Nov 21 2011 - 08:18:57 PST)
- vaibhav dixit (Mon Nov 21 2011 - 07:34:11 PST)
- Jason Swails (Mon Nov 21 2011 - 06:00:00 PST)
- vaibhav dixit (Mon Nov 21 2011 - 00:27:17 PST)
[AMBER] entropy calculation
- Sangita Kachhap (Tue Nov 08 2011 - 04:31:33 PST)
- Bill Miller III (Tue Nov 08 2011 - 04:13:00 PST)
- Sangita Kachhap (Tue Nov 08 2011 - 01:05:25 PST)
- Jason Swails (Mon Nov 07 2011 - 22:39:48 PST)
- Sangita Kachhap (Mon Nov 07 2011 - 22:27:38 PST)
[AMBER] error by running MMPBSa
- Urszula Uciechowska (Wed Nov 30 2011 - 06:12:31 PST)
- Jason Swails (Wed Nov 30 2011 - 05:58:23 PST)
- Urszula Uciechowska (Wed Nov 30 2011 - 05:16:40 PST)
[AMBER] error in MD simulation
- Yong Duan (Wed Nov 30 2011 - 22:31:14 PST)
- Ross Walker (Wed Nov 30 2011 - 20:09:25 PST)
[AMBER] Error on PCA
- Elisabeth Widjajakusuma (Tue Nov 22 2011 - 08:16:26 PST)
- David A Case (Tue Nov 22 2011 - 07:51:24 PST)
- Elisabeth Widjajakusuma (Tue Nov 22 2011 - 06:00:13 PST)
[AMBER] frcmod file for metal-amino acid complex
- David A Case (Tue Nov 22 2011 - 05:20:14 PST)
- Jason Swails (Tue Nov 22 2011 - 04:26:45 PST)
- Soma Ghosh (Tue Nov 22 2011 - 03:42:12 PST)
[AMBER] Fwd: error by running MMPBSa
- Qin Cai (Wed Nov 30 2011 - 17:25:53 PST)
- Ray Luo, Ph.D. (Wed Nov 30 2011 - 15:59:28 PST)
- Ray Luo, Ph.D. (Wed Nov 30 2011 - 09:42:40 PST)
[AMBER] Fwd: Issue with running sander with SHAKE
- Andrew Voronkov (Sun Nov 27 2011 - 11:51:25 PST)
- Yong Duan (Sun Nov 27 2011 - 11:02:57 PST)
- Andrew Voronkov (Sun Nov 27 2011 - 01:00:17 PST)
- Yong Duan (Sat Nov 26 2011 - 12:28:32 PST)
- Andrew Voronkov (Sat Nov 26 2011 - 12:22:22 PST)
[AMBER] Fwd: problems with MCBP parametrization
- Ben Roberts (Fri Nov 25 2011 - 07:21:03 PST)
- Andrew Voronkov (Thu Nov 24 2011 - 12:28:16 PST)
[AMBER] fwd: top2mol2 charges output in mol2: no reply
- Jio M (Sun Nov 27 2011 - 21:58:34 PST)
[AMBER] General Amber FF Parameters
- Jason Swails (Thu Nov 24 2011 - 20:26:45 PST)
- Bill Ross (Thu Nov 24 2011 - 14:26:23 PST)
- Caglar Bayar (Thu Nov 24 2011 - 14:08:47 PST)
[AMBER] generating frcmod files
- David A. Case (Fri Nov 18 2011 - 21:11:37 PST)
- Soma Ghosh (Fri Nov 18 2011 - 09:51:07 PST)
[AMBER] glibc error while running Xleap
- Vlad Cojocaru (Wed Nov 30 2011 - 09:17:27 PST)
- David A Case (Wed Nov 30 2011 - 05:13:04 PST)
- Vlad Cojocaru (Wed Nov 30 2011 - 02:04:42 PST)
- Vlad Cojocaru (Wed Nov 30 2011 - 01:42:56 PST)
- David A Case (Tue Nov 29 2011 - 08:38:25 PST)
- Vlad Cojocaru (Tue Nov 29 2011 - 07:03:55 PST)
- David A Case (Tue Nov 29 2011 - 06:48:26 PST)
- Vlad Cojocaru (Mon Nov 28 2011 - 04:53:04 PST)
[AMBER] global build; was: Passing the free-format flag to files in sander and nmode
- Michael Sternberg (Fri Nov 11 2011 - 07:42:36 PST)
[AMBER] Got a mistake with 3H68_OH_large.bcl
- Ben Roberts (Thu Nov 17 2011 - 15:24:18 PST)
- 刘吉元 (Thu Nov 17 2011 - 05:54:18 PST)
[AMBER] H-Bond problem
- David A Case (Wed Nov 16 2011 - 13:33:24 PST)
- najmul arfin (Wed Nov 16 2011 - 08:24:50 PST)
[AMBER] help with antechamber
- David A Case (Mon Nov 28 2011 - 09:57:31 PST)
- jun kit (Sun Nov 27 2011 - 07:47:26 PST)
- jun kit (Thu Nov 24 2011 - 08:17:52 PST)
- jun kit (Wed Nov 23 2011 - 08:03:06 PST)
- jun kit (Tue Nov 22 2011 - 18:14:42 PST)
- jun kit (Tue Nov 22 2011 - 14:16:45 PST)
- David A Case (Mon Nov 21 2011 - 08:50:28 PST)
- jun kit (Sun Nov 20 2011 - 12:32:38 PST)
- case (Wed Nov 09 2011 - 19:15:01 PST)
- jun kit (Wed Nov 09 2011 - 10:45:01 PST)
[AMBER] How MCPB add ligand with a small molecule in *_siderchain.bcl
- Ben Roberts (Thu Nov 17 2011 - 15:26:35 PST)
- 刘吉元 (Mon Nov 14 2011 - 19:15:37 PST)
[AMBER] How MCPB add ligand with a small molecule in*_siderchain.bcl
- Ben Roberts (Tue Nov 22 2011 - 20:11:02 PST)
- Ben Roberts (Tue Nov 22 2011 - 20:06:56 PST)
- Ben Roberts (Tue Nov 22 2011 - 20:00:42 PST)
- JiYuan Liu (Tue Nov 22 2011 - 06:54:18 PST)
- JiYuan Liu (Mon Nov 21 2011 - 18:20:11 PST)
- JiYuan Liu (Mon Nov 21 2011 - 05:12:52 PST)
- JiYuan Liu (Sat Nov 19 2011 - 19:55:15 PST)
- JiYuan Liu (Thu Nov 17 2011 - 22:17:24 PST)
[AMBER] How MCPB add ligand with a small moleculein*_siderchain.bcl
- Ben Roberts (Fri Nov 25 2011 - 07:24:51 PST)
- JiYuan Liu (Wed Nov 23 2011 - 09:00:56 PST)
- JiYuan Liu (Tue Nov 22 2011 - 20:24:26 PST)
[AMBER] How MCPB add ligand with a smallmoleculein*_siderchain.bcl
- Ben Roberts (Mon Nov 28 2011 - 07:57:43 PST)
- JiYuan Liu (Mon Nov 28 2011 - 04:26:24 PST)
[AMBER] How MCPB add ligand with asmallmoleculein*_siderchain.bcl
- Ben Roberts (Mon Nov 28 2011 - 15:16:47 PST)
- JiYuan Liu (Mon Nov 28 2011 - 09:34:26 PST)
[AMBER] How MCPB add ligand withasmallmoleculein*_siderchain.bcl
- JiYuan Liu (Tue Nov 29 2011 - 09:03:42 PST)
- Ben Roberts (Tue Nov 29 2011 - 07:10:23 PST)
- JiYuan Liu (Mon Nov 28 2011 - 19:47:18 PST)
[AMBER] how to add new groups to all_amino94.in
- FyD (Mon Nov 21 2011 - 00:09:51 PST)
- M. L. Dodson (Sun Nov 20 2011 - 11:03:25 PST)
- Jason Swails (Sun Nov 20 2011 - 10:20:03 PST)
- M. L. Dodson (Sun Nov 20 2011 - 09:03:30 PST)
- M. L. Dodson (Sun Nov 20 2011 - 08:59:20 PST)
- FyD (Sun Nov 20 2011 - 08:02:29 PST)
- Jason Swails (Sat Nov 19 2011 - 13:26:15 PST)
- FyD (Sat Nov 19 2011 - 01:37:24 PST)
- Li, Yawen (MU-Student) (Fri Nov 18 2011 - 09:20:33 PST)
[AMBER] how to calculate interaction surface in time
- Tomáš Kučera (Thu Nov 17 2011 - 03:03:08 PST)
[AMBER] How to fix the installation problem of mopac
- case (Thu Nov 24 2011 - 07:12:41 PST)
- Crystal.CHIA-YU Ku (Wed Nov 23 2011 - 14:38:12 PST)
- David A Case (Wed Nov 23 2011 - 05:05:21 PST)
- Crystal.CHIA-YU Ku (Tue Nov 22 2011 - 16:53:59 PST)
[AMBER] How to keep Graphene sheet fixed during MD simulation.
- hai wei (Mon Nov 07 2011 - 19:14:54 PST)
- Jason Swails (Mon Nov 07 2011 - 17:00:24 PST)
- hai wei (Mon Nov 07 2011 - 15:24:59 PST)
- David A Case (Mon Nov 07 2011 - 06:08:58 PST)
- David A Case (Mon Nov 07 2011 - 06:08:00 PST)
- Jason Swails (Mon Nov 07 2011 - 05:42:27 PST)
- hai wei (Sun Nov 06 2011 - 23:02:24 PST)
- hai wei (Sun Nov 06 2011 - 22:30:12 PST)
- hai wei (Sun Nov 06 2011 - 19:10:44 PST)
- case (Sun Nov 06 2011 - 18:15:35 PST)
- hai wei (Sun Nov 06 2011 - 15:51:06 PST)
[AMBER] how to load atom type for divalent ions in leaprc.ff10?
- Jason Swails (Tue Nov 08 2011 - 20:32:33 PST)
- Victor Ma (Tue Nov 08 2011 - 09:23:00 PST)
- Victor Ma (Tue Nov 01 2011 - 11:09:51 PDT)
- David A Case (Tue Nov 01 2011 - 08:51:07 PDT)
- Victor Ma (Tue Nov 01 2011 - 08:28:15 PDT)
- David A Case (Tue Nov 01 2011 - 05:14:08 PDT)
[AMBER] how to obtain NOEs from MD trajectory ?
- David A Case (Tue Nov 22 2011 - 07:48:22 PST)
- Jose Borreguero (Tue Nov 22 2011 - 06:22:18 PST)
[AMBER] how to prepare 4:4:1 methanol–chloroform–water mixture
- rameshwar prajapati (Sun Nov 27 2011 - 09:35:00 PST)
[AMBER] How to repair defect RNA residues?
- case (Thu Nov 24 2011 - 11:05:59 PST)
- Crystal.CHIA-YU Ku (Wed Nov 23 2011 - 16:05:07 PST)
- Jason Swails (Wed Nov 23 2011 - 08:38:22 PST)
- Crystal.CHIA-YU Ku (Tue Nov 22 2011 - 14:41:32 PST)
- Jason Swails (Tue Nov 22 2011 - 03:53:13 PST)
- Crystal.CHIA-YU Ku (Mon Nov 21 2011 - 18:38:19 PST)
[AMBER] how to speed up nmode calculation using MMPBSA.MPI?
- Josmar R. da Rocha (Tue Nov 22 2011 - 04:33:48 PST)
- Jason Swails (Sun Nov 20 2011 - 20:45:56 PST)
- Josmar R. da Rocha (Sun Nov 20 2011 - 18:51:03 PST)
[AMBER] how to use ptraj to convert trajectory files?
- Jan-Philip Gehrcke (Sun Nov 13 2011 - 12:45:59 PST)
- Yun Shi (Sun Nov 13 2011 - 11:06:14 PST)
[AMBER] How to use strip mask and receptor mask in the new mmpbsa.py?
- bin wang (Tue Nov 29 2011 - 12:43:34 PST)
- Jason Swails (Tue Nov 22 2011 - 04:07:03 PST)
- bin wang (Mon Nov 21 2011 - 18:40:24 PST)
[AMBER] ICST-Amber Install
- co nguyentruong (Thu Nov 24 2011 - 11:31:52 PST)
- Jason Swails (Thu Nov 24 2011 - 08:45:17 PST)
- co nguyentruong (Thu Nov 24 2011 - 04:57:38 PST)
- Jason Swails (Wed Nov 23 2011 - 22:21:31 PST)
- co nguyentruong (Wed Nov 23 2011 - 01:16:18 PST)
- co nguyentruong (Wed Nov 23 2011 - 01:14:07 PST)
[AMBER] Installation of amber11 on the latest Ubuntu 64bit
- Qinghua Liao (Mon Nov 07 2011 - 14:20:56 PST)
- Jan-Philip Gehrcke (Mon Nov 07 2011 - 07:55:35 PST)
- Jason Swails (Mon Nov 07 2011 - 07:53:57 PST)
- Qinghua Liao (Mon Nov 07 2011 - 07:29:55 PST)
- Qinghua Liao (Mon Nov 07 2011 - 06:38:17 PST)
- Qinghua Liao (Mon Nov 07 2011 - 06:33:42 PST)
- David A Case (Mon Nov 07 2011 - 06:26:56 PST)
- Jan-Philip Gehrcke (Mon Nov 07 2011 - 05:55:19 PST)
- Jason Swails (Mon Nov 07 2011 - 05:37:38 PST)
- Qinghua Liao (Mon Nov 07 2011 - 05:19:46 PST)
- Qinghua Liao (Sun Nov 06 2011 - 23:43:00 PST)
[AMBER] installation of amberTools on lion fails
- Jason Swails (Mon Nov 21 2011 - 13:03:22 PST)
- Jorgen Simonsen (Mon Nov 21 2011 - 12:41:22 PST)
- Jason Swails (Mon Nov 21 2011 - 12:21:11 PST)
- Jorgen Simonsen (Mon Nov 21 2011 - 12:01:07 PST)
- Jason Swails (Mon Nov 21 2011 - 11:40:11 PST)
- Jorgen Simonsen (Mon Nov 21 2011 - 11:32:55 PST)
- Jason Swails (Mon Nov 21 2011 - 11:12:06 PST)
- Jason Swails (Mon Nov 21 2011 - 11:09:20 PST)
- Jorgen Simonsen (Mon Nov 21 2011 - 10:25:39 PST)
- Gustavo Seabra (Mon Nov 21 2011 - 08:14:42 PST)
- Jason Swails (Mon Nov 21 2011 - 08:07:12 PST)
- Jason Swails (Mon Nov 21 2011 - 08:06:59 PST)
- Jorgen Simonsen (Mon Nov 21 2011 - 07:37:19 PST)
- Gustavo Seabra (Mon Nov 21 2011 - 07:16:01 PST)
- Jason Swails (Mon Nov 21 2011 - 07:04:39 PST)
- Jorgen Simonsen (Mon Nov 21 2011 - 06:47:36 PST)
[AMBER] Installation of MMPBSA.MPI should be clarified
- Jason Swails (Fri Nov 04 2011 - 09:23:12 PDT)
- Jan-Philip Gehrcke (Fri Nov 04 2011 - 07:37:29 PDT)
[AMBER] Installing AMBER9 in SGI_ALTIX-XE1300 - need some help
- David A Case (Wed Nov 16 2011 - 06:19:11 PST)
- Vijay Manickam Achari (Wed Nov 16 2011 - 00:08:44 PST)
- David A Case (Tue Nov 15 2011 - 04:53:18 PST)
- Vijay Manickam Achari (Tue Nov 15 2011 - 00:55:58 PST)
[AMBER] iron sulphur cluster parametrization
- FyD (Tue Nov 01 2011 - 07:03:17 PDT)
- Francesco Oteri (Tue Nov 01 2011 - 05:03:02 PDT)
- Francesco Oteri (Tue Nov 01 2011 - 04:46:51 PDT)
- Ilyas Yildirim (Tue Nov 01 2011 - 04:25:42 PDT)
- FyD (Tue Nov 01 2011 - 04:19:18 PDT)
- Francesco Oteri (Tue Nov 01 2011 - 03:29:13 PDT)
- FyD (Tue Nov 01 2011 - 01:10:26 PDT)
[AMBER] Issue with running sander with SHAKE
- David A Case (Tue Nov 29 2011 - 12:15:32 PST)
- Andrew Voronkov (Tue Nov 29 2011 - 11:52:05 PST)
- David A Case (Tue Nov 29 2011 - 06:42:14 PST)
- Andrew Voronkov (Sat Nov 26 2011 - 09:45:59 PST)
- Andrew Voronkov (Sat Nov 26 2011 - 00:38:58 PST)
- Breuer, Marian (Sat Nov 05 2011 - 15:52:12 PDT)
- David A Case (Fri Nov 04 2011 - 10:39:14 PDT)
- Breuer, Marian (Fri Nov 04 2011 - 10:10:48 PDT)
- Jason Swails (Tue Nov 01 2011 - 22:36:44 PDT)
- case (Tue Nov 01 2011 - 18:48:21 PDT)
- Breuer, Marian (Tue Nov 01 2011 - 15:49:36 PDT)
- Jason Swails (Tue Nov 01 2011 - 14:49:23 PDT)
- Breuer, Marian (Tue Nov 01 2011 - 10:37:06 PDT)
- David A Case (Tue Nov 01 2011 - 05:22:13 PDT)
[AMBER] large.bcl bug in MCPB
- Ben Roberts (Thu Nov 17 2011 - 15:19:48 PST)
[AMBER] leap problem: TER cards disappearing
- David A Case (Tue Nov 29 2011 - 08:59:35 PST)
- thomas.fox.boehringer-ingelheim.com (Tue Nov 29 2011 - 06:33:40 PST)
[AMBER] makeDIST_RST error
- David A Case (Tue Nov 22 2011 - 11:23:00 PST)
- Charles Johnson (Tue Nov 22 2011 - 08:46:15 PST)
[AMBER] MCPB execution error
- Soma Ghosh (Sun Nov 27 2011 - 22:01:31 PST)
[AMBER] MCPB execution error (repeat mail)
- Soma Ghosh (Tue Nov 29 2011 - 06:36:45 PST)
[AMBER] MCPB settings file
- Ben Roberts (Tue Nov 22 2011 - 20:24:01 PST)
- JiYuan Liu (Tue Nov 22 2011 - 06:58:35 PST)
- JiYuan Liu (Sun Nov 20 2011 - 06:38:02 PST)
- Ben Roberts (Fri Nov 18 2011 - 09:01:38 PST)
- JiYuan Liu (Thu Nov 17 2011 - 21:59:13 PST)
- Ben Roberts (Mon Nov 14 2011 - 15:37:05 PST)
- Ben Roberts (Mon Nov 14 2011 - 08:12:12 PST)
- 刘吉元 (Sun Nov 13 2011 - 21:47:57 PST)
[AMBER] MD of a Ca2+ dependent interaction
- Juan Carlos (Wed Nov 23 2011 - 04:13:55 PST)
[AMBER] mdrun continuation
- David A Case (Tue Nov 29 2011 - 04:45:37 PST)
- Yao Yao (Mon Nov 28 2011 - 18:52:15 PST)
[AMBER] Measurement of distance between residues forming Hydrogen bond
- Daniel Roe (Tue Nov 01 2011 - 07:35:04 PDT)
- Jason Swails (Tue Nov 01 2011 - 07:15:09 PDT)
- Aditya Padhi (Tue Nov 01 2011 - 01:56:05 PDT)
[AMBER] Membrane building
- Benjamin Madej (Sat Nov 19 2011 - 13:18:48 PST)
- Vlad Cojocaru (Sat Nov 19 2011 - 05:22:38 PST)
- madhumita das (Sat Nov 19 2011 - 04:00:50 PST)
- David A Case (Wed Nov 09 2011 - 07:13:08 PST)
- madhumita das (Tue Nov 08 2011 - 09:05:32 PST)
[AMBER] Minimization in sander
- David A Case (Thu Nov 03 2011 - 05:24:46 PDT)
- Anglea A. (Thu Nov 03 2011 - 04:45:10 PDT)
- David A Case (Wed Nov 02 2011 - 06:58:38 PDT)
- Anglea A. (Wed Nov 02 2011 - 05:22:01 PDT)
- David A Case (Wed Nov 02 2011 - 04:47:06 PDT)
- Anglea A. (Wed Nov 02 2011 - 01:49:13 PDT)
[AMBER] Minimization of only certain atoms
- David Condon (Wed Nov 16 2011 - 06:30:56 PST)
- Jason Swails (Tue Nov 15 2011 - 15:55:26 PST)
- Brian Radak (Tue Nov 15 2011 - 10:17:57 PST)
- David Condon (Tue Nov 15 2011 - 06:51:51 PST)
[AMBER] Minimization problems. same box different water model
- David A Case (Fri Nov 04 2011 - 07:10:47 PDT)
- Brian Radak (Thu Nov 03 2011 - 11:23:09 PDT)
- David A Case (Thu Nov 03 2011 - 10:52:13 PDT)
- Brian Radak (Thu Nov 03 2011 - 08:52:19 PDT)
[AMBER] MKL: lib dir name changed for 64bit version
- Michael Sternberg (Fri Nov 11 2011 - 07:50:23 PST)
[AMBER] mm_pbsa error
- Ray Luo, Ph.D. (Sat Nov 05 2011 - 14:08:14 PDT)
- Esam Tolba (Sat Nov 05 2011 - 09:27:28 PDT)
[AMBER] MMPBSA
- M. Reza Ganjalikhany (Fri Nov 25 2011 - 12:41:08 PST)
- Jason Swails (Fri Nov 25 2011 - 08:27:47 PST)
- M. Reza Ganjalikhany (Fri Nov 25 2011 - 04:47:37 PST)
[AMBER] MMPBSA - ptraj for RMSD
- Daniel Roe (Wed Nov 16 2011 - 05:14:59 PST)
- Fernando Blanco (Wed Nov 16 2011 - 03:05:27 PST)
[AMBER] MMPBSA - running dynamics
- Fernando Blanco (Sat Nov 12 2011 - 11:16:06 PST)
[AMBER] MMPBSA.py: DELTA section missing in FINAL_DECOMP_MMPBSA.dat for dec_verbose=3
- Jason Swails (Fri Nov 04 2011 - 14:28:40 PDT)
- Jan-Philip Gehrcke (Fri Nov 04 2011 - 13:53:05 PDT)
- Jason Swails (Fri Nov 04 2011 - 13:00:41 PDT)
- Jan-Philip Gehrcke (Fri Nov 04 2011 - 09:47:32 PDT)
[AMBER] MN2+ ion protein can't be dealed with MCPB
- 刘吉元 (Sun Nov 13 2011 - 01:33:41 PST)
- case (Thu Nov 10 2011 - 06:24:14 PST)
- 刘吉元 (Tue Nov 08 2011 - 06:19:33 PST)
[AMBER] molecule out box and correct hbond analysis
- Bruno Rodrigues (Tue Nov 01 2011 - 04:56:00 PDT)
[AMBER] mpirun
- Jason Swails (Tue Nov 22 2011 - 04:13:50 PST)
- leila karami (Tue Nov 22 2011 - 01:31:27 PST)
- David A Case (Wed Nov 16 2011 - 06:28:12 PST)
- leila karami (Wed Nov 16 2011 - 03:12:39 PST)
- Sudeep Narayan Banerjee (Mon Nov 14 2011 - 21:50:52 PST)
- case (Sat Nov 12 2011 - 08:05:16 PST)
- case (Sat Nov 12 2011 - 08:04:34 PST)
- Jason Swails (Sat Nov 12 2011 - 07:52:45 PST)
- leila karami (Sat Nov 12 2011 - 07:01:35 PST)
- leila karami (Sat Nov 12 2011 - 06:22:42 PST)
[AMBER] msd
- Bruno Rodrigues (Mon Nov 14 2011 - 05:28:21 PST)
- subrata paul (Fri Nov 11 2011 - 22:34:06 PST)
[AMBER] ncsu_pmd and ncsu_smd
- Brian Radak (Thu Nov 17 2011 - 06:10:59 PST)
- Sai Kumar Ramadugu (Wed Nov 16 2011 - 17:26:25 PST)
[AMBER] nmropt modes for GPU accelerated pmemd 11
- serobian.a.student.unsw.edu.au (Thu Nov 10 2011 - 15:21:40 PST)
- Ross Walker (Thu Nov 10 2011 - 07:15:53 PST)
- Andre Serobian (Thu Nov 10 2011 - 01:58:37 PST)
[AMBER] Nudged Elastic Band (NEB) with torque PBS system
- Daniel Roe (Thu Nov 10 2011 - 05:51:36 PST)
- c00jsw00.nchc.narl.org.tw (Wed Nov 09 2011 - 22:44:53 PST)
[AMBER] NVIDIA GPU Event at Imperial College London
- Gould, Ian R (Mon Nov 28 2011 - 02:59:48 PST)
[AMBER] Order parameter
- David A. Case (Sat Nov 19 2011 - 07:31:06 PST)
- subrata paul (Sat Nov 19 2011 - 05:48:26 PST)
[AMBER] parameters for anchor-modified glycopeptides
- FyD (Tue Nov 08 2011 - 00:41:11 PST)
- Bill Ross (Mon Nov 07 2011 - 11:23:51 PST)
- FyD (Mon Nov 07 2011 - 06:15:01 PST)
- Urszula Uciechowska (Mon Nov 07 2011 - 01:58:39 PST)
- FyD (Fri Nov 04 2011 - 04:16:33 PDT)
- Urszula Uciechowska (Fri Nov 04 2011 - 02:29:32 PDT)
- FyD (Wed Nov 02 2011 - 05:40:47 PDT)
- Urszula Uciechowska (Wed Nov 02 2011 - 05:15:50 PDT)
- FyD (Wed Nov 02 2011 - 01:10:38 PDT)
- Urszula Uciechowska (Tue Nov 01 2011 - 07:53:03 PDT)
- FyD (Tue Nov 01 2011 - 07:11:09 PDT)
- Urszula Uciechowska (Tue Nov 01 2011 - 06:27:02 PDT)
- FyD (Tue Nov 01 2011 - 04:35:00 PDT)
- Urszula Uciechowska (Tue Nov 01 2011 - 01:49:48 PDT)
[AMBER] Parameters for heme C
- Konrad Hinsen (Fri Nov 25 2011 - 02:31:38 PST)
[AMBER] Parameters for Ionic liquids in AMBER
- case (Wed Nov 16 2011 - 18:53:15 PST)
- Ganesh Kamath (Wed Nov 16 2011 - 13:27:21 PST)
- Jones de Andrade (Wed Nov 16 2011 - 13:20:04 PST)
- Ganesh Kamath (Wed Nov 16 2011 - 12:48:47 PST)
[AMBER] parameters in mm/pbsa calculations
- Ray Luo, Ph.D. (Wed Nov 23 2011 - 10:31:14 PST)
- Qinghua Liao (Wed Nov 23 2011 - 05:57:20 PST)
- Bill Miller III (Wed Nov 23 2011 - 05:13:21 PST)
- Qinghua Liao (Wed Nov 23 2011 - 05:08:56 PST)
- Bill Miller III (Wed Nov 23 2011 - 04:53:56 PST)
- Qinghua Liao (Wed Nov 23 2011 - 04:45:42 PST)
[AMBER] Passing the free-format flag to files in sander and nmode
- Michael Sternberg (Fri Nov 11 2011 - 08:01:50 PST)
- Jason Swails (Thu Nov 10 2011 - 06:33:46 PST)
- case (Thu Nov 10 2011 - 05:17:26 PST)
- Michael Sternberg (Thu Nov 10 2011 - 00:03:25 PST)
- Jason Swails (Wed Nov 09 2011 - 21:51:49 PST)
- case (Wed Nov 09 2011 - 19:08:55 PST)
[AMBER] PB Bomb in pb_atmlist(): maxnba too short
- Ray Luo, Ph.D. (Wed Nov 02 2011 - 17:10:08 PDT)
- Ray Luo, Ph.D. (Tue Nov 01 2011 - 21:04:04 PDT)
- manikanthan bhavaraju (Tue Nov 01 2011 - 18:06:53 PDT)
- Ray Luo, Ph.D. (Tue Nov 01 2011 - 18:02:53 PDT)
- manikanthan bhavaraju (Tue Nov 01 2011 - 17:58:03 PDT)
- Ray Luo, Ph.D. (Tue Nov 01 2011 - 17:50:50 PDT)
- manikanthan bhavaraju (Tue Nov 01 2011 - 12:41:04 PDT)
- manikanthan bhavaraju (Tue Nov 01 2011 - 11:47:30 PDT)
[AMBER] pdb file with a covalently linked nerve agent
- David A Case (Mon Nov 28 2011 - 10:04:32 PST)
- Urszula Uciechowska (Mon Nov 28 2011 - 05:45:49 PST)
[AMBER] Phi/psi to free energies
- Ben Roberts (Thu Nov 17 2011 - 10:39:55 PST)
- Lekpa Duukori (Fri Nov 11 2011 - 08:23:36 PST)
[AMBER] please help me
- David A Case (Wed Nov 02 2011 - 04:49:17 PDT)
- pancham lal gupta (Wed Nov 02 2011 - 03:21:42 PDT)
[AMBER] PLUMED release 1.3 available
- Massimiliano Bonomi (Wed Nov 09 2011 - 07:11:50 PST)
[AMBER] polymer blend
- Changwoo Do (Sun Nov 20 2011 - 09:45:07 PST)
[AMBER] post MD energy calculations
- peker milas (Wed Nov 02 2011 - 10:35:05 PDT)
- David A Case (Wed Nov 02 2011 - 10:24:03 PDT)
- peker milas (Wed Nov 02 2011 - 09:39:19 PDT)
[AMBER] Pre-equilibrium of REMD simulations
- Carlos Simmerling (Mon Nov 14 2011 - 06:17:52 PST)
- ÏéÇ« ¿× (Mon Nov 14 2011 - 06:15:57 PST)
[AMBER] problem in leap
- Qinghua Liao (Wed Nov 16 2011 - 12:17:34 PST)
- David A Case (Wed Nov 16 2011 - 06:26:00 PST)
- Qinghua Liao (Wed Nov 16 2011 - 01:16:29 PST)
[AMBER] problem in solvation
- Bill Ross (Wed Nov 09 2011 - 14:22:12 PST)
- Senthil Natesan (Wed Nov 09 2011 - 14:20:30 PST)
- Jason Swails (Wed Nov 09 2011 - 13:55:40 PST)
- David A Case (Wed Nov 09 2011 - 13:30:31 PST)
- Senthil Natesan (Wed Nov 09 2011 - 11:22:42 PST)
- Senthil Natesan (Wed Nov 09 2011 - 11:11:50 PST)
- Bill Ross (Wed Nov 09 2011 - 08:53:10 PST)
- Bill Ross (Wed Nov 09 2011 - 08:25:10 PST)
- Jan-Philip Gehrcke (Wed Nov 09 2011 - 07:52:06 PST)
- Jan-Philip Gehrcke (Wed Nov 09 2011 - 07:38:05 PST)
- David A Case (Wed Nov 09 2011 - 07:22:19 PST)
- Bill Ross (Wed Nov 09 2011 - 06:37:36 PST)
- Senthil Natesan (Wed Nov 09 2011 - 04:59:39 PST)
- Jan-Philip Gehrcke (Wed Nov 09 2011 - 02:21:28 PST)
- Bill Ross (Tue Nov 08 2011 - 15:13:03 PST)
- Bill Ross (Tue Nov 08 2011 - 15:08:30 PST)
- Bill Ross (Tue Nov 08 2011 - 15:05:19 PST)
- Senthil Natesan (Tue Nov 08 2011 - 14:51:00 PST)
- Bill Ross (Tue Nov 08 2011 - 14:29:12 PST)
- Brian Radak (Tue Nov 08 2011 - 11:49:26 PST)
- Senthil Natesan (Tue Nov 08 2011 - 11:04:01 PST)
- Brian Radak (Tue Nov 08 2011 - 10:54:29 PST)
- Senthil Natesan (Tue Nov 08 2011 - 10:18:42 PST)
- Jan-Philip Gehrcke (Tue Nov 08 2011 - 10:06:18 PST)
- Senthil Natesan (Tue Nov 08 2011 - 09:24:50 PST)
[AMBER] problem of generating prmtop and inpcrd files of a small molecule attached with several amino acids
- case (Fri Nov 11 2011 - 04:56:48 PST)
- Qinghua Liao (Fri Nov 11 2011 - 03:06:00 PST)
- Qinghua Liao (Thu Nov 10 2011 - 11:00:32 PST)
- David A Case (Thu Nov 10 2011 - 08:21:12 PST)
- Qinghua Liao (Thu Nov 10 2011 - 05:20:43 PST)
[AMBER] problem of installation of amber 11 on ubuntu
- Jason Swails (Mon Nov 07 2011 - 07:58:32 PST)
- Qinghua Liao (Mon Nov 07 2011 - 07:07:51 PST)
- David A Case (Mon Nov 07 2011 - 06:34:20 PST)
- Qinghua Liao (Mon Nov 07 2011 - 06:24:33 PST)
- Jason Swails (Mon Nov 07 2011 - 05:45:55 PST)
- Qinghua Liao (Mon Nov 07 2011 - 05:22:34 PST)
- Qinghua Liao (Mon Nov 07 2011 - 00:10:28 PST)
[AMBER] Problem running Ptraj with CHARMM psf and dcd trajectory file
- Puspita Halder (Tue Nov 29 2011 - 21:08:36 PST)
- Daniel Roe (Mon Nov 28 2011 - 08:09:26 PST)
- Puspita Halder (Thu Nov 24 2011 - 22:28:07 PST)
[AMBER] problem with pmemd.cuda
- Scott Le Grand (Wed Nov 09 2011 - 16:17:23 PST)
- Scott Le Grand (Wed Nov 09 2011 - 12:50:23 PST)
- Pavan Giovanni (Wed Nov 09 2011 - 11:06:46 PST)
- Ross Walker (Wed Nov 09 2011 - 09:10:44 PST)
- Giovanni Pavan (Wed Nov 09 2011 - 01:07:57 PST)
[AMBER] problems in reading linrary/tleap
- FyD (Thu Nov 10 2011 - 09:59:26 PST)
- case (Thu Nov 10 2011 - 06:21:13 PST)
[AMBER] problems in reading molecule in tleap/xleap
- David A Case (Wed Nov 09 2011 - 07:02:11 PST)
- FyD (Tue Nov 08 2011 - 06:07:47 PST)
- FyD (Tue Nov 08 2011 - 03:39:52 PST)
- FyD (Sat Nov 05 2011 - 00:17:58 PDT)
- David A Case (Fri Nov 04 2011 - 07:16:44 PDT)
- Urszula Uciechowska (Fri Nov 04 2011 - 01:57:32 PDT)
- David A Case (Thu Nov 03 2011 - 11:06:36 PDT)
- Urszula Uciechowska (Thu Nov 03 2011 - 05:28:20 PDT)
[AMBER] Problems of generating prmtop and inpcrd files for ligand-receptor with two Mg2+ ions --please help
- Crystal.CHIA-YU Ku (Mon Nov 21 2011 - 17:40:38 PST)
- David A. Case (Fri Nov 18 2011 - 21:13:26 PST)
- Crystal.CHIA-YU Ku (Fri Nov 18 2011 - 17:12:24 PST)
- Crystal.CHIA-YU Ku (Fri Nov 18 2011 - 14:21:07 PST)
- FyD (Fri Nov 18 2011 - 08:31:24 PST)
- David A. Case (Thu Nov 17 2011 - 19:26:42 PST)
- Crystal.CHIA-YU Ku (Thu Nov 17 2011 - 16:32:03 PST)
- David A Case (Thu Nov 17 2011 - 08:33:26 PST)
- David A Case (Wed Nov 16 2011 - 13:24:06 PST)
- Crystal.CHIA-YU Ku (Wed Nov 16 2011 - 11:08:18 PST)
- case (Tue Nov 15 2011 - 18:06:41 PST)
- case (Tue Nov 15 2011 - 17:59:16 PST)
- Crystal.CHIA-YU Ku (Tue Nov 15 2011 - 15:42:58 PST)
- Crystal.CHIA-YU Ku (Tue Nov 15 2011 - 14:24:00 PST)
- Irene Newhouse (Tue Nov 15 2011 - 11:26:15 PST)
- David A Case (Tue Nov 15 2011 - 05:29:02 PST)
- David A Case (Tue Nov 15 2011 - 05:26:06 PST)
- Crystal.CHIA-YU Ku (Mon Nov 14 2011 - 16:33:02 PST)
- Crystal.CHIA-YU Ku (Mon Nov 14 2011 - 14:42:43 PST)
- case (Mon Nov 14 2011 - 14:29:27 PST)
- Crystal.CHIA-YU Ku (Mon Nov 14 2011 - 11:52:12 PST)
- case (Fri Nov 11 2011 - 19:36:39 PST)
- Crystal.CHIA-YU Ku (Fri Nov 11 2011 - 17:47:51 PST)
- case (Fri Nov 11 2011 - 15:05:32 PST)
- Crystal.CHIA-YU Ku (Fri Nov 11 2011 - 13:48:18 PST)
[AMBER] problems of MMPBSA.py.MPI
- Qinghua Liao (Mon Nov 14 2011 - 23:37:34 PST)
- Jason Swails (Mon Nov 14 2011 - 14:58:59 PST)
- Qinghua Liao (Mon Nov 14 2011 - 12:54:03 PST)
[AMBER] Problems with AmberTools compilation under Debian
- James Starlight (Tue Nov 01 2011 - 05:04:35 PDT)
- David A Case (Tue Nov 01 2011 - 05:01:50 PDT)
- James Starlight (Tue Nov 01 2011 - 00:05:18 PDT)
[AMBER] problems with MCBP parametrization
- Andrew Voronkov (Mon Nov 21 2011 - 08:07:19 PST)
- Yang, Yue (Fri Nov 18 2011 - 12:25:41 PST)
- Martin Peters (Fri Nov 18 2011 - 09:20:50 PST)
- Andrew Voronkov (Fri Nov 18 2011 - 06:57:39 PST)
[AMBER] Problems with XLEAP
- Jason Swails (Mon Nov 07 2011 - 05:44:47 PST)
- James Starlight (Mon Nov 07 2011 - 04:52:10 PST)
- David A Case (Wed Nov 02 2011 - 06:50:02 PDT)
- James Starlight (Wed Nov 02 2011 - 04:44:20 PDT)
- David A Case (Tue Nov 01 2011 - 08:56:05 PDT)
- James Starlight (Tue Nov 01 2011 - 07:47:34 PDT)
- David A Case (Tue Nov 01 2011 - 07:34:08 PDT)
- James Starlight (Tue Nov 01 2011 - 06:06:55 PDT)
- James Starlight (Tue Nov 01 2011 - 04:56:24 PDT)
- Pavan Giovanni (Tue Nov 01 2011 - 04:33:40 PDT)
- James Starlight (Tue Nov 01 2011 - 04:17:38 PDT)
- Pavan Giovanni (Tue Nov 01 2011 - 03:51:15 PDT)
- James Starlight (Tue Nov 01 2011 - 03:44:07 PDT)
[AMBER] Protein structure heating into a mess
- Xiaozhou Li (Mon Nov 07 2011 - 09:33:43 PST)
- DEBOSTUTI GHOSHDASTIDAR (Mon Nov 07 2011 - 09:28:38 PST)
- DEBOSTUTI GHOSHDASTIDAR (Mon Nov 07 2011 - 09:27:54 PST)
- Xiaozhou Li (Mon Nov 07 2011 - 09:18:13 PST)
[AMBER] ptraj atomic fluctuation analysis
- Thomas Cheatham III (Tue Nov 29 2011 - 09:50:28 PST)
- Asmita Gupta (Tue Nov 29 2011 - 04:54:18 PST)
[AMBER] pulling the ligand in different directions
- Sai Kumar Ramadugu (Wed Nov 16 2011 - 10:09:34 PST)
[AMBER] q4md-forcefieldtools.org announcement
- FyD (Thu Nov 24 2011 - 12:51:26 PST)
[AMBER] QMMM SCC-DFTB: ERROR ON EWEVGE (Eigenvalue solver)
- Gustavo Seabra (Tue Nov 15 2011 - 10:54:43 PST)
- Emmanuel Baribefe Naziga (Tue Nov 15 2011 - 10:32:36 PST)
- Brian Radak (Tue Nov 15 2011 - 10:21:36 PST)
- Emmanuel Baribefe Naziga (Tue Nov 15 2011 - 10:12:11 PST)
- Adrian Roitberg (Tue Nov 15 2011 - 09:06:44 PST)
- Emmanuel Baribefe Naziga (Tue Nov 15 2011 - 09:01:49 PST)
- Brian Radak (Tue Nov 15 2011 - 05:49:51 PST)
- Emmanuel Baribefe Naziga (Mon Nov 14 2011 - 15:39:13 PST)
[AMBER] question about MMPBSA.py
- Jason Swails (Fri Nov 11 2011 - 19:18:46 PST)
- Sidney Elmer (Fri Nov 11 2011 - 15:42:18 PST)
[AMBER] question on antechamber generating parameters for a charged ligand
- fn1.rice.edu (Sat Nov 26 2011 - 14:36:08 PST)
- Dean Cuebas (Sat Nov 26 2011 - 14:02:16 PST)
- case (Fri Nov 25 2011 - 09:14:37 PST)
- Dmitry Nilov (Fri Nov 25 2011 - 07:39:16 PST)
- fn1.rice.edu (Fri Nov 25 2011 - 07:33:12 PST)
- fn1.rice.edu (Fri Nov 25 2011 - 07:25:33 PST)
- Dmitry Nilov (Fri Nov 25 2011 - 07:24:22 PST)
- ros (Fri Nov 25 2011 - 07:17:05 PST)
- fn1.rice.edu (Fri Nov 25 2011 - 06:53:24 PST)
- Dmitry Nilov (Fri Nov 25 2011 - 06:36:26 PST)
- fn1.rice.edu (Fri Nov 25 2011 - 06:17:42 PST)
[AMBER] question to R.E.D server
- intra\\sa175950 (Thu Nov 17 2011 - 07:22:38 PST)
- Urszula Uciechowska (Thu Nov 17 2011 - 05:20:26 PST)
[AMBER] Questions about LEaP: atom connect and delete hydrogen
- Tales Yuan (Wed Nov 09 2011 - 05:35:26 PST)
- Jason Swails (Tue Nov 08 2011 - 20:27:15 PST)
- Tales Yuan (Tue Nov 08 2011 - 19:06:03 PST)
[AMBER] R: how to prepare 4:4:1 methanol-chloroform-water mixture
- rameshwar prajapati (Mon Nov 28 2011 - 03:45:41 PST)
- Giovanni Pavan (Mon Nov 28 2011 - 01:22:14 PST)
[AMBER] R: problem with pmemd.cuda
- Pavan Giovanni (Fri Nov 11 2011 - 10:36:45 PST)
- Ross Walker (Thu Nov 10 2011 - 20:53:49 PST)
- Scott Le Grand (Thu Nov 10 2011 - 15:23:08 PST)
- case (Thu Nov 10 2011 - 05:22:43 PST)
- Giovanni Pavan (Thu Nov 10 2011 - 01:00:23 PST)
[AMBER] Recent mails
- Marc Baaden (Mon Nov 07 2011 - 23:48:20 PST)
[AMBER] REMD umbrella sampling
- Adrian Roitberg (Tue Nov 29 2011 - 04:31:05 PST)
- Daniel Sindhikara (Tue Nov 29 2011 - 01:48:23 PST)
- caobb0214 (Mon Nov 28 2011 - 20:13:47 PST)
[AMBER] Restarting an MD run
- Carlos Simmerling (Mon Nov 28 2011 - 06:13:44 PST)
- Jason Swails (Mon Nov 28 2011 - 06:13:17 PST)
- Beale, John (Mon Nov 28 2011 - 05:56:29 PST)
[AMBER] RMSD of one atom
- Thomas Cheatham III (Tue Nov 01 2011 - 10:38:04 PDT)
- Adrian Roitberg (Tue Nov 01 2011 - 10:34:43 PDT)
- Esam Tolba (Tue Nov 01 2011 - 10:31:41 PDT)
[AMBER] running of the sander in background in parallel state
- Brian Radak (Mon Nov 28 2011 - 14:26:21 PST)
- Ross Walker (Mon Nov 28 2011 - 10:16:48 PST)
- leila karami (Sun Nov 27 2011 - 03:30:09 PST)
[AMBER] safemem.o error while compiling Ambertools 1.5
- Josmar R. da Rocha (Thu Nov 03 2011 - 06:49:34 PDT)
- Andrew Voronkov (Thu Nov 03 2011 - 02:53:42 PDT)
[AMBER] Sander
- case (Fri Nov 25 2011 - 05:10:36 PST)
- kanika sharma (Fri Nov 25 2011 - 03:09:23 PST)
[AMBER] sander error
- David A Case (Fri Nov 04 2011 - 10:48:20 PDT)
- Ben Roberts (Thu Nov 03 2011 - 15:11:30 PDT)
- Charles Johnson (Thu Nov 03 2011 - 11:11:51 PDT)
- David A Case (Thu Nov 03 2011 - 11:06:53 PDT)
- Ben Roberts (Thu Nov 03 2011 - 11:00:08 PDT)
- Charles Johnson (Thu Nov 03 2011 - 10:57:29 PDT)
- Ben Roberts (Thu Nov 03 2011 - 10:50:46 PDT)
- Charles Johnson (Thu Nov 03 2011 - 10:20:07 PDT)
- Ben Roberts (Thu Nov 03 2011 - 10:15:54 PDT)
- Charles Johnson (Thu Nov 03 2011 - 10:06:17 PDT)
- Ben Roberts (Thu Nov 03 2011 - 08:24:18 PDT)
- Charles Johnson (Thu Nov 03 2011 - 07:24:08 PDT)
[AMBER] sander simulated annealing
- David A Case (Wed Nov 02 2011 - 10:18:46 PDT)
- Brian Radak (Wed Nov 02 2011 - 10:02:13 PDT)
- Charles Johnson (Wed Nov 02 2011 - 09:32:02 PDT)
- Brian Radak (Wed Nov 02 2011 - 09:24:45 PDT)
- Charles Johnson (Wed Nov 02 2011 - 08:53:50 PDT)
[AMBER] Segmentation fault - LeAP - Ring structure
- David A. Case (Fri Nov 18 2011 - 21:18:25 PST)
- Jason Swails (Fri Nov 18 2011 - 07:59:43 PST)
- David A Case (Fri Nov 18 2011 - 07:55:47 PST)
- Volker Lesch (Fri Nov 18 2011 - 05:45:33 PST)
[AMBER] Segmentation fault in ptraj clustering
- Seungyeul Yoo (Fri Nov 04 2011 - 12:17:56 PDT)
[AMBER] Select cuda ID device in PMEMD
- Ross Walker (Fri Nov 18 2011 - 09:41:13 PST)
- Gonzalo Jimenez (Thu Nov 17 2011 - 23:05:24 PST)
- Gonzalo Jimenez (Thu Nov 17 2011 - 22:19:15 PST)
- Ross Walker (Thu Nov 17 2011 - 21:19:22 PST)
- Ross Walker (Thu Nov 17 2011 - 21:10:13 PST)
- Gonzalo Jimenez (Thu Nov 17 2011 - 21:04:26 PST)
- Jason Swails (Thu Nov 17 2011 - 20:55:17 PST)
- Gonzalo Jimenez (Thu Nov 17 2011 - 19:43:48 PST)
- Gonzalo Jimenez (Thu Nov 17 2011 - 19:14:34 PST)
[AMBER] separate build and install dirs?
- Michael Sternberg (Wed Nov 09 2011 - 12:49:03 PST)
- Bill Ross (Wed Nov 09 2011 - 10:34:06 PST)
- Michael Sternberg (Wed Nov 09 2011 - 09:31:02 PST)
- Ben Roberts (Mon Nov 07 2011 - 15:18:15 PST)
- Michael Sternberg (Mon Nov 07 2011 - 15:01:19 PST)
[AMBER] Softcore TI.
- steinbrt.rci.rutgers.edu (Wed Nov 02 2011 - 08:51:39 PDT)
- Peter Winn (Wed Nov 02 2011 - 07:57:29 PDT)
- Ross Walker (Wed Nov 02 2011 - 07:37:08 PDT)
- steinbrt.rci.rutgers.edu (Wed Nov 02 2011 - 07:15:24 PDT)
- Peter Winn (Wed Nov 02 2011 - 05:36:16 PDT)
[AMBER] Softcore TI. now with data!
- steinbrt.rci.rutgers.edu (Thu Nov 03 2011 - 03:39:47 PDT)
[AMBER] Some questions in cluster output
- qiao xue (Wed Nov 02 2011 - 19:52:31 PDT)
[AMBER] Some questions of cluster analysis
- Thomas Cheatham (Sun Nov 06 2011 - 14:48:20 PST)
- qiao xue (Sat Nov 05 2011 - 08:31:50 PDT)
[AMBER] sp3d hybridization
- Jason Swails (Tue Nov 29 2011 - 06:23:00 PST)
- Lee Lior (Tue Nov 29 2011 - 05:21:02 PST)
[AMBER] Spherical Coordinates & Pulling Ligand
- Sai Kumar Ramadugu (Thu Nov 17 2011 - 09:09:25 PST)
[AMBER] Stability of water force fields
- Jiri Sponer (Tue Nov 22 2011 - 05:35:54 PST)
- David A Case (Tue Nov 22 2011 - 05:35:42 PST)
- Bruno Rodrigues (Mon Nov 21 2011 - 09:32:40 PST)
- David A Case (Mon Nov 21 2011 - 09:04:46 PST)
- Bruno Rodrigues (Mon Nov 21 2011 - 04:30:21 PST)
[AMBER] Sufficient CPU cores/GPU ratio ?
- Marek Maly (Wed Nov 30 2011 - 14:39:37 PST)
- Ross Walker (Wed Nov 30 2011 - 14:31:00 PST)
- filip fratev (Wed Nov 30 2011 - 14:09:27 PST)
- Marek Maly (Tue Nov 29 2011 - 15:39:05 PST)
- Scott Le Grand (Tue Nov 29 2011 - 13:16:01 PST)
- Jodi Ann Hadden (Tue Nov 29 2011 - 09:43:19 PST)
[AMBER] test_amber_cuda.sh requires small fix
- case (Wed Nov 02 2011 - 18:41:33 PDT)
- Jason Swails (Wed Nov 02 2011 - 12:03:27 PDT)
- Jan-Philip Gehrcke (Wed Nov 02 2011 - 11:24:07 PDT)
- Ross Walker (Wed Nov 02 2011 - 11:14:27 PDT)
- Jason Swails (Wed Nov 02 2011 - 10:27:41 PDT)
- Jan-Philip Gehrcke (Wed Nov 02 2011 - 08:13:39 PDT)
[AMBER] top2mol2 charges output in mol2
- Jio M (Tue Nov 29 2011 - 02:55:08 PST)
- David A Case (Mon Nov 28 2011 - 06:44:42 PST)
- Jio M (Fri Nov 25 2011 - 11:49:30 PST)
- case (Fri Nov 25 2011 - 09:27:32 PST)
- Jio M (Fri Nov 25 2011 - 08:19:32 PST)
[AMBER] Two LMOD questions
- Sarah Edwards (Fri Nov 04 2011 - 14:39:19 PDT)
- David A Case (Fri Nov 04 2011 - 07:20:28 PDT)
- Daniel Roe (Thu Nov 03 2011 - 14:57:29 PDT)
- Sarah Edwards (Thu Nov 03 2011 - 12:11:23 PDT)
[AMBER] using AmberTools on Desmond trajectories
- Bill Ross (Wed Nov 02 2011 - 17:35:17 PDT)
- Thomas Cheatham III (Wed Nov 02 2011 - 16:16:09 PDT)
- Ozen, Aysegul (Wed Nov 02 2011 - 15:48:52 PDT)
[AMBER] Using nrespa with NPT
- Sasha Perkins (Sun Nov 27 2011 - 08:58:10 PST)
- Jason Swails (Sun Nov 27 2011 - 02:16:18 PST)
- Bill Ross (Sat Nov 26 2011 - 14:46:45 PST)
- Sasha Perkins (Sat Nov 26 2011 - 14:40:33 PST)
[AMBER] Visualization of Cluster analysis results
- wrong string (Fri Nov 04 2011 - 22:42:47 PDT)
[AMBER] Xleap pdb editing
- David A Case (Thu Nov 10 2011 - 13:38:15 PST)
- James Starlight (Thu Nov 10 2011 - 11:48:23 PST)
- David A Case (Thu Nov 10 2011 - 10:57:58 PST)
- James Starlight (Thu Nov 10 2011 - 10:31:42 PST)
- David A Case (Thu Nov 10 2011 - 08:18:46 PST)
- James Starlight (Thu Nov 10 2011 - 07:47:15 PST)
[AMBER] ZAFF parametrization problem , parameters not saved, could not find bond parameters
- Andrew Voronkov (Thu Nov 10 2011 - 13:21:21 PST)
Compilation fail of amberTools 1.2 for amber10 support
- Jose Borreguero (Wed Nov 16 2011 - 08:20:06 PST)
small fix suggested
- David A Case (Tue Nov 15 2011 - 04:44:56 PST)
- Jan-Philip Gehrcke (Tue Nov 15 2011 - 03:48:13 PST)
- M. L. Dodson (Fri Nov 11 2011 - 07:00:38 PST)
- Jan-Philip Gehrcke (Fri Nov 11 2011 - 02:00:09 PST)
- M. L. Dodson (Thu Nov 10 2011 - 15:35:10 PST)
- Jan-Philip Gehrcke (Thu Nov 10 2011 - 14:35:12 PST)
- Jan-Philip Gehrcke (Thu Nov 10 2011 - 14:32:30 PST)
- M. L. Dodson (Thu Nov 10 2011 - 13:50:09 PST)
- M. L. Dodson (Thu Nov 10 2011 - 13:30:19 PST)
- M. L. Dodson (Thu Nov 10 2011 - 13:09:35 PST)
- Jan-Philip Gehrcke (Thu Nov 10 2011 - 11:26:20 PST)

Amber Archive Nov 2011 by subject