Amber Archive Aug 2011: by subject

[AMBER] "softcore potential" problem in TI calculation
- Victor Ma (Wed Aug 03 2011 - 08:25:50 PDT)
- steinbrt.rci.rutgers.edu (Wed Aug 03 2011 - 07:58:00 PDT)
- Victor Ma (Wed Aug 03 2011 - 07:29:11 PDT)
[AMBER] 1st shell WITH solvent in ptraj
- Niel Henriksen (Fri Aug 05 2011 - 08:02:06 PDT)
- Bruno Rodrigues (Fri Aug 05 2011 - 05:53:57 PDT)
- Niel Henriksen (Thu Aug 04 2011 - 16:39:02 PDT)
- Bruno Rodrigues (Thu Aug 04 2011 - 16:02:07 PDT)
[AMBER] 2011年7月20日 19:53:32 自动保存草稿
- Jason Swails (Tue Aug 02 2011 - 04:35:38 PDT)
- zhouhaibin2008.ok (Tue Aug 02 2011 - 01:20:53 PDT)
[AMBER] 6 error: No torsion terms for ca-ca-ce-c2
- Jason Swails (Thu Aug 04 2011 - 09:25:24 PDT)
- Shulin Zhuang (Thu Aug 04 2011 - 09:03:51 PDT)
[AMBER] [Amber] Amber vs ab initio
- David Cantu (Tue Aug 02 2011 - 19:33:36 PDT)
- Steven M. Graham (Tue Aug 02 2011 - 09:33:35 PDT)
[AMBER] [q4md-fft] General Question about Charge Derivation using RESP
- FyD (Tue Aug 23 2011 - 23:41:58 PDT)
- Ismail, Mohd F. (Tue Aug 23 2011 - 09:17:26 PDT)
- FyD (Sat Aug 20 2011 - 01:16:37 PDT)
[AMBER] _mmpbsa_py_energy error durint PB calculations
- Jason Swails (Fri Aug 26 2011 - 18:49:44 PDT)
- 鶴井博理 (Tue Aug 16 2011 - 17:58:15 PDT)
- 鶴井博理 (Tue Aug 16 2011 - 17:02:09 PDT)
- Jason Swails (Tue Aug 16 2011 - 04:20:48 PDT)
- Ray Luo, Ph.D. (Mon Aug 15 2011 - 21:36:28 PDT)
- 鶴井博理 (Mon Aug 15 2011 - 20:06:18 PDT)
- Hiromichi Tsurui (Sun Aug 14 2011 - 17:12:58 PDT)
- Jason Swails (Sun Aug 14 2011 - 07:20:48 PDT)
- HIromichi Tsurui (Sun Aug 14 2011 - 04:30:49 PDT)
[AMBER] About Charge Assigning Method using Gaff
- David A Case (Fri Aug 05 2011 - 06:36:09 PDT)
- Bin Wu (Thu Aug 04 2011 - 11:37:05 PDT)
[AMBER] About installation problems
- Mo Chen (Fri Aug 05 2011 - 15:38:31 PDT)
- Carlos Sosa (Fri Aug 05 2011 - 14:43:59 PDT)
- Mo Chen (Fri Aug 05 2011 - 14:34:32 PDT)
[AMBER] About running sander parallel
- Jason Swails (Tue Aug 02 2011 - 17:09:44 PDT)
- Aimin (Tue Aug 02 2011 - 16:56:22 PDT)
- Jason Swails (Mon Aug 01 2011 - 20:37:30 PDT)
- Ross Walker (Mon Aug 01 2011 - 18:31:28 PDT)
- Aimin (Mon Aug 01 2011 - 18:07:28 PDT)
- Ross Walker (Mon Aug 01 2011 - 17:25:06 PDT)
- Aimin (Mon Aug 01 2011 - 16:41:52 PDT)
- Aimin (Mon Aug 01 2011 - 11:39:54 PDT)
- Ross Walker (Mon Aug 01 2011 - 11:21:20 PDT)
- Aimin (Mon Aug 01 2011 - 11:04:36 PDT)
[AMBER] About sudden simulation box twist
- Bin Wu (Thu Aug 25 2011 - 14:13:31 PDT)
- Thomas Cheatham III (Thu Aug 25 2011 - 13:36:08 PDT)
- Bin Wu (Wed Aug 24 2011 - 15:36:00 PDT)
- Thomas Cheatham III (Wed Aug 24 2011 - 15:23:29 PDT)
- Bin Wu (Wed Aug 24 2011 - 15:16:15 PDT)
- Bin Wu (Tue Aug 23 2011 - 16:42:02 PDT)
- Jason Swails (Tue Aug 23 2011 - 15:52:36 PDT)
- Bin Wu (Tue Aug 23 2011 - 15:43:52 PDT)
- Jason Swails (Tue Aug 23 2011 - 14:30:55 PDT)
- Adrian Roitberg (Tue Aug 23 2011 - 14:40:55 PDT)
- Bin Wu (Tue Aug 23 2011 - 14:39:23 PDT)
- Adrian Roitberg (Tue Aug 23 2011 - 14:23:13 PDT)
- Bin Wu (Tue Aug 23 2011 - 14:19:34 PDT)
- Carlos Simmerling (Tue Aug 23 2011 - 13:58:16 PDT)
- Bin Wu (Tue Aug 23 2011 - 13:53:10 PDT)
[AMBER] addition of massless particle to benzene that interacts only with massless particles in other benzene molecules
- Dean Cuebas (Wed Aug 31 2011 - 08:09:24 PDT)
- Carlos Simmerling (Tue Aug 09 2011 - 09:41:15 PDT)
- Jason Swails (Tue Aug 09 2011 - 09:25:10 PDT)
- Tan Yaw Sing (Tue Aug 09 2011 - 08:20:06 PDT)
[AMBER] again GLYCAM06 + 99SB + GAFF ?
- FyD (Sat Aug 27 2011 - 00:16:34 PDT)
- FyD (Fri Aug 26 2011 - 23:31:16 PDT)
- Yun Shi (Fri Aug 26 2011 - 18:15:09 PDT)
- Yun Shi (Fri Aug 26 2011 - 11:08:06 PDT)
- FyD (Thu Aug 25 2011 - 23:56:29 PDT)
- FyD (Thu Aug 25 2011 - 23:37:29 PDT)
- FyD (Thu Aug 25 2011 - 23:15:38 PDT)
- Yun Shi (Thu Aug 25 2011 - 22:16:41 PDT)
- Yun Shi (Thu Aug 25 2011 - 11:20:10 PDT)
- Yun Shi (Thu Aug 25 2011 - 09:58:43 PDT)
- FyD (Wed Aug 24 2011 - 23:38:03 PDT)
- Yun Shi (Wed Aug 24 2011 - 16:21:23 PDT)
- Marek Maly (Mon Aug 22 2011 - 10:24:16 PDT)
- FyD (Sat Aug 20 2011 - 00:07:05 PDT)
- Lachele Foley (Lists) (Fri Aug 19 2011 - 11:54:51 PDT)
- Yun Shi (Fri Aug 19 2011 - 11:48:01 PDT)
- Lachele Foley (Lists) (Fri Aug 19 2011 - 10:39:01 PDT)
- Yun Shi (Fri Aug 19 2011 - 09:31:42 PDT)
- Lachele Foley (Lists) (Tue Aug 16 2011 - 12:39:59 PDT)
- Yun Shi (Tue Aug 16 2011 - 11:34:59 PDT)
[AMBER] Amber
- David A Case (Wed Aug 24 2011 - 06:17:17 PDT)
- Shesh Nath (Wed Aug 24 2011 - 05:44:01 PDT)
[AMBER] Amber 11 bugfix
- Jason Swails (Fri Aug 19 2011 - 08:04:54 PDT)
- Jennifer L. Muzyka (Fri Aug 19 2011 - 07:54:33 PDT)
- David A Case (Fri Aug 19 2011 - 07:51:37 PDT)
- Jennifer L. Muzyka (Fri Aug 19 2011 - 07:46:42 PDT)
[AMBER] Amber 11 bugfix/cuda update
- filip fratev (Fri Aug 19 2011 - 10:33:31 PDT)
- Ross Walker (Fri Aug 19 2011 - 10:28:26 PDT)
- Ismail, Mohd F. (Fri Aug 19 2011 - 10:23:16 PDT)
- filip fratev (Fri Aug 19 2011 - 10:20:44 PDT)
[AMBER] Amber 11 parallel installation problem
- case (Sat Aug 06 2011 - 07:54:53 PDT)
- Jason Swails (Fri Aug 05 2011 - 21:48:16 PDT)
- 于丽影 Liying E\. Yu (Fri Aug 05 2011 - 18:30:16 PDT)
[AMBER] Amber Minimization
- MUSTAFA BUGHIO (Mon Aug 15 2011 - 09:31:33 PDT)
[AMBER] AMBER11 GPGPU question
- Carlos Sosa (Tue Aug 23 2011 - 10:14:56 PDT)
[AMBER] Amber11 on SGI Altix
- Bruno Rodrigues (Fri Aug 26 2011 - 04:50:18 PDT)
- Bruno Rodrigues (Thu Aug 25 2011 - 16:12:41 PDT)
[AMBER] Amber11 re-compiling
- Jason Swails (Sat Aug 13 2011 - 06:15:04 PDT)
- Anglea A. (Sat Aug 13 2011 - 05:58:21 PDT)
[AMBER] Amberlite error
- Irene Newhouse (Tue Aug 16 2011 - 13:58:11 PDT)
[AMBER] AmberTools 1.5 nmode error
- Jason Swails (Thu Aug 04 2011 - 09:24:00 PDT)
- manikanthan bhavaraju (Thu Aug 04 2011 - 09:10:27 PDT)
[AMBER] AmberTools 1.5 top and cord files
- Jason Swails (Fri Aug 05 2011 - 05:46:40 PDT)
- Molybdos Kirkimpolakis (Thu Aug 04 2011 - 11:00:14 PDT)
- Molybdos Kirkimpolakis (Wed Aug 03 2011 - 21:43:51 PDT)
- Jason Swails (Wed Aug 03 2011 - 19:25:08 PDT)
- Molybdos Kirkimpolakis (Wed Aug 03 2011 - 15:03:18 PDT)
[AMBER] AmberTools installation difficulties on Mac OSX
- Jason Swails (Wed Aug 17 2011 - 15:00:26 PDT)
- Jennifer L. Muzyka (Wed Aug 17 2011 - 13:33:49 PDT)
[AMBER] ambpdb not installed
- Jason Swails (Tue Aug 02 2011 - 04:53:14 PDT)
- Chirag Vora (Tue Aug 02 2011 - 02:33:08 PDT)
- Bruno Rodrigues (Tue Aug 02 2011 - 02:09:04 PDT)
- Bruno Rodrigues (Tue Aug 02 2011 - 02:07:30 PDT)
- Chirag Vora (Mon Aug 01 2011 - 20:58:53 PDT)
[AMBER] Amoeba seems not work with free energy calculation
- li he (Wed Aug 10 2011 - 13:39:22 PDT)
- case (Sat Aug 06 2011 - 13:09:30 PDT)
- li he (Fri Aug 05 2011 - 13:06:21 PDT)
[AMBER] Analysing the result after simulation
- Bruno Rodrigues (Mon Aug 22 2011 - 12:29:39 PDT)
- souvik sur (Sun Aug 21 2011 - 23:27:38 PDT)
- souvik sur (Sun Aug 21 2011 - 23:27:17 PDT)
- TH Chew (Sun Aug 21 2011 - 23:01:07 PDT)
- Kshatresh Dutta Dubey (Sun Aug 21 2011 - 23:00:38 PDT)
- souvik sur (Sun Aug 21 2011 - 22:27:08 PDT)
[AMBER] Announcement: Release of DOCK 6.5
- Scott Brozell (Mon Aug 01 2011 - 07:11:33 PDT)
[AMBER] antechamber + CNT parameter
- Jagur Lambix (Fri Aug 19 2011 - 10:17:47 PDT)
- Nadine Utz (Fri Aug 19 2011 - 10:14:59 PDT)
- David A Case (Fri Aug 19 2011 - 09:54:02 PDT)
- Jagur Lambix (Fri Aug 19 2011 - 09:32:13 PDT)
[AMBER] antechamber error
- vaibhav dixit (Mon Aug 29 2011 - 09:38:04 PDT)
- case (Sun Aug 28 2011 - 06:45:03 PDT)
- vaibhav dixit (Fri Aug 26 2011 - 22:34:45 PDT)
- David A Case (Fri Aug 26 2011 - 05:35:54 PDT)
- vaibhav dixit (Thu Aug 25 2011 - 22:50:43 PDT)
- David A Case (Thu Aug 25 2011 - 07:16:54 PDT)
- Daniel Roe (Thu Aug 25 2011 - 04:19:32 PDT)
- vaibhav dixit (Thu Aug 25 2011 - 01:15:19 PDT)
- David A Case (Wed Aug 24 2011 - 08:23:10 PDT)
- vaibhav dixit (Wed Aug 24 2011 - 06:58:46 PDT)
- Jason Swails (Wed Aug 24 2011 - 04:52:30 PDT)
- vaibhav dixit (Tue Aug 23 2011 - 21:33:57 PDT)
[AMBER] Any tutorial on 3D-RISM calculation with AMBER10?
- Tyler Luchko (Fri Aug 19 2011 - 11:10:47 PDT)
- Catein Catherine (Fri Aug 19 2011 - 07:20:18 PDT)
[AMBER] Binding energy with ff02ep
- Anglea A. (Fri Aug 12 2011 - 23:35:22 PDT)
[AMBER] Calculating Cpu hours from output file
- Chris Bryant (Thu Aug 25 2011 - 19:13:04 PDT)
- Jason Swails (Thu Aug 25 2011 - 16:29:09 PDT)
- Chris Bryant (Thu Aug 25 2011 - 15:02:03 PDT)
[AMBER] calculating distance between two atoms
- Dean Cuebas (Thu Aug 11 2011 - 12:12:50 PDT)
- steinbrt.rci.rutgers.edu (Thu Aug 11 2011 - 01:25:01 PDT)
- clwg (Thu Aug 11 2011 - 00:53:37 PDT)
[AMBER] Calculation of Force during SMD
- Sai Kumar Ramadugu (Wed Aug 31 2011 - 20:27:51 PDT)
- Adrian Roitberg (Wed Aug 31 2011 - 16:09:02 PDT)
- Sai Kumar Ramadugu (Wed Aug 31 2011 - 16:04:09 PDT)
[AMBER] Can I use ptraj to cluster proteins based on residue contact map?
- Catein Catherine (Wed Aug 10 2011 - 09:54:21 PDT)
[AMBER] can non-bonded interactions be switched off?
- Jose Borreguero (Tue Aug 02 2011 - 12:33:00 PDT)
- Ross Walker (Tue Aug 02 2011 - 11:57:52 PDT)
- Jose Borreguero (Tue Aug 02 2011 - 11:39:34 PDT)
[AMBER] Can one preserve heavy atom / hydrogen atom ordering in LEaP?
- Bill Ross (Tue Aug 16 2011 - 16:21:17 PDT)
- Bill Ross (Tue Aug 16 2011 - 16:01:26 PDT)
- case (Tue Aug 16 2011 - 12:49:38 PDT)
- Fenley, Andrew (Mon Aug 15 2011 - 12:05:19 PDT)
[AMBER] CHARMM format to Amber format
- David Cantu (Mon Aug 01 2011 - 12:29:41 PDT)
- Ross Walker (Mon Aug 01 2011 - 10:30:03 PDT)
- David Cantu (Mon Aug 01 2011 - 09:59:36 PDT)
[AMBER] Chemical shift restraints
- case (Sun Aug 07 2011 - 11:14:50 PDT)
- Siavoush Dastmalchi (Sun Aug 07 2011 - 07:05:16 PDT)
- Siavoush Dastmalchi (Sun Aug 07 2011 - 07:02:08 PDT)
- Siavoush Dastmalchi (Sun Aug 07 2011 - 07:01:18 PDT)
- case (Sun Aug 07 2011 - 05:38:05 PDT)
- Siavoush Dastmalchi (Sat Aug 06 2011 - 23:54:31 PDT)
- case (Sat Aug 06 2011 - 08:02:08 PDT)
- Siavoush Dastmalchi (Sat Aug 06 2011 - 04:30:51 PDT)
[AMBER] Cholesterol and Cholesteryl hemisuccinate
- Jason Swails (Wed Aug 10 2011 - 15:15:13 PDT)
- TAEJIN KIM (Wed Aug 10 2011 - 11:43:07 PDT)
[AMBER] comments format within .mdin files
- Ross Walker (Wed Aug 17 2011 - 09:51:33 PDT)
- Yun Shi (Wed Aug 17 2011 - 08:59:14 PDT)
[AMBER] compilation problem with bugfix 1 to 17
- Hongyu Miao (Mon Aug 22 2011 - 13:49:21 PDT)
- Jason Swails (Mon Aug 22 2011 - 12:32:54 PDT)
- Hongyu Miao (Mon Aug 22 2011 - 10:50:08 PDT)
[AMBER] convert netcdf to crd
- Daniel Roe (Wed Aug 03 2011 - 10:51:37 PDT)
- moitrayee.mbu.iisc.ernet.in (Wed Aug 03 2011 - 08:44:47 PDT)
[AMBER] Coordinate resetting cannot be accomplished, deviation is too large
- Jason Swails (Thu Aug 18 2011 - 07:40:00 PDT)
- Danny Xu (Wed Aug 17 2011 - 22:01:31 PDT)
- Daniel Roe (Wed Aug 17 2011 - 21:20:34 PDT)
- Danny Xu (Wed Aug 17 2011 - 21:01:11 PDT)
- Jason Swails (Wed Aug 17 2011 - 19:56:21 PDT)
- Danny Xu (Wed Aug 17 2011 - 19:13:05 PDT)
[AMBER] coordination number
- Bruno Rodrigues (Wed Aug 10 2011 - 16:26:59 PDT)
- DEBOSTUTI GHOSHDASTIDAR (Wed Aug 10 2011 - 05:46:47 PDT)
[AMBER] could not find amber atom type F in forcefield 10
- Rajesh Raju (Wed Aug 10 2011 - 16:05:08 PDT)
- Rajesh Raju (Wed Aug 10 2011 - 14:52:49 PDT)
[AMBER] cpptraj: 1) align using a certain region 2) calc rmsd for another region
- Jan-Philip Gehrcke (Wed Aug 31 2011 - 02:25:07 PDT)
- Jason Swails (Tue Aug 30 2011 - 08:04:18 PDT)
- Jan-Philip Gehrcke (Tue Aug 30 2011 - 07:41:37 PDT)
[AMBER] Creating new reaction coordinates
- Michael F. Bruist (Fri Aug 19 2011 - 16:59:03 PDT)
[AMBER] Dihedral of quadruple of centres of mass
- Daniel Roe (Thu Aug 25 2011 - 09:17:57 PDT)
- Massimiliano Porrini (Thu Aug 25 2011 - 08:22:43 PDT)
- Daniel Roe (Thu Aug 25 2011 - 08:00:28 PDT)
- Massimiliano Porrini (Thu Aug 25 2011 - 07:34:33 PDT)
[AMBER] Dipole-dipole correlation Function
- Sindrila Dutta banik (Thu Aug 04 2011 - 09:49:15 PDT)
- Sindrila Dutta banik (Wed Aug 03 2011 - 03:13:16 PDT)
[AMBER] Distorted waters in restrained mini
- Maura Catherine Mooney (Mon Aug 08 2011 - 07:27:24 PDT)
- David A Case (Mon Aug 08 2011 - 07:12:32 PDT)
- Maura Catherine Mooney (Mon Aug 08 2011 - 06:58:39 PDT)
- David A Case (Mon Aug 08 2011 - 05:25:17 PDT)
- Maura Catherine Mooney (Sun Aug 07 2011 - 15:55:13 PDT)
- Maura Catherine Mooney (Sun Aug 07 2011 - 15:34:31 PDT)
- Carlos Simmerling (Thu Aug 04 2011 - 05:18:04 PDT)
- David A Case (Thu Aug 04 2011 - 05:11:22 PDT)
- Maura Catherine Mooney (Wed Aug 03 2011 - 12:59:18 PDT)
- David Case (Tue Aug 02 2011 - 19:43:08 PDT)
- Maura Catherine Mooney (Tue Aug 02 2011 - 15:11:28 PDT)
- David Case (Tue Aug 02 2011 - 14:57:39 PDT)
- Maura Catherine Mooney (Tue Aug 02 2011 - 14:48:00 PDT)
[AMBER] DNA-22mer
- manikanthan bhavaraju (Mon Aug 15 2011 - 11:09:28 PDT)
- Jason Swails (Sat Aug 13 2011 - 12:19:31 PDT)
- Daniel Roe (Sat Aug 13 2011 - 05:53:31 PDT)
- Bruno Rodrigues (Fri Aug 12 2011 - 16:00:14 PDT)
- manikanthan bhavaraju (Fri Aug 12 2011 - 15:27:40 PDT)
- Jason Swails (Fri Aug 12 2011 - 07:54:18 PDT)
- case (Fri Aug 12 2011 - 06:41:57 PDT)
- Jason Swails (Mon Aug 08 2011 - 14:06:28 PDT)
- ros (Mon Aug 08 2011 - 13:44:35 PDT)
- manikanthan bhavaraju (Mon Aug 08 2011 - 13:37:13 PDT)
[AMBER] dodecahedron box ?
- Brian Radak (Thu Aug 25 2011 - 08:46:24 PDT)
- E. Nihal Korkmaz (Thu Aug 04 2011 - 23:08:38 PDT)
[AMBER] Electrostatci and van der Waals energy in Amber11
- Okabe_Atsutoshi.takeda.co.jp (Tue Aug 02 2011 - 20:23:40 PDT)
[AMBER] Energy or Temperature Fluctuation
- Bruno Rodrigues (Wed Aug 03 2011 - 02:14:19 PDT)
[AMBER] EPTOT shows big difference between the different force fields
- zhouhaibin2008.ok (Fri Aug 05 2011 - 22:41:06 PDT)
- Jason Swails (Fri Aug 05 2011 - 21:59:55 PDT)
- Carlos Simmerling (Fri Aug 05 2011 - 03:25:21 PDT)
- zhouhaibin2008.ok (Thu Aug 04 2011 - 20:58:14 PDT)
- zhouhaibin2008.ok (Thu Aug 04 2011 - 17:33:00 PDT)
[AMBER] EQMMM modification
- Jason Swails (Sun Aug 07 2011 - 19:55:32 PDT)
- Anglea A. (Sun Aug 07 2011 - 07:50:28 PDT)
[AMBER] Error in mm_pbsa
- Mengjuei Hsieh (Mon Aug 22 2011 - 19:58:11 PDT)
- Ray Luo, Ph.D. (Mon Aug 22 2011 - 05:31:13 PDT)
- Ray Luo, Ph.D. (Mon Aug 22 2011 - 04:58:07 PDT)
- Esam Tolba (Mon Aug 22 2011 - 04:38:47 PDT)
[AMBER] Error in output file
- Aditya Padhi (Mon Aug 08 2011 - 04:03:34 PDT)
- Ross Walker (Fri Aug 05 2011 - 06:43:14 PDT)
- Aditya Padhi (Fri Aug 05 2011 - 02:55:38 PDT)
[AMBER] error in pmemd parallel installation
- Jason Swails (Mon Aug 08 2011 - 07:37:32 PDT)
- hari krishna (Mon Aug 08 2011 - 06:47:27 PDT)
- Jason Swails (Mon Aug 08 2011 - 06:34:24 PDT)
- hari krishna (Mon Aug 08 2011 - 06:27:12 PDT)
- Daniel Roe (Mon Aug 08 2011 - 06:15:16 PDT)
- hari krishna (Mon Aug 08 2011 - 05:42:29 PDT)
- David A Case (Mon Aug 08 2011 - 05:15:56 PDT)
- hari krishna (Sun Aug 07 2011 - 23:08:52 PDT)
[AMBER] Error in pmemd.cuda: test.pmemd.cuda.pme
- Scott Le Grand (Sun Aug 28 2011 - 22:31:42 PDT)
- Zhenquan Hu (Sun Aug 28 2011 - 18:32:52 PDT)
- Ross Walker (Sun Aug 28 2011 - 06:49:31 PDT)
- zhenquan hu (Sun Aug 28 2011 - 04:44:36 PDT)
[AMBER] error running mmpbsa.py
- Jason Swails (Sat Aug 13 2011 - 05:44:39 PDT)
- Siavoush Dastmalchi (Sat Aug 13 2011 - 05:34:08 PDT)
[AMBER] Error: Amber 11 and CUDA4.0
- Ross Walker (Mon Aug 22 2011 - 22:44:12 PDT)
- c00jsw00.nchc.narl.org.tw (Mon Aug 22 2011 - 22:27:12 PDT)
- Ross Walker (Mon Aug 22 2011 - 22:07:05 PDT)
- Ismail, Mohd F. (Mon Aug 22 2011 - 22:03:16 PDT)
- c00jsw00.nchc.narl.org.tw (Mon Aug 22 2011 - 22:01:35 PDT)
- c00jsw00.nchc.narl.org.tw (Mon Aug 22 2011 - 21:59:53 PDT)
[AMBER] ESPGEN
- Niel Henriksen (Thu Aug 25 2011 - 14:40:17 PDT)
- Jason Swails (Tue Aug 23 2011 - 14:40:30 PDT)
- Niel Henriksen (Tue Aug 23 2011 - 14:33:24 PDT)
- Jason Swails (Tue Aug 23 2011 - 14:21:13 PDT)
- William Wei (Tue Aug 23 2011 - 13:03:31 PDT)
- Jason Swails (Mon Aug 22 2011 - 14:30:52 PDT)
- William Wei (Mon Aug 22 2011 - 14:23:20 PDT)
[AMBER] espgen cannot generate esp file
- Reza Aditama (Thu Aug 11 2011 - 00:57:36 PDT)
[AMBER] Executing Parmchk
- Jason Swails (Thu Aug 18 2011 - 07:36:06 PDT)
- madhumita das (Thu Aug 18 2011 - 03:25:17 PDT)
[AMBER] Failure kReduceSoluteCOM with GPU
- Scott Le Grand (Tue Aug 09 2011 - 11:29:01 PDT)
- Ismail, Mohd F. (Tue Aug 09 2011 - 11:14:33 PDT)
- Scott Le Grand (Tue Aug 09 2011 - 10:28:34 PDT)
- Jason Swails (Tue Aug 09 2011 - 09:15:05 PDT)
- Scott Le Grand (Tue Aug 09 2011 - 09:03:23 PDT)
- Ismail, Mohd F. (Tue Aug 09 2011 - 07:47:05 PDT)
- Scott Le Grand (Mon Aug 01 2011 - 19:09:06 PDT)
[AMBER] fftw-2.1.5 and Fedora
- Dmitry Mukha (Tue Aug 23 2011 - 08:37:20 PDT)
- Dmitry Mukha (Sun Aug 21 2011 - 08:51:21 PDT)
[AMBER] flip command in leap
- FyD (Wed Aug 31 2011 - 08:35:17 PDT)
- Peter Varnai (Wed Aug 31 2011 - 03:54:40 PDT)
[AMBER] folding/unfolding or just local minimum trap?
- Chinh Su Tran To (Sat Aug 27 2011 - 07:43:08 PDT)
- Carlos Simmerling (Sat Aug 27 2011 - 06:26:27 PDT)
- Chinh Su Tran To (Fri Aug 26 2011 - 05:51:57 PDT)
- Carlos Simmerling (Fri Aug 26 2011 - 04:29:23 PDT)
- Chinh Su Tran To (Fri Aug 26 2011 - 03:16:11 PDT)
[AMBER] free energy decomposition
- Sangita Kachhap (Mon Aug 08 2011 - 09:06:46 PDT)
- Jason Swails (Mon Aug 08 2011 - 06:29:21 PDT)
- David A Case (Mon Aug 08 2011 - 05:17:56 PDT)
- Sangita Kachhap (Mon Aug 08 2011 - 00:50:25 PDT)
[AMBER] Fwd: _mmpbsa_py_energy error durint PB calculations
- Ray Luo, Ph.D. (Thu Aug 18 2011 - 17:53:46 PDT)
[AMBER] Fwd: Is it possible to do REMD for a 12000 atom molecule?
- Jason Swails (Tue Aug 23 2011 - 14:18:28 PDT)
- Ross Walker (Tue Aug 23 2011 - 14:11:53 PDT)
- Carlos Simmerling (Tue Aug 23 2011 - 13:32:43 PDT)
- Dmitry Mukha (Tue Aug 23 2011 - 13:26:52 PDT)
- Carlos Simmerling (Tue Aug 23 2011 - 13:03:56 PDT)
- Carlos Simmerling (Tue Aug 23 2011 - 13:06:18 PDT)
- Adrian Roitberg (Tue Aug 23 2011 - 13:04:15 PDT)
- Dmitry Mukha (Tue Aug 23 2011 - 12:59:16 PDT)
- Carlos Simmerling (Tue Aug 23 2011 - 12:43:10 PDT)
- Dmitry Mukha (Tue Aug 23 2011 - 12:39:27 PDT)
- Carlos Simmerling (Tue Aug 23 2011 - 12:38:22 PDT)
- Dmitry Mukha (Tue Aug 23 2011 - 12:35:15 PDT)
- Adrian Roitberg (Tue Aug 23 2011 - 12:30:32 PDT)
- Carlos Simmerling (Tue Aug 23 2011 - 12:26:41 PDT)
- Dmitry Mukha (Tue Aug 23 2011 - 12:24:35 PDT)
[AMBER] Fwd: problem running with restraints
- Sangeetha B (Thu Aug 11 2011 - 07:54:42 PDT)
[AMBER] Fwd: Problem with MMPBSA.py
- Ray Luo, Ph.D. (Tue Aug 02 2011 - 09:08:36 PDT)
[AMBER] Fwd: simulating Modified residue of Cysteine attached to mercury
- FyD (Sat Aug 20 2011 - 00:18:39 PDT)
- case (Tue Aug 16 2011 - 12:53:31 PDT)
- madhumita das (Tue Aug 16 2011 - 04:24:54 PDT)
[AMBER] GAFF, Charges, and Cutoff
- Ismail, Mohd F. (Tue Aug 09 2011 - 07:53:55 PDT)
- Jason Swails (Mon Aug 08 2011 - 18:34:16 PDT)
- Ismail, Mohd F. (Mon Aug 08 2011 - 14:19:11 PDT)
[AMBER] GBSA
- Jason Swails (Thu Aug 11 2011 - 14:13:02 PDT)
- E. Nihal Korkmaz (Thu Aug 11 2011 - 14:11:42 PDT)
[AMBER] GBSA calculations for protein-protein complexes
- Carlos Simmerling (Tue Aug 09 2011 - 11:56:47 PDT)
- Catein Catherine (Tue Aug 09 2011 - 06:59:19 PDT)
- Carlos Simmerling (Tue Aug 09 2011 - 04:24:22 PDT)
- Catein Catherine (Tue Aug 09 2011 - 01:04:44 PDT)
[AMBER] GBSA calculations with MgATP ligand
- Jason Swails (Tue Aug 09 2011 - 19:43:38 PDT)
- Irene Newhouse (Tue Aug 09 2011 - 19:37:24 PDT)
- filip fratev (Tue Aug 09 2011 - 19:16:35 PDT)
- Irene Newhouse (Tue Aug 09 2011 - 13:58:46 PDT)
- Jason Swails (Tue Aug 09 2011 - 13:16:53 PDT)
- Irene Newhouse (Tue Aug 09 2011 - 12:47:35 PDT)
[AMBER] General questions about POL3 and AMOEBA timings
- D.G. Sprous, PhD (Wed Aug 17 2011 - 08:18:31 PDT)
[AMBER] Get access to my pictures and more
- Navanath Kumbhar (Sun Aug 14 2011 - 22:46:56 PDT)
[AMBER] GPGPU AMBER11 question
- Carlos Sosa (Fri Aug 26 2011 - 08:21:28 PDT)
- Ross Walker (Thu Aug 25 2011 - 20:19:34 PDT)
- Carlos P Sosa (Thu Aug 25 2011 - 12:27:44 PDT)
- Carlos Sosa (Wed Aug 24 2011 - 14:17:36 PDT)
- Carlos P Sosa (Tue Aug 23 2011 - 11:30:14 PDT)
[AMBER] hbond atom mask in cpptraj
- mirage . (Mon Aug 22 2011 - 09:21:29 PDT)
- Daniel Roe (Mon Aug 22 2011 - 08:47:35 PDT)
- mirage . (Sat Aug 20 2011 - 16:16:46 PDT)
- Jason Swails (Sat Aug 20 2011 - 11:27:30 PDT)
- mirage . (Sat Aug 20 2011 - 10:50:12 PDT)
- mirage . (Fri Aug 19 2011 - 16:19:12 PDT)
[AMBER] Hot to compare to contact map instead of visually?
- Catein Catherine (Fri Aug 12 2011 - 00:45:42 PDT)
[AMBER] How to calculate the electrostatic contribution to "solvation free energy"?
- Jason Swails (Thu Aug 11 2011 - 06:52:49 PDT)
- Jan-Philip Gehrcke (Thu Aug 11 2011 - 01:48:48 PDT)
- Jason Swails (Wed Aug 10 2011 - 15:55:53 PDT)
- Jan-Philip Gehrcke (Wed Aug 10 2011 - 04:58:11 PDT)
[AMBER] How to extract every 10th snapshot from mdcrd to PDB format?
- Jason Swails (Wed Aug 10 2011 - 20:17:05 PDT)
- Catein Catherine (Wed Aug 10 2011 - 20:00:09 PDT)
[AMBER] How to extract selected residues from mdcrd to PDB file using ptraj?
- Catein Catherine (Wed Aug 10 2011 - 21:06:41 PDT)
- Jason Swails (Wed Aug 10 2011 - 20:29:48 PDT)
- Catein Catherine (Wed Aug 10 2011 - 19:55:16 PDT)
[AMBER] how to fill in missing parameters in tleap?
- case (Sun Aug 28 2011 - 06:12:28 PDT)
- FyD (Fri Aug 26 2011 - 23:18:32 PDT)
- Jason Swails (Fri Aug 26 2011 - 18:48:33 PDT)
- Yun Shi (Fri Aug 26 2011 - 18:01:25 PDT)
[AMBER] How to interpret GLYCAM prep file?
- Lachele Foley (Lists) (Tue Aug 30 2011 - 14:01:19 PDT)
- Yun Shi (Tue Aug 30 2011 - 13:24:57 PDT)
- Lachele Foley (Lists) (Mon Aug 29 2011 - 16:56:12 PDT)
- Yun Shi (Mon Aug 29 2011 - 16:03:10 PDT)
- Lachele Foley (Lists) (Thu Aug 18 2011 - 12:47:01 PDT)
- Yun Shi (Thu Aug 18 2011 - 12:18:05 PDT)
- Lachele Foley (Lists) (Thu Aug 18 2011 - 11:54:29 PDT)
- Yun Shi (Thu Aug 18 2011 - 11:03:47 PDT)
- Lachele Foley (Lists) (Wed Aug 17 2011 - 19:09:57 PDT)
- Bill Ross (Wed Aug 17 2011 - 18:34:32 PDT)
- Yun Shi (Wed Aug 17 2011 - 16:52:46 PDT)
[AMBER] How to know whether the sander is running parallel
- case (Sun Aug 07 2011 - 05:50:56 PDT)
- Aimin (Sat Aug 06 2011 - 20:54:57 PDT)
- Jason Swails (Fri Aug 05 2011 - 19:23:55 PDT)
- Aimin (Fri Aug 05 2011 - 13:41:50 PDT)
- Jason Swails (Fri Aug 05 2011 - 11:50:29 PDT)
- Aimin (Fri Aug 05 2011 - 10:03:44 PDT)
- David A Case (Fri Aug 05 2011 - 09:49:26 PDT)
- tdo.chem.ucsb.edu (Fri Aug 05 2011 - 09:47:39 PDT)
- Aimin (Fri Aug 05 2011 - 09:39:27 PDT)
- David Case (Thu Aug 04 2011 - 19:02:47 PDT)
- Aimin (Thu Aug 04 2011 - 16:50:44 PDT)
[AMBER] How to make a graph of secondary structure?
- qiao xue (Wed Aug 24 2011 - 05:37:00 PDT)
[AMBER] How to patch phosphate at the 3'-end
- Hugh Heldenbrand (Tue Aug 30 2011 - 16:31:55 PDT)
- David A Case (Tue Aug 30 2011 - 13:21:54 PDT)
- Indrajit Deb (Tue Aug 30 2011 - 04:55:17 PDT)
[AMBER] how to scale energy barriers to get the harmonic constants in GAFF
- gloriarg (Fri Aug 05 2011 - 01:45:14 PDT)
[AMBER] How to specify a quantum region of a system
- Ross Walker (Wed Aug 17 2011 - 13:38:02 PDT)
- Jason Swails (Wed Aug 17 2011 - 10:38:55 PDT)
- Aimin (Wed Aug 17 2011 - 10:19:08 PDT)
[AMBER] Inpcrd file problem
- David Cantu (Thu Aug 11 2011 - 14:21:22 PDT)
- Thomas Cheatham (Thu Aug 11 2011 - 14:15:54 PDT)
- Jason Swails (Thu Aug 11 2011 - 14:12:10 PDT)
- Jason Swails (Thu Aug 11 2011 - 14:09:16 PDT)
- David Cantu (Thu Aug 11 2011 - 14:07:37 PDT)
- David Cantu (Thu Aug 11 2011 - 14:03:36 PDT)
- Daniel Roe (Thu Aug 11 2011 - 13:53:11 PDT)
- David Cantu (Thu Aug 11 2011 - 13:37:29 PDT)
- Carlos Simmerling (Thu Aug 11 2011 - 13:32:36 PDT)
- David Cantu (Thu Aug 11 2011 - 13:23:51 PDT)
- David Cantu (Thu Aug 11 2011 - 12:35:47 PDT)
- Ismail, Mohd F. (Thu Aug 11 2011 - 12:11:22 PDT)
- Ismail, Mohd F. (Thu Aug 11 2011 - 11:23:47 PDT)
- Bill Ross (Thu Aug 11 2011 - 11:15:26 PDT)
- Daniel Roe (Thu Aug 11 2011 - 11:12:56 PDT)
- David Cantu (Thu Aug 11 2011 - 10:48:25 PDT)
- Bill Ross (Thu Aug 11 2011 - 10:30:21 PDT)
- David Cantu (Thu Aug 11 2011 - 10:27:47 PDT)
- Daniel Roe (Thu Aug 11 2011 - 09:58:39 PDT)
- David Cantu (Thu Aug 11 2011 - 08:57:34 PDT)
- Daniel Roe (Thu Aug 11 2011 - 08:31:17 PDT)
- David Cantu (Thu Aug 11 2011 - 07:53:06 PDT)
[AMBER] inter & intra-molecular interaction energies
- clwg (Sun Aug 14 2011 - 06:48:54 PDT)
[AMBER] Iron in CHAMBER: chemicalSymbolToZ() cannot map symbol: FE, to a Z value
- Jason Swails (Thu Aug 18 2011 - 07:49:53 PDT)
- Mark Williamson (Wed Aug 17 2011 - 10:44:15 PDT)
- Ross Walker (Wed Aug 17 2011 - 09:44:47 PDT)
- Patrick von Glehn (Wed Aug 17 2011 - 09:20:54 PDT)
[AMBER] Is GB solvation possible with AT 1.5 sqm?
- Emmanuel Baribefe Naziga (Mon Aug 22 2011 - 12:45:31 PDT)
[AMBER] Is it possible to do REMD for a 12000 atom molecule?
- Carlos Simmerling (Tue Aug 23 2011 - 17:53:07 PDT)
- Catein Catherine (Tue Aug 23 2011 - 17:51:28 PDT)
- Adrian Roitberg (Tue Aug 23 2011 - 10:49:23 PDT)
- Carlos Simmerling (Tue Aug 23 2011 - 10:44:47 PDT)
- Catein Catherine (Tue Aug 23 2011 - 10:18:32 PDT)
[AMBER] Jarzynski and PMEMD
- Jason Swails (Thu Aug 25 2011 - 16:32:38 PDT)
- Sai Kumar Ramadugu (Thu Aug 25 2011 - 09:23:12 PDT)
[AMBER] Job Termination problem
- souvik sur (Thu Aug 04 2011 - 03:40:29 PDT)
[AMBER] LEaP for organic molecule
- Daniel Roe (Tue Aug 30 2011 - 06:03:34 PDT)
- Chidambar Kulkarni (Tue Aug 30 2011 - 05:17:33 PDT)
[AMBER] leaprc
- case (Sat Aug 13 2011 - 05:17:31 PDT)
- Charles Johnson (Fri Aug 12 2011 - 06:01:37 PDT)
- case (Thu Aug 11 2011 - 14:44:38 PDT)
- Charles Johnson (Thu Aug 11 2011 - 13:04:02 PDT)
- Ismail, Mohd F. (Thu Aug 11 2011 - 13:00:28 PDT)
- Charles Johnson (Thu Aug 11 2011 - 12:27:44 PDT)
- Ismail, Mohd F. (Thu Aug 11 2011 - 11:22:17 PDT)
- Charles Johnson (Thu Aug 11 2011 - 11:16:43 PDT)
- Charles Johnson (Thu Aug 11 2011 - 10:11:54 PDT)
[AMBER] libstdc++, Fedora14, Amber11, pmemd.cuda
- Dmitry Mukha (Fri Aug 26 2011 - 06:07:45 PDT)
- Jason Swails (Wed Aug 24 2011 - 09:48:51 PDT)
- Dmitry Mukha (Wed Aug 24 2011 - 08:00:17 PDT)
- Jason Swails (Wed Aug 24 2011 - 07:39:40 PDT)
- Dmitry Mukha (Wed Aug 24 2011 - 05:46:00 PDT)
- Jason Swails (Tue Aug 23 2011 - 14:38:46 PDT)
- Dmitry Mukha (Tue Aug 23 2011 - 12:15:43 PDT)
[AMBER] loadPdb segmentation fault
- Bill Ross (Wed Aug 03 2011 - 14:47:19 PDT)
- Jason Swails (Wed Aug 03 2011 - 09:15:17 PDT)
- Massimiliano Porrini (Wed Aug 03 2011 - 08:08:18 PDT)
- Jason Swails (Wed Aug 03 2011 - 06:43:33 PDT)
- Massimiliano Porrini (Wed Aug 03 2011 - 03:08:30 PDT)
- Jason Swails (Tue Aug 02 2011 - 21:38:22 PDT)
- Jason Swails (Tue Aug 02 2011 - 20:08:45 PDT)
- Massimiliano Porrini (Tue Aug 02 2011 - 13:42:10 PDT)
- Jason Swails (Mon Aug 01 2011 - 13:53:57 PDT)
- David A Case (Mon Aug 01 2011 - 13:03:45 PDT)
- Massimiliano Porrini (Mon Aug 01 2011 - 10:09:20 PDT)
- David A Case (Mon Aug 01 2011 - 09:50:03 PDT)
- Massimiliano Porrini (Mon Aug 01 2011 - 09:18:51 PDT)
[AMBER] loadpdb with GLYCAM_06 ?
- Yun Shi (Tue Aug 16 2011 - 11:03:53 PDT)
- Lachele Foley (Lists) (Mon Aug 15 2011 - 11:55:15 PDT)
- Yun Shi (Mon Aug 15 2011 - 11:32:09 PDT)
- Yun Shi (Mon Aug 15 2011 - 11:10:58 PDT)
- Bill Ross (Sun Aug 14 2011 - 11:31:26 PDT)
- Lachele Foley (Lists) (Sat Aug 13 2011 - 11:39:27 PDT)
- Yun Shi (Sat Aug 13 2011 - 10:09:47 PDT)
- Lachele Foley (Lists) (Sat Aug 13 2011 - 07:54:38 PDT)
- Yun Shi (Fri Aug 12 2011 - 21:26:09 PDT)
- Lachele Foley (Lists) (Fri Aug 12 2011 - 19:27:09 PDT)
- Yun Shi (Fri Aug 12 2011 - 19:11:27 PDT)
- Lachele Foley (Lists) (Fri Aug 12 2011 - 11:28:42 PDT)
- Yun Shi (Fri Aug 12 2011 - 10:53:29 PDT)
- Lachele Foley (Lists) (Fri Aug 12 2011 - 10:29:32 PDT)
- Yun Shi (Fri Aug 12 2011 - 10:19:59 PDT)
- Oliver Grant (Fri Aug 12 2011 - 10:00:31 PDT)
- Sushil Mishra (Thu Aug 11 2011 - 21:48:11 PDT)
- Yun Shi (Thu Aug 11 2011 - 20:42:52 PDT)
[AMBER] Major GPU Update Released
- Dmitry Mukha (Fri Aug 26 2011 - 09:41:42 PDT)
- Scott Le Grand (Tue Aug 23 2011 - 08:43:28 PDT)
- Dmitry Mukha (Tue Aug 23 2011 - 06:51:52 PDT)
- Scott Le Grand (Sun Aug 21 2011 - 14:59:14 PDT)
- filip fratev (Sun Aug 21 2011 - 13:58:29 PDT)
- Scott Le Grand (Sun Aug 21 2011 - 13:34:35 PDT)
- Dmitry Mukha (Sun Aug 21 2011 - 13:27:36 PDT)
- Scott Le Grand (Sun Aug 21 2011 - 12:17:32 PDT)
- Dmitry Mukha (Sun Aug 21 2011 - 10:24:29 PDT)
- Jason Swails (Sun Aug 21 2011 - 10:17:34 PDT)
- Dmitry Mukha (Sun Aug 21 2011 - 10:13:31 PDT)
- filip fratev (Sun Aug 21 2011 - 03:12:27 PDT)
- Santosh Mogurampelly (Sat Aug 20 2011 - 21:39:00 PDT)
- Scott Le Grand (Sat Aug 20 2011 - 19:18:59 PDT)
- Ross Walker (Sat Aug 20 2011 - 19:01:04 PDT)
- filip fratev (Sat Aug 20 2011 - 18:20:16 PDT)
- Scott Le Grand (Sat Aug 20 2011 - 16:04:04 PDT)
- filip fratev (Sat Aug 20 2011 - 14:18:09 PDT)
- filip fratev (Sat Aug 20 2011 - 14:15:08 PDT)
- Danny Xu (Sat Aug 20 2011 - 12:51:46 PDT)
- Ismail, Mohd F. (Sat Aug 20 2011 - 11:13:46 PDT)
- filip fratev (Sat Aug 20 2011 - 10:32:52 PDT)
- Ross Walker (Sat Aug 20 2011 - 08:40:46 PDT)
- filip fratev (Sat Aug 20 2011 - 07:16:55 PDT)
- filip fratev (Sat Aug 20 2011 - 07:02:58 PDT)
- filip fratev (Sat Aug 20 2011 - 06:46:13 PDT)
- Santosh Mogurampelly (Sat Aug 20 2011 - 02:39:06 PDT)
- Levi Pierce (Sat Aug 20 2011 - 00:20:43 PDT)
- Scott Le Grand (Fri Aug 19 2011 - 16:37:50 PDT)
- filip fratev (Fri Aug 19 2011 - 16:08:43 PDT)
- Ismail, Mohd F. (Fri Aug 19 2011 - 11:06:18 PDT)
- Ross Walker (Fri Aug 19 2011 - 11:02:12 PDT)
- Ismail, Mohd F. (Fri Aug 19 2011 - 10:47:46 PDT)
- Ross Walker (Fri Aug 19 2011 - 10:44:26 PDT)
- Ye MEI (Fri Aug 19 2011 - 10:39:38 PDT)
- Ross Walker (Fri Aug 19 2011 - 10:20:38 PDT)
- Ismail, Mohd F. (Fri Aug 19 2011 - 10:14:58 PDT)
- filip fratev (Fri Aug 19 2011 - 09:39:14 PDT)
- Ross Walker (Fri Aug 19 2011 - 08:22:59 PDT)
[AMBER] MD output files
- Jason Swails (Tue Aug 23 2011 - 04:23:48 PDT)
- George Tzotzos (Tue Aug 23 2011 - 04:05:01 PDT)
[AMBER] MD stop but this job in cluster still run
- Marc van der Kamp (Sun Aug 07 2011 - 00:38:03 PDT)
- tien dung (Sat Aug 06 2011 - 17:00:41 PDT)
- Ross Walker (Wed Aug 03 2011 - 11:26:54 PDT)
- Jason Swails (Wed Aug 03 2011 - 11:25:54 PDT)
- Daniel Roe (Wed Aug 03 2011 - 11:02:21 PDT)
- tien dung (Wed Aug 03 2011 - 01:51:58 PDT)
[AMBER] MMGBSA error
- Jason Swails (Mon Aug 01 2011 - 17:52:09 PDT)
- Irene Newhouse (Mon Aug 01 2011 - 14:00:16 PDT)
[AMBER] mmgbsa.py energy decomposition problem
- Jason Swails (Wed Aug 24 2011 - 15:28:15 PDT)
- Bill Miller III (Wed Aug 24 2011 - 15:27:17 PDT)
- Yi An (Wed Aug 24 2011 - 14:56:55 PDT)
[AMBER] mmpbsa calculation using amber11
- Siavoush Dastmalchi (Mon Aug 08 2011 - 04:43:14 PDT)
[AMBER] MMPBSA free energy decomposition values and total binding free energy values
- Rajesh Raju (Wed Aug 24 2011 - 16:05:35 PDT)
[AMBER] mmpbsa issues
- Jason Swails (Tue Aug 30 2011 - 07:58:27 PDT)
- sribone.fcq.unc.edu.ar (Tue Aug 30 2011 - 05:07:36 PDT)
- Neha Gandhi (Mon Aug 29 2011 - 23:43:25 PDT)
[AMBER] MMPBSA not installed in amber11
- vaibhav dixit (Tue Aug 23 2011 - 06:49:00 PDT)
- Jason Swails (Tue Aug 23 2011 - 06:28:22 PDT)
- vaibhav dixit (Tue Aug 23 2011 - 06:06:58 PDT)
- Jason Swails (Tue Aug 23 2011 - 04:20:07 PDT)
- vaibhav dixit (Tue Aug 23 2011 - 03:43:42 PDT)
[AMBER] MMPBSA.py - Entropy: Error message
- George Tzotzos (Tue Aug 09 2011 - 08:31:26 PDT)
- Bill Miller III (Tue Aug 09 2011 - 08:12:14 PDT)
- George Tzotzos (Tue Aug 09 2011 - 08:01:18 PDT)
[AMBER] MMPBSA.py parallel
- Jesper Sørensen (Mon Aug 29 2011 - 19:38:56 PDT)
- Jason Swails (Mon Aug 29 2011 - 19:32:55 PDT)
- Jesper Sørensen (Mon Aug 29 2011 - 16:53:50 PDT)
- Bill Miller III (Mon Aug 29 2011 - 16:22:11 PDT)
- Jesper Sørensen (Mon Aug 29 2011 - 16:11:01 PDT)
[AMBER] MMPBSA.py: Effect on ionic strength concentration on Delta G
- George Tzotzos (Thu Aug 11 2011 - 08:22:31 PDT)
- Jason Swails (Thu Aug 11 2011 - 08:19:29 PDT)
- George Tzotzos (Thu Aug 11 2011 - 07:47:33 PDT)
- Jason Swails (Thu Aug 11 2011 - 06:30:24 PDT)
- George Tzotzos (Thu Aug 11 2011 - 04:17:42 PDT)
- Jason Swails (Wed Aug 10 2011 - 20:13:14 PDT)
- George Tzotzos (Wed Aug 10 2011 - 16:10:24 PDT)
- Jason Swails (Wed Aug 10 2011 - 14:04:59 PDT)
- George Tzotzos (Wed Aug 10 2011 - 06:26:38 PDT)
[AMBER] mol2 to PREP
- David Cantu (Tue Aug 09 2011 - 19:39:45 PDT)
- Jason Swails (Tue Aug 09 2011 - 15:13:27 PDT)
- tdo.chem.ucsb.edu (Tue Aug 09 2011 - 15:10:19 PDT)
- David Cantu (Tue Aug 09 2011 - 15:03:16 PDT)
[AMBER] molecule out box after reimage
- Jason Swails (Thu Aug 18 2011 - 17:41:08 PDT)
- mirage . (Thu Aug 18 2011 - 15:47:25 PDT)
[AMBER] more info on using the Amber force field in NAMD
- David A Case (Wed Aug 03 2011 - 08:17:17 PDT)
- George Madalin Giambasu (Wed Aug 03 2011 - 07:35:41 PDT)
- David A Case (Wed Aug 03 2011 - 05:19:08 PDT)
[AMBER] Movement of molecules to satisfy distance constraints
- David Condon (Tue Aug 02 2011 - 10:35:46 PDT)
- David A Case (Tue Aug 02 2011 - 09:26:31 PDT)
- David Condon (Tue Aug 02 2011 - 05:24:50 PDT)
[AMBER] mutating a residue to another residue on a protein structure
- Jason Swails (Tue Aug 09 2011 - 14:04:41 PDT)
- George A. Khoury (Tue Aug 09 2011 - 13:48:33 PDT)
[AMBER] NAB for a mismatch RNA sequence
- David A Case (Wed Aug 03 2011 - 07:03:34 PDT)
- Charles Johnson (Wed Aug 03 2011 - 06:37:03 PDT)
- David A Case (Wed Aug 03 2011 - 04:27:59 PDT)
- Charles Johnson (Tue Aug 02 2011 - 10:37:56 PDT)
[AMBER] NaN Error in mdout, restrt, mdcrd, mdvel files with pmemd.cuda
- Ismail, Mohd F. (Sun Aug 28 2011 - 12:38:39 PDT)
- Ross Walker (Sat Aug 27 2011 - 16:48:31 PDT)
- Ismail, Mohd F. (Sat Aug 27 2011 - 13:13:50 PDT)
[AMBER] need suggestion about cutoff
- case (Tue Aug 09 2011 - 05:14:22 PDT)
- Catein Catherine (Tue Aug 09 2011 - 00:56:21 PDT)
- setyanto md (Tue Aug 09 2011 - 00:08:04 PDT)
- Jason Swails (Mon Aug 08 2011 - 19:56:11 PDT)
- setyanto md (Mon Aug 08 2011 - 19:09:11 PDT)
[AMBER] nmpimd heating
- Francesco Paesani (Thu Aug 25 2011 - 08:43:18 PDT)
- Andrew Petersen (Tue Aug 23 2011 - 07:19:13 PDT)
- Francesco Paesani (Sat Aug 13 2011 - 16:07:14 PDT)
- Andrew Petersen (Sat Aug 13 2011 - 08:11:03 PDT)
[AMBER] nmropt and restraint_wt
- Jason Swails (Sat Aug 20 2011 - 11:19:24 PDT)
- Danny Xu (Sat Aug 20 2011 - 10:54:52 PDT)
- case (Sat Aug 20 2011 - 09:35:23 PDT)
- Danny Xu (Sat Aug 20 2011 - 08:15:52 PDT)
- David A Case (Fri Aug 19 2011 - 11:15:34 PDT)
- Danny Xu (Fri Aug 19 2011 - 09:58:56 PDT)
[AMBER] No data for 0+2 PB PB 0 problem in Amber10 mm_pbsa
- Jason Swails (Tue Aug 16 2011 - 06:02:58 PDT)
- sribone.fcq.unc.edu.ar (Tue Aug 16 2011 - 05:12:56 PDT)
- Ray Luo, Ph.D. (Mon Aug 15 2011 - 13:48:50 PDT)
- sribone.fcq.unc.edu.ar (Mon Aug 15 2011 - 08:04:30 PDT)
[AMBER] NOE constraints labeling
- David A Case (Thu Aug 18 2011 - 04:46:35 PDT)
- marco.bartoloni.students.unibe.ch (Thu Aug 18 2011 - 03:55:32 PDT)
[AMBER] Non-identical prmtop files for PNEB
- William Cantara (Fri Aug 12 2011 - 11:40:58 PDT)
- Daniel Roe (Fri Aug 12 2011 - 10:07:21 PDT)
- William Cantara (Fri Aug 12 2011 - 05:52:21 PDT)
[AMBER] nothing wtitten in .out file after heating
- Jason Swails (Thu Aug 11 2011 - 09:57:42 PDT)
- M. L. Dodson (Thu Aug 11 2011 - 09:06:53 PDT)
- case (Thu Aug 11 2011 - 08:56:16 PDT)
- Nyla Zaman (Wed Aug 10 2011 - 23:50:51 PDT)
[AMBER] ntf parameters in energy minimization
- Qin Zhang (Tue Aug 30 2011 - 12:19:02 PDT)
- Jason Swails (Mon Aug 29 2011 - 12:45:50 PDT)
- Qin Zhang (Mon Aug 29 2011 - 10:24:51 PDT)
[AMBER] ntr=1 nmropt=1
- Fernando Martín García (Fri Aug 19 2011 - 06:37:46 PDT)
- David A Case (Fri Aug 19 2011 - 05:00:12 PDT)
- Fernando Martín García (Fri Aug 19 2011 - 03:52:14 PDT)
- Mark Williamson (Fri Aug 19 2011 - 03:38:57 PDT)
- Fernando Martín García (Fri Aug 19 2011 - 03:33:44 PDT)
- Mark Williamson (Fri Aug 19 2011 - 03:16:34 PDT)
- Fernando Martín García (Fri Aug 19 2011 - 02:40:12 PDT)
[AMBER] Nvidia M2070 Tesla ??
- arikcohen (Thu Aug 04 2011 - 13:40:45 PDT)
- Ross Walker (Thu Aug 04 2011 - 13:32:59 PDT)
- E. Nihal Korkmaz (Thu Aug 04 2011 - 13:19:50 PDT)
[AMBER] Old problem with restart
- Bruno Rodrigues (Mon Aug 22 2011 - 16:03:32 PDT)
- Bill Ross (Tue Aug 16 2011 - 16:07:44 PDT)
- Jason Swails (Tue Aug 16 2011 - 14:10:22 PDT)
- Bruno Rodrigues (Tue Aug 16 2011 - 13:27:00 PDT)
- Bruno Rodrigues (Tue Aug 16 2011 - 13:22:40 PDT)
- case (Tue Aug 16 2011 - 05:10:09 PDT)
- Marc van der Kamp (Tue Aug 16 2011 - 04:56:45 PDT)
- Bruno Rodrigues (Tue Aug 16 2011 - 04:40:00 PDT)
- Marc van der Kamp (Tue Aug 16 2011 - 04:26:07 PDT)
- Jason Swails (Tue Aug 16 2011 - 04:16:11 PDT)
- Bruno Rodrigues (Mon Aug 15 2011 - 19:32:25 PDT)
[AMBER] partial atomic charges parametarization in ff10
- Jason Swails (Tue Aug 16 2011 - 19:41:48 PDT)
- manikanthan bhavaraju (Tue Aug 16 2011 - 19:11:10 PDT)
[AMBER] PBS script
- Carlos Sosa (Tue Aug 30 2011 - 07:57:24 PDT)
- Ross Walker (Tue Aug 30 2011 - 07:37:00 PDT)
- Bruno Rodrigues (Mon Aug 29 2011 - 20:34:20 PDT)
- Bruno Rodrigues (Mon Aug 29 2011 - 15:13:53 PDT)
- Bruno Rodrigues (Mon Aug 29 2011 - 14:05:06 PDT)
- Jason Swails (Mon Aug 29 2011 - 13:59:57 PDT)
- Bruno Rodrigues (Mon Aug 29 2011 - 13:54:13 PDT)
- Jason Swails (Mon Aug 29 2011 - 13:34:25 PDT)
- Bruno Rodrigues (Mon Aug 29 2011 - 13:05:41 PDT)
[AMBER] pm6 parameters
- Andreas Goetz (Thu Aug 18 2011 - 10:46:57 PDT)
- Anglea A. (Wed Aug 17 2011 - 21:44:46 PDT)
[AMBER] pm6 parametes
- Anglea A. (Mon Aug 15 2011 - 17:28:58 PDT)
[AMBER] PMEMD installation
- Ismail, Mohd F. (Wed Aug 10 2011 - 01:31:46 PDT)
- hari krishna (Wed Aug 10 2011 - 00:20:30 PDT)
[AMBER] pmemd.cuda error
- Oliver Kuhn (Fri Aug 19 2011 - 07:59:11 PDT)
[AMBER] postdoc positions in chemical physics
- Dr. Vitaly V. Chaban (Fri Aug 26 2011 - 07:36:59 PDT)
[AMBER] Potential problem with CUDA version in release 18?
- Carlos Sosa (Thu Aug 25 2011 - 21:11:02 PDT)
- Ross Walker (Thu Aug 25 2011 - 20:19:34 PDT)
- Carlos Sosa (Thu Aug 25 2011 - 13:14:09 PDT)
- Ismail, Mohd F. (Thu Aug 25 2011 - 13:09:04 PDT)
- David A Case (Thu Aug 25 2011 - 11:53:32 PDT)
- Carlos P Sosa (Thu Aug 25 2011 - 11:04:19 PDT)
- Ismail, Mohd F. (Thu Aug 25 2011 - 10:39:48 PDT)
- Carlos P Sosa (Thu Aug 25 2011 - 10:26:39 PDT)
[AMBER] Proble related to the correlation function
- Adrian Roitberg (Wed Aug 10 2011 - 16:01:44 PDT)
- Jason Swails (Wed Aug 10 2011 - 15:57:26 PDT)
- Sindrila Dutta banik (Wed Aug 10 2011 - 06:02:54 PDT)
[AMBER] Proble related to with dipole-dipole correlation function
- Sindrila Dutta banik (Mon Aug 01 2011 - 04:55:42 PDT)
[AMBER] problem in installing xleap
- David A Case (Wed Aug 31 2011 - 11:20:11 PDT)
- sonali dhindwal (Wed Aug 31 2011 - 06:58:08 PDT)
- Chirag Vora (Wed Aug 31 2011 - 06:31:03 PDT)
- David A Case (Wed Aug 31 2011 - 05:29:10 PDT)
- Hirdesh Kumar (Wed Aug 31 2011 - 00:45:36 PDT)
- sonali dhindwal (Wed Aug 31 2011 - 00:37:25 PDT)
[AMBER] Problem installing AmverTools 1.5 on Mac
- Jason Swails (Fri Aug 19 2011 - 16:05:59 PDT)
- Daniel Roe (Fri Aug 19 2011 - 09:30:46 PDT)
- Alexej Grjasnow (Fri Aug 19 2011 - 01:49:13 PDT)
[AMBER] Problem related to the correlation function
- David Case (Wed Aug 10 2011 - 06:29:44 PDT)
- Sindrila Dutta banik (Wed Aug 10 2011 - 05:53:22 PDT)
- Sindrila Dutta banik (Mon Aug 08 2011 - 11:48:48 PDT)
- Sindrila Dutta banik (Sat Aug 06 2011 - 09:15:39 PDT)
- Sindrila Dutta banik (Fri Aug 05 2011 - 07:37:19 PDT)
- David A Case (Thu Aug 04 2011 - 11:10:38 PDT)
- Sindrila Dutta banik (Thu Aug 04 2011 - 09:59:57 PDT)
[AMBER] Problem related to the RMSD
- Bruno Rodrigues (Wed Aug 03 2011 - 02:15:21 PDT)
[AMBER] problem running with restraints
- Sangeetha B (Wed Aug 10 2011 - 05:33:44 PDT)
- Sangeetha B (Tue Aug 09 2011 - 06:33:19 PDT)
- case (Tue Aug 09 2011 - 05:24:41 PDT)
- Sangeetha B (Mon Aug 08 2011 - 23:23:10 PDT)
- Sangeetha B (Mon Aug 08 2011 - 23:22:01 PDT)
[AMBER] Problem with AT 1.5 installation
- Emmanuel Baribefe Naziga (Wed Aug 17 2011 - 20:41:45 PDT)
- Daniel Roe (Wed Aug 17 2011 - 20:17:14 PDT)
- Emmanuel Baribefe Naziga (Wed Aug 17 2011 - 19:52:19 PDT)
- David Case (Wed Aug 17 2011 - 18:57:07 PDT)
- Emmanuel Baribefe Naziga (Wed Aug 17 2011 - 18:28:40 PDT)
[AMBER] problem with Cadmium parameters and running minimization
- Ben Roberts (Fri Aug 26 2011 - 08:13:37 PDT)
- Hashem Taha (Fri Aug 26 2011 - 08:10:48 PDT)
- Ben Roberts (Fri Aug 26 2011 - 08:01:37 PDT)
- Hashem Taha (Fri Aug 26 2011 - 07:57:27 PDT)
[AMBER] problem with decomposition in mm-pbsa.pl
- moitrayee.mbu.iisc.ernet.in (Mon Aug 22 2011 - 06:00:41 PDT)
[AMBER] problem with mm_pbsa
- Bill Miller III (Tue Aug 23 2011 - 10:54:27 PDT)
- moitrayee.mbu.iisc.ernet.in (Mon Aug 22 2011 - 14:35:19 PDT)
[AMBER] Problem with MMPBSA.py
- Osman, Roman (Mon Aug 22 2011 - 09:52:14 PDT)
- Jan-Philip Gehrcke (Mon Aug 22 2011 - 09:42:58 PDT)
- Osman, Roman (Mon Aug 22 2011 - 09:12:37 PDT)
- Seungyeul Yoo (Mon Aug 22 2011 - 08:27:19 PDT)
- Osman, Roman (Sun Aug 21 2011 - 07:23:41 PDT)
[AMBER] problem with NPT equilibration stage
- Ross Walker (Wed Aug 17 2011 - 09:38:00 PDT)
- Jurica Novak (Wed Aug 17 2011 - 09:23:29 PDT)
[AMBER] problem with TI calculation, help!!
- Victor Ma (Fri Aug 26 2011 - 09:39:15 PDT)
- Niel Henriksen (Fri Aug 26 2011 - 09:31:08 PDT)
- InSuk Joung (Fri Aug 26 2011 - 09:33:01 PDT)
- Victor Ma (Fri Aug 26 2011 - 09:19:15 PDT)
[AMBER] problem with ZAFF
- Hashem Taha (Fri Aug 26 2011 - 07:19:49 PDT)
[AMBER] Problems when I wanted to restart the MD production
- Jason Swails (Thu Aug 04 2011 - 07:44:32 PDT)
- Bill Ross (Wed Aug 03 2011 - 22:48:40 PDT)
- zhouhaibin2008.ok (Wed Aug 03 2011 - 19:49:09 PDT)
- Jason Swails (Wed Aug 03 2011 - 19:31:04 PDT)
- zhouhaibin2008.ok (Wed Aug 03 2011 - 18:26:35 PDT)
[AMBER] Problems with MMPBSA and steered molecular dynamics
- Jason Swails (Tue Aug 16 2011 - 14:13:58 PDT)
- Márcio Souza Damaso (Tue Aug 16 2011 - 13:21:13 PDT)
[AMBER] Protein-sugar interactions
- Lachele Foley (Lists) (Mon Aug 01 2011 - 08:27:29 PDT)
- David A Case (Mon Aug 01 2011 - 06:46:01 PDT)
- Thomas Exner (Mon Aug 01 2011 - 06:03:59 PDT)
[AMBER] Ptraj and wrapping water molecules
- InSuk Joung (Wed Aug 31 2011 - 13:53:47 PDT)
- Sai Kumar Ramadugu (Wed Aug 31 2011 - 13:32:23 PDT)
- Ozen, Aysegul (Tue Aug 30 2011 - 12:07:49 PDT)
- Thomas Cheatham III (Thu Aug 25 2011 - 15:06:40 PDT)
- Sai Kumar Ramadugu (Thu Aug 25 2011 - 14:55:47 PDT)
[AMBER] ptraj cluster
- George Tzotzos (Mon Aug 22 2011 - 10:40:08 PDT)
- Daniel Roe (Mon Aug 22 2011 - 09:08:49 PDT)
- George Tzotzos (Sat Aug 20 2011 - 04:08:29 PDT)
[AMBER] ptraj invalid writes
- Ben Gamari (Thu Aug 25 2011 - 12:29:49 PDT)
- Daniel Roe (Tue Aug 23 2011 - 14:48:32 PDT)
- Ben Gamari (Tue Aug 23 2011 - 13:10:02 PDT)
[AMBER] PTRAJ; how to extract selected atoms from mdcrd to PDB file.
- Jason Swails (Fri Aug 12 2011 - 04:11:41 PDT)
- Catein Catherine (Thu Aug 11 2011 - 23:34:27 PDT)
[AMBER] QM runs
- case (Fri Aug 12 2011 - 06:32:11 PDT)
- Maura Catherine Mooney (Fri Aug 12 2011 - 03:37:43 PDT)
- Ross Walker (Thu Aug 11 2011 - 16:18:03 PDT)
- Maura Catherine Mooney (Thu Aug 11 2011 - 16:07:42 PDT)
[AMBER] QUASI-HARMONIC APPROXIMATION
- belal najjar (Wed Aug 10 2011 - 17:41:34 PDT)
- Bill Miller III (Sat Aug 06 2011 - 05:38:07 PDT)
- belal najjar (Thu Aug 04 2011 - 18:24:14 PDT)
- Bill Miller III (Thu Aug 04 2011 - 11:06:45 PDT)
- belal najjar (Wed Aug 03 2011 - 18:16:27 PDT)
- Bill Miller III (Tue Aug 02 2011 - 03:30:19 PDT)
- belal najjar (Mon Aug 01 2011 - 21:25:03 PDT)
[AMBER] question about creating phantom residues
- Jason Swails (Wed Aug 24 2011 - 12:15:12 PDT)
- moitrayee.mbu.iisc.ernet.in (Wed Aug 24 2011 - 11:30:56 PDT)
[AMBER] Question about ptraj hbond schematic
- Kamali Sripathi (Mon Aug 01 2011 - 04:32:41 PDT)
[AMBER] question about the output of H-bond analysis by ptraj
- Ying Yang (Sat Aug 13 2011 - 05:07:37 PDT)
[AMBER] Question about Tutorial 8 section 6: How to convert mdcrd to specific PDB files for clustering analysis with MMTSB?
- Carlos Simmerling (Wed Aug 10 2011 - 04:19:38 PDT)
- Catein Catherine (Wed Aug 10 2011 - 02:32:42 PDT)
[AMBER] Questions about Amber Tutorials - A7 - Replica Exchange Simulations with AMBER 10
- Daniel Sindhikara (Thu Aug 18 2011 - 21:31:34 PDT)
- Catein Catherine (Thu Aug 18 2011 - 19:59:47 PDT)
[AMBER] questions about calculating thermodynamics properties of water model
- case (Fri Aug 12 2011 - 06:35:35 PDT)
- zhouhaibin2008.ok (Wed Aug 10 2011 - 08:05:10 PDT)
[AMBER] Questions regarding Clustering in ptraj.
- Catein Catherine (Tue Aug 09 2011 - 10:30:55 PDT)
[AMBER] Randomize trajectory frames
- Dean Cuebas (Mon Aug 15 2011 - 21:30:33 PDT)
- Daniel Sindhikara (Sun Aug 14 2011 - 00:16:31 PDT)
- Tai Chi For Me (Sat Aug 13 2011 - 17:21:17 PDT)
[AMBER] residue list
- Jason Swails (Fri Aug 12 2011 - 17:30:09 PDT)
- E. Nihal Korkmaz (Fri Aug 12 2011 - 15:47:15 PDT)
[AMBER] residuewise energy decomposition in Amber
- Bill Miller III (Tue Aug 09 2011 - 04:43:08 PDT)
- moitrayee.mbu.iisc.ernet.in (Mon Aug 08 2011 - 23:20:29 PDT)
[AMBER] rst to mdcrd
- Jason Swails (Thu Aug 11 2011 - 06:32:55 PDT)
- waqasuddin.khan.iccs.edu (Thu Aug 11 2011 - 06:16:59 PDT)
- Ross Walker (Wed Aug 10 2011 - 21:52:20 PDT)
- waqasuddin.khan.iccs.edu (Wed Aug 10 2011 - 20:40:01 PDT)
- Ozen, Aysegul (Wed Aug 10 2011 - 19:06:12 PDT)
- Anglea A. (Wed Aug 10 2011 - 17:40:39 PDT)
[AMBER] sander compiled by which compiler can show full error mesage?
- Jason Swails (Tue Aug 30 2011 - 16:30:03 PDT)
- xiaodong huang (Tue Aug 30 2011 - 16:05:37 PDT)
- Ray Luo, Ph.D. (Tue Aug 30 2011 - 15:05:56 PDT)
- xiaodong huang (Tue Aug 30 2011 - 14:17:37 PDT)
[AMBER] simulating a protein-peptide complex
- Carlos Simmerling (Fri Aug 05 2011 - 03:22:02 PDT)
- Xiao Chen (Fri Aug 05 2011 - 02:36:03 PDT)
- Carlos Simmerling (Thu Aug 04 2011 - 04:14:51 PDT)
- steinbrt.rci.rutgers.edu (Thu Aug 04 2011 - 00:51:26 PDT)
- Xiao Chen (Thu Aug 04 2011 - 00:00:12 PDT)
[AMBER] Software announcement: Release of PUPIL 1.4
- Joan Torras (Mon Aug 15 2011 - 11:37:30 PDT)
[AMBER] strategies to terminate and continue a MD run
- Bruno Rodrigues (Thu Aug 18 2011 - 05:13:02 PDT)
- Bill Ross (Wed Aug 17 2011 - 13:15:27 PDT)
- sribone.fcq.unc.edu.ar (Wed Aug 17 2011 - 11:38:10 PDT)
- Yun Shi (Wed Aug 17 2011 - 10:49:54 PDT)
- Jason Swails (Wed Aug 17 2011 - 10:40:00 PDT)
- Yun Shi (Wed Aug 17 2011 - 09:03:41 PDT)
[AMBER] Technical problems with running steered MD
- Sergey Samsonov (Fri Aug 26 2011 - 00:20:31 PDT)
- Jason Swails (Thu Aug 25 2011 - 09:01:54 PDT)
- David A Case (Thu Aug 25 2011 - 08:22:56 PDT)
- Sergey Samsonov (Thu Aug 25 2011 - 07:31:35 PDT)
- David A Case (Thu Aug 25 2011 - 07:21:36 PDT)
- Sergey Samsonov (Thu Aug 25 2011 - 04:34:58 PDT)
[AMBER] test of the mailing list server
- David A Case (Thu Aug 18 2011 - 10:44:05 PDT)
[AMBER] trouble compiling AmberTools 1.5
- Jennifer L. Muzyka (Tue Aug 09 2011 - 12:56:38 PDT)
- Jason Swails (Tue Aug 09 2011 - 11:38:07 PDT)
- Jennifer L. Muzyka (Tue Aug 09 2011 - 11:16:55 PDT)
[AMBER] trying to make parallel Amber on Centos
- Jason Swails (Wed Aug 10 2011 - 20:16:16 PDT)
- Irene Newhouse (Wed Aug 10 2011 - 20:01:42 PDT)
[AMBER] TUTORIAL B3 - SECTION 6
- George Tzotzos (Sat Aug 20 2011 - 04:12:58 PDT)
- Jason Swails (Fri Aug 19 2011 - 15:51:19 PDT)
- George Tzotzos (Fri Aug 19 2011 - 14:19:56 PDT)
- George Tzotzos (Fri Aug 19 2011 - 11:12:33 PDT)
[AMBER] two planes' dihedral angle
- Andrew Jewett (Mon Aug 29 2011 - 20:53:52 PDT)
- caobb0214 (Mon Aug 29 2011 - 19:50:49 PDT)
[AMBER] Undefined symbols when compiling AMBER11 on Mac OSX 10.6
- Daniel Sindhikara (Sun Jul 31 2011 - 22:56:25 PDT)
[AMBER] unspecified launch failure launching kernel kCalculateMolecularVirial
- Ross Walker (Fri Aug 12 2011 - 09:02:24 PDT)
- Sangeetha B (Thu Aug 11 2011 - 21:24:18 PDT)
- Ross Walker (Thu Aug 11 2011 - 17:29:24 PDT)
- arikcohen (Thu Aug 11 2011 - 17:18:07 PDT)
- Ross Walker (Thu Aug 11 2011 - 16:06:36 PDT)
- arikcohen (Thu Aug 11 2011 - 15:53:58 PDT)
- arikcohen (Thu Aug 11 2011 - 15:34:18 PDT)
- Ross Walker (Thu Aug 11 2011 - 15:28:05 PDT)
- arikcohen (Thu Aug 11 2011 - 15:19:25 PDT)
- Ross Walker (Thu Aug 11 2011 - 15:12:55 PDT)
- arikcohen (Thu Aug 11 2011 - 15:04:46 PDT)
- Scott Le Grand (Thu Aug 11 2011 - 15:03:59 PDT)
- arikcohen (Thu Aug 11 2011 - 14:58:14 PDT)
[AMBER] Using iwrap with harmonic restraints
- Jason Swails (Tue Aug 23 2011 - 08:03:20 PDT)
- Ozen, Aysegul (Tue Aug 23 2011 - 07:58:05 PDT)
- Ozen, Aysegul (Tue Aug 23 2011 - 07:38:24 PDT)
- Ross Walker (Mon Aug 22 2011 - 18:30:11 PDT)
- Ozen, Aysegul (Mon Aug 22 2011 - 17:27:31 PDT)
- Ross Walker (Mon Aug 22 2011 - 10:33:07 PDT)
- Ozen, Aysegul (Mon Aug 22 2011 - 08:35:27 PDT)
- Jason Swails (Thu Aug 18 2011 - 17:50:55 PDT)
- Ozen, Aysegul (Thu Aug 18 2011 - 17:44:08 PDT)
[AMBER] Using NMR restraints during minimization
- Kamali Sripathi (Tue Aug 02 2011 - 12:49:57 PDT)
- Kamali Sripathi (Tue Aug 02 2011 - 12:48:14 PDT)
- case (Tue Aug 02 2011 - 05:49:49 PDT)
- Jason Swails (Tue Aug 02 2011 - 04:51:49 PDT)
- Kamali Sripathi (Tue Aug 02 2011 - 04:31:33 PDT)
- Jason Swails (Mon Aug 01 2011 - 20:41:11 PDT)
- Kamali Sripathi (Mon Aug 01 2011 - 14:57:50 PDT)
[AMBER] using sleap to load mol2 files
- Guenegou, Guillaume [ORDFR] (Tue Aug 09 2011 - 07:31:46 PDT)
[AMBER] van der Waals atom parent list
- r smith (Wed Aug 03 2011 - 07:05:56 PDT)
[AMBER] Water residue and atom Numbering on Xleap
- David Case (Thu Aug 04 2011 - 18:56:27 PDT)
- David Cantu (Thu Aug 04 2011 - 15:42:37 PDT)
[AMBER] What is the physical meaning and good parameters for EXTDIEL and INDIEL and SURFTEN and SURFOFF in GBSA calculations?
- case (Thu Aug 11 2011 - 08:46:34 PDT)
- Catein Catherine (Tue Aug 09 2011 - 10:52:00 PDT)
[AMBER] Widom Method with amber
- Bill Ross (Tue Aug 16 2011 - 16:02:54 PDT)
- case (Tue Aug 16 2011 - 13:03:25 PDT)
- Matias Factorovich (Tue Aug 16 2011 - 12:22:35 PDT)
[AMBER] Xleap installation problem
- Mark Williamson (Thu Aug 18 2011 - 01:58:21 PDT)
- kureeckal ramesh (Thu Aug 18 2011 - 00:13:42 PDT)
- Jason Swails (Wed Aug 10 2011 - 15:06:23 PDT)
- kureeckal ramesh (Wed Aug 10 2011 - 05:36:41 PDT)
[AMBER] Xleap problem
- Ross Walker (Mon Aug 22 2011 - 14:43:40 PDT)
- William Wei (Mon Aug 22 2011 - 14:19:24 PDT)
[AMBER] Xmgr download link
- Marc van der Kamp (Sat Aug 13 2011 - 04:27:05 PDT)
- souvik sur (Sat Aug 13 2011 - 03:49:34 PDT)

Amber Archive Aug 2011 by subject