AMBER Archive (2009) - Jan 2009 By Subject

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About this archive

Starting: Thu Jan 01 2009 - 21:33:30 CST
Ending: Sat Jan 31 2009 - 23:08:36 CST

[AMBER] "bad atom type"
- Akansha Saxena (Fri Jan 09 2009 - 11:15:11 CST)
[AMBER] "Could not find bond parameter"
- Ross Walker (Fri Jan 23 2009 - 12:29:46 CST)
- George Tzotzos (Fri Jan 23 2009 - 12:16:34 CST)
[AMBER] (no subject)
- Ross Walker (Thu Jan 22 2009 - 09:46:56 CST)
- Lake, Thomas (Thu Jan 22 2009 - 07:43:59 CST)
- Jenny Iskrenova (Mon Jan 19 2009 - 12:54:39 CST)
- Ross Walker (Sun Jan 18 2009 - 12:07:24 CST)
- Carlos Simmerling (Sun Jan 18 2009 - 07:08:41 CST)
- David A. Case (Sat Jan 17 2009 - 20:48:25 CST)
- Jenny Iskrenova (Fri Jan 16 2009 - 17:20:46 CST)
- David A. Case (Fri Jan 16 2009 - 13:10:33 CST)
- Carlos Simmerling (Fri Jan 16 2009 - 12:46:11 CST)
- Jenny Iskrenova (Fri Jan 16 2009 - 12:42:08 CST)
- Carlos Simmerling (Fri Jan 16 2009 - 11:43:26 CST)
- Lake, Thomas (Fri Jan 16 2009 - 11:38:09 CST)
[AMBER] adding MG2 problem
- balaji nagarajan (Fri Jan 30 2009 - 03:45:58 CST)
[AMBER] Alpha helix plot
- Carlos Simmerling (Fri Jan 30 2009 - 16:11:10 CST)
- Beale, John (Thu Jan 29 2009 - 14:10:11 CST)
[AMBER] Amber 9 installation problem on Ubuntu
- David A. Case (Mon Jan 12 2009 - 06:01:31 CST)
- drugdesign (Mon Jan 12 2009 - 00:26:34 CST)
[AMBER] AMBER efficiency: Intel vs. AMD
- Ross Walker (Mon Jan 19 2009 - 09:39:33 CST)
- Ye MEI (Sun Jan 18 2009 - 20:20:47 CST)
- Swarup Gupta (Sun Jan 18 2009 - 19:43:32 CST)
[AMBER] AMBER External keyword
- Gustavo Seabra (Sat Jan 24 2009 - 20:32:10 CST)
- Mahmoud A. A. Ibrahim (Wed Jan 21 2009 - 09:59:33 CST)
[AMBER] Amber Parameters for Iron Heme covalently boud to carbon monoxide
- Osmar Norberto de Souza (Wed Jan 07 2009 - 12:23:06 CST)
[AMBER] Amber top file to Charmm top file
- sarvin moghaddam (Fri Jan 30 2009 - 08:48:44 CST)
[AMBER] amber9 in fedora10
- Eric (Tue Jan 13 2009 - 12:28:33 CST)
- Bala subramanian (Tue Jan 13 2009 - 12:16:19 CST)
- Ross Walker (Tue Jan 13 2009 - 12:00:33 CST)
- Mark Williamson (Tue Jan 13 2009 - 11:56:31 CST)
- Bala subramanian (Tue Jan 13 2009 - 11:51:49 CST)
[AMBER] AMBER: Problems in solvation with xleap
- vallespardojl_at_chem.leidenuniv.nl (Wed Jan 07 2009 - 07:39:56 CST)
[AMBER] amber@ambermd.org open for business
- Ross Walker (Tue Jan 06 2009 - 17:34:31 CST)
[AMBER] AmberTools 1.2
- David A. Case (Fri Jan 30 2009 - 06:04:41 CST)
- James W. Caldwell (Thu Jan 29 2009 - 18:04:36 CST)
[AMBER] AmberTools and ptraj clustering on Mac OS X
- David Watson (Sat Jan 24 2009 - 15:41:04 CST)
[AMBER] ambpdb is changing atom names, a feature or bug?
- David A. Case (Sat Jan 10 2009 - 10:02:53 CST)
- Ye Mei (Sat Jan 10 2009 - 02:03:10 CST)
- David A. Case (Fri Jan 09 2009 - 12:58:20 CST)
- Bill Ross (Fri Jan 09 2009 - 11:53:23 CST)
- David A. Case (Fri Jan 09 2009 - 07:01:54 CST)
- Markus Kaukonen (Fri Jan 09 2009 - 06:55:41 CST)
[AMBER] analysis
- Adrien Delmont (Tue Jan 20 2009 - 11:03:16 CST)
[AMBER] antechamber : missed atoms
- David A. Case (Tue Jan 27 2009 - 09:23:27 CST)
- Khaled Barakat (Mon Jan 26 2009 - 14:22:14 CST)
- Sean Johnston (Mon Jan 26 2009 - 13:40:59 CST)
- Khaled Barakat (Mon Jan 26 2009 - 13:20:52 CST)
- Khaled Barakat (Mon Jan 26 2009 - 13:15:33 CST)
- Khaled Barakat (Mon Jan 26 2009 - 12:54:07 CST)
[AMBER] antechamber cation failure
- Ross Walker (Wed Jan 14 2009 - 11:45:43 CST)
- Rausch, Felix (Wed Jan 14 2009 - 07:32:04 CST)
[AMBER] Antechamber Connectivity
- David Watson (Mon Jan 26 2009 - 13:59:58 CST)
- George Tzotzos (Mon Jan 26 2009 - 12:23:58 CST)
[AMBER] Antechamber ligand prep
- George Tzotzos (Tue Jan 27 2009 - 10:44:06 CST)
- George Tzotzos (Tue Jan 27 2009 - 09:43:19 CST)
- David Watson (Tue Jan 27 2009 - 09:34:25 CST)
- David A. Case (Tue Jan 27 2009 - 09:33:57 CST)
- George Tzotzos (Tue Jan 27 2009 - 09:24:30 CST)
- David A. Case (Tue Jan 27 2009 - 08:59:47 CST)
- George Tzotzos (Tue Jan 27 2009 - 08:48:11 CST)
[AMBER] atom types
- David A. Case (Tue Jan 27 2009 - 09:13:30 CST)
- deepti nayar (Tue Jan 27 2009 - 03:47:12 CST)
- George Tzotzos (Mon Jan 19 2009 - 12:02:42 CST)
- Ross Walker (Mon Jan 19 2009 - 09:46:10 CST)
- George Tzotzos (Mon Jan 19 2009 - 08:04:09 CST)
[AMBER] Atome Type
- David A. Case (Thu Jan 29 2009 - 07:08:09 CST)
- Mahmoud A. A. Ibrahim (Thu Jan 29 2009 - 04:59:42 CST)
[AMBER] atomic charge
- Barbault Florent (Thu Jan 29 2009 - 02:24:48 CST)
- m m (Thu Jan 29 2009 - 02:08:47 CST)
[AMBER] bad energy??!!
- Ross Walker (Wed Jan 14 2009 - 13:40:24 CST)
- momo momo (Wed Jan 14 2009 - 13:19:20 CST)
[AMBER] Building atom and angle parameters
- George Tzotzos (Tue Jan 27 2009 - 12:24:52 CST)
[AMBER] Can we use AMBER?
- Ross Walker (Thu Jan 08 2009 - 12:47:18 CST)
- Casey,Richard (Thu Jan 08 2009 - 11:25:57 CST)
- Casey,Richard (Thu Jan 08 2009 - 11:16:50 CST)
[AMBER] Can't reproduce RESP charges
- FyD (Tue Jan 13 2009 - 05:52:13 CST)
- Sanghwa Han (Sun Jan 11 2009 - 23:57:15 CST)
[AMBER] charge derivation for ATP molecule using antechamber
- David A. Case (Fri Jan 23 2009 - 10:51:49 CST)
- prachi munjal (Fri Jan 23 2009 - 07:19:27 CST)
[AMBER] charges in topology file
- Carlos Simmerling (Wed Jan 14 2009 - 05:24:52 CST)
- vallespardojl_at_chem.leidenuniv.nl (Wed Jan 14 2009 - 04:33:35 CST)
[AMBER] Citing AMBER Tools...
- Aydin, Cihan (Sat Jan 31 2009 - 23:08:36 CST)
[AMBER] Compilation and usage of NAB in parallel ?
- Marek Malý (Fri Jan 30 2009 - 10:01:06 CST)
- David A. Case (Fri Jan 30 2009 - 09:51:31 CST)
- Marek Malý (Fri Jan 30 2009 - 08:59:07 CST)
- David A. Case (Thu Jan 29 2009 - 07:22:08 CST)
- Marek Malý (Wed Jan 28 2009 - 16:25:24 CST)
[AMBER] crystal waters
- steinbrt_at_rci.rutgers.edu (Mon Jan 12 2009 - 14:37:34 CST)
- Carmen Domene (Mon Jan 12 2009 - 14:32:28 CST)
- steinbrt_at_rci.rutgers.edu (Mon Jan 12 2009 - 14:16:25 CST)
- Carmen Domene (Mon Jan 12 2009 - 14:04:24 CST)
[AMBER] deduce correlation from covariance matrix
- Yi Mao (Sun Jan 25 2009 - 15:01:05 CST)
[AMBER] Dipole command in ptraj
- musa özboyacý (Wed Jan 14 2009 - 17:15:26 CST)
- musa özboyacý (Wed Jan 14 2009 - 09:41:07 CST)
[AMBER] distance restraint and SHAKE
- Thomas Cheatham III (Tue Jan 27 2009 - 12:16:30 CST)
- Michael J Yonkunas (Tue Jan 27 2009 - 11:39:56 CST)
[AMBER] Divcon or Mopac
- Martin Peters (Wed Jan 14 2009 - 03:01:12 CST)
- Cen Gao (Tue Jan 13 2009 - 17:54:33 CST)
[AMBER] Dr. Ramesh here
- David A. Case (Fri Jan 30 2009 - 10:08:43 CST)
- kureeckal ramesh (Thu Jan 29 2009 - 21:18:33 CST)
- kureeckal ramesh (Thu Jan 29 2009 - 19:41:17 CST)
- rpaduri_at_chem.wayne.edu (Thu Jan 29 2009 - 11:22:20 CST)
- kureeckal ramesh (Thu Jan 29 2009 - 04:41:10 CST)
[AMBER] Duplicate residues
- Bill Ross (Mon Jan 19 2009 - 13:20:01 CST)
- David A. Case (Mon Jan 19 2009 - 07:16:28 CST)
- George Tzotzos (Mon Jan 19 2009 - 06:54:37 CST)
[AMBER] error in sander (Amber10)
- archana sonawani (Tue Jan 13 2009 - 02:21:09 CST)
[AMBER] Error in xleap
- Ross Walker (Thu Jan 15 2009 - 10:01:20 CST)
- archana sonawani (Thu Jan 15 2009 - 01:39:16 CST)
[AMBER] error on open distatance restraint
- xiaonan zhang (Sat Jan 24 2009 - 21:56:02 CST)
- David A. Case (Fri Jan 23 2009 - 21:18:17 CST)
- gmail (Fri Jan 23 2009 - 20:58:27 CST)
[AMBER] errorin sander---Amber10
- David A. Case (Tue Jan 13 2009 - 07:22:36 CST)
- archana sonawani (Tue Jan 13 2009 - 03:27:43 CST)
[AMBER] errors on REMD
- Carlos Simmerling (Mon Jan 26 2009 - 11:38:39 CST)
- z g (Thu Jan 22 2009 - 19:02:08 CST)
- Carlos Simmerling (Tue Jan 20 2009 - 08:29:07 CST)
- z g (Tue Jan 20 2009 - 07:39:12 CST)
- Carlos Simmerling (Tue Jan 20 2009 - 05:02:06 CST)
- z g (Mon Jan 19 2009 - 20:41:35 CST)
[AMBER] failure to run antechamber with amber 10
- Francesco Pietra (Fri Jan 30 2009 - 02:04:33 CST)
- George Tzotzos (Thu Jan 29 2009 - 16:48:50 CST)
- David A. Case (Thu Jan 29 2009 - 16:45:53 CST)
- Francesco Pietra (Thu Jan 29 2009 - 16:29:18 CST)
[AMBER] force-field for cyclic oligosaccharide using leap
- Madhurima Jana (Sun Jan 11 2009 - 22:21:23 CST)
- Madhurima Jana (Thu Jan 08 2009 - 22:50:18 CST)
[AMBER] four prepin/frcmod files be read simultaneously by leap
- David A. Case (Wed Jan 07 2009 - 12:39:56 CST)
- Yi Mao (Wed Jan 07 2009 - 10:38:52 CST)
- rpaduri_at_chem.wayne.edu (Wed Jan 07 2009 - 10:05:09 CST)
- Yi Mao (Wed Jan 07 2009 - 08:46:05 CST)
[AMBER] GAFF conjugated ring system dihedrals
- David A. Case (Thu Jan 29 2009 - 12:37:24 CST)
- Floris Buelens (Wed Jan 28 2009 - 06:04:55 CST)
[AMBER] generating top file using antechmaber
- Wei Zhang (Thu Jan 29 2009 - 10:26:22 CST)
- sarvin moghaddam (Thu Jan 29 2009 - 09:24:50 CST)
- David A. Case (Thu Jan 29 2009 - 06:51:56 CST)
- sarvin moghaddam (Wed Jan 28 2009 - 14:33:00 CST)
- Wei Zhang (Wed Jan 28 2009 - 14:23:21 CST)
- Wei Zhang (Wed Jan 28 2009 - 14:12:20 CST)
- sarvin moghaddam (Wed Jan 28 2009 - 13:49:20 CST)
[AMBER] Heat and Equilibrate Hybrid GB solvent?
- Carlos Simmerling (Fri Jan 16 2009 - 15:21:27 CST)
- Jason A. Ford-Green (Fri Jan 16 2009 - 15:14:41 CST)
[AMBER] help
- Ross Walker (Fri Jan 30 2009 - 07:42:33 CST)
- momo momo (Fri Jan 30 2009 - 06:35:22 CST)
[AMBER] how many processors for parallel test
- michael bane (Thu Jan 08 2009 - 07:56:59 CST)
- David A. Case (Thu Jan 08 2009 - 07:44:52 CST)
- michael bane (Thu Jan 08 2009 - 07:31:31 CST)
- David A. Case (Thu Jan 08 2009 - 06:08:06 CST)
- michael (Thu Jan 08 2009 - 05:01:41 CST)
[AMBER] How to calculate cavity volume from MD structures?
- Jason A. Ford-Green (Wed Jan 21 2009 - 09:39:57 CST)
- ben rodriguez (Tue Jan 20 2009 - 16:21:43 CST)
[AMBER] how to set up "Two molecules tied with an Elastic band of 20A in implicit solvent"
- Carlos Simmerling (Tue Jan 20 2009 - 08:33:55 CST)
- Jagadeesh, M.N., Ph.D. (Mon Jan 19 2009 - 03:03:39 CST)
[AMBER] how to use those water models off the list in amber?
- GZ Zhang (Thu Jan 22 2009 - 14:47:02 CST)
- David A. Case (Thu Jan 22 2009 - 07:29:41 CST)
- Lauren Wickstrom (Wed Jan 21 2009 - 17:58:22 CST)
- GZ Zhang (Wed Jan 21 2009 - 15:39:50 CST)
[AMBER] implicit and explicit simulation: salt effect
- David A. Case (Sat Jan 10 2009 - 10:26:45 CST)
- David A. Case (Sat Jan 10 2009 - 10:23:08 CST)
- David LeBard (Fri Jan 09 2009 - 22:23:24 CST)
- David Watson (Fri Jan 09 2009 - 21:49:48 CST)
- Catein Catherine (Fri Jan 09 2009 - 21:03:35 CST)
[AMBER] Installation error - Amber10
- David A. Case (Thu Jan 29 2009 - 12:33:33 CST)
- Andreas Svrcek-Seiler (Thu Jan 29 2009 - 05:52:44 CST)
- Ananda Rama Krishnan Selvaraj (Thu Jan 29 2009 - 05:47:44 CST)
[AMBER] large resp charges for non-natural amino acid
- Arturas Ziemys (Sat Jan 31 2009 - 11:03:44 CST)
- Arturas Ziemys (Sat Jan 31 2009 - 11:03:09 CST)
- FyD (Thu Jan 29 2009 - 15:58:34 CST)
- Arturas Ziemys (Thu Jan 29 2009 - 15:38:12 CST)
- FyD (Thu Jan 29 2009 - 14:57:51 CST)
- Arturas Ziemys (Thu Jan 29 2009 - 09:10:50 CST)
- FyD (Wed Jan 28 2009 - 22:04:11 CST)
- Arturas Ziemys (Tue Jan 27 2009 - 16:40:49 CST)
[AMBER] Ligand Diffusion Studies?
- Jason A. Ford-Green (Thu Jan 15 2009 - 11:42:03 CST)
[AMBER] lone pairs on CYX and MET
- Ross Walker (Thu Jan 08 2009 - 12:17:52 CST)
- Beale, John (Thu Jan 08 2009 - 12:08:42 CST)
[AMBER] mairun
- wl2290_at_columbia.edu (Thu Jan 08 2009 - 17:11:56 CST)
- Ross Walker (Thu Jan 08 2009 - 16:51:49 CST)
- wl2290_at_columbia.edu (Thu Jan 08 2009 - 16:33:52 CST)
- Ross Walker (Thu Jan 08 2009 - 12:25:26 CST)
- wl2290_at_columbia.edu (Thu Jan 08 2009 - 11:30:05 CST)
[AMBER] MD
- Ross Walker (Wed Jan 07 2009 - 18:33:46 CST)
- Beale, John (Wed Jan 07 2009 - 08:40:07 CST)
[AMBER] MD vs scattering
- Chih-Ying Lin (Tue Jan 20 2009 - 15:26:49 CST)
- Ross Walker (Tue Jan 20 2009 - 15:18:26 CST)
- Chih-Ying Lin (Tue Jan 20 2009 - 15:10:47 CST)
[AMBER] MM - PBSA problem
- musa özboyacý (Mon Jan 26 2009 - 10:32:40 CST)
- Cenk \(Jenk\) Andac (Mon Jan 26 2009 - 10:20:25 CST)
- musa özboyacý (Mon Jan 26 2009 - 06:43:33 CST)
- Cenk \(Jenk\) Andac (Mon Jan 26 2009 - 06:14:52 CST)
- musa özboyacý (Mon Jan 26 2009 - 05:15:13 CST)
- Cenk \(Jenk\) Andac (Sun Jan 25 2009 - 14:38:16 CST)
- David A. Case (Sun Jan 25 2009 - 08:26:07 CST)
- David A. Case (Sun Jan 25 2009 - 08:21:33 CST)
- musa özboyacý (Sun Jan 25 2009 - 07:12:05 CST)
- Cenk \(Jenk\) Andac (Fri Jan 23 2009 - 08:34:46 CST)
- musa özboyacý (Fri Jan 23 2009 - 07:14:05 CST)
- Niel Henriksen (Thu Jan 22 2009 - 18:52:09 CST)
- Cenk \(Jenk\) Andac (Thu Jan 22 2009 - 16:00:13 CST)
- musa özboyacý (Thu Jan 22 2009 - 13:52:10 CST)
- Ray Luo (Thu Jan 22 2009 - 11:31:53 CST)
- musa özboyacý (Thu Jan 22 2009 - 11:06:54 CST)
[AMBER] mm-GBSA from implicit
- Carlos Simmerling (Sat Jan 10 2009 - 07:25:10 CST)
- Catein Catherine (Fri Jan 09 2009 - 21:13:28 CST)
[AMBER] molecular mechanic minimisation with amber
- Ross Walker (Wed Jan 14 2009 - 11:56:23 CST)
- momo momo (Wed Jan 14 2009 - 08:58:47 CST)
[AMBER] mpirun
- Ross Walker (Thu Jan 08 2009 - 17:28:12 CST)
[AMBER] multisander error
- Justine Condo (Mon Jan 12 2009 - 17:01:41 CST)
- Ross Walker (Mon Jan 12 2009 - 16:51:48 CST)
- Justine Condo (Mon Jan 12 2009 - 16:39:44 CST)
- Justine Condo (Mon Jan 12 2009 - 16:32:31 CST)
- Ross Walker (Mon Jan 12 2009 - 16:20:06 CST)
- David Watson (Mon Jan 12 2009 - 16:15:26 CST)
- Justine Condo (Mon Jan 12 2009 - 16:03:37 CST)
[AMBER] nab conjgrad min problem
- Jeremy Harris (Mon Jan 19 2009 - 09:00:30 CST)
- David A. Case (Fri Jan 16 2009 - 09:33:01 CST)
- Jeremy Harris (Fri Jan 16 2009 - 09:11:12 CST)
[AMBER] NAB entropy calcualtion
- David A. Case (Fri Jan 09 2009 - 07:13:32 CST)
- Andreas Svrcek-Seiler (Fri Jan 09 2009 - 03:28:48 CST)
- chaitanya koppisetty (Fri Jan 09 2009 - 03:01:13 CST)
[AMBER] Need help with point to plane distance calculation in nab
- M. L. Dodson (Thu Jan 08 2009 - 13:54:15 CST)
- IN SUK JOUNG (Thu Jan 08 2009 - 13:41:09 CST)
- M. L. Dodson (Thu Jan 08 2009 - 13:16:51 CST)
- IN SUK JOUNG (Thu Jan 08 2009 - 13:00:20 CST)
- M. L. Dodson (Thu Jan 08 2009 - 12:39:16 CST)
[AMBER] non-natural amino acids
- FyD (Thu Jan 22 2009 - 17:25:31 CST)
- Arturas Ziemys (Thu Jan 22 2009 - 11:32:11 CST)
[AMBER] Non-planarity of amide atoms after optimization
- Sanghwa Han (Wed Jan 07 2009 - 21:17:18 CST)
[AMBER] NOTICE: File size limits on AMBER reflector
- Ross Walker (Tue Jan 27 2009 - 10:35:50 CST)
[AMBER] NPT md with PME method for a water box
- Ross Walker (Wed Jan 14 2009 - 12:07:13 CST)
- Jeffrey (Wed Jan 14 2009 - 08:41:24 CST)
[AMBER] number-of-EPS-exceeds-MAXESP
- Karol Kaszuba (Sat Jan 17 2009 - 04:41:22 CST)
- Karol Kaszuba (Mon Jan 12 2009 - 01:57:50 CST)
- FyD (Mon Jan 12 2009 - 01:43:48 CST)
- Karol Kaszuba (Sun Jan 11 2009 - 02:01:07 CST)
- FyD (Sun Jan 11 2009 - 01:00:40 CST)
- Karol Kaszuba (Sat Jan 10 2009 - 09:27:08 CST)
- FyD (Sat Jan 10 2009 - 02:26:13 CST)
- Karol Kaszuba (Fri Jan 09 2009 - 15:07:13 CST)
[AMBER] Off topic. Hardware problem
- Francesco Pietra (Sat Jan 10 2009 - 02:26:55 CST)
[AMBER] Parallelepiped periodic box
- David A. Case (Fri Jan 16 2009 - 13:50:32 CST)
- Ian Streeter (Mon Jan 12 2009 - 09:57:55 CST)
[AMBER] PBSA: PB bomb in pb_setgrd()
- Ray Luo (Wed Jan 07 2009 - 12:24:15 CST)
- Larry Layne (Wed Jan 07 2009 - 09:33:57 CST)
[AMBER] PhD position in Computational Structural Biology at Cambridge, UK
- Swanand Gore (Wed Jan 28 2009 - 04:31:16 CST)
[AMBER] PHOSPHOTHREONINE
- David A. Case (Wed Jan 07 2009 - 13:29:35 CST)
- Khaled Barakat (Wed Jan 07 2009 - 13:11:43 CST)
[AMBER] pmemd | Compilation problem with ifort and mvapich environment
- Ross Walker (Wed Jan 14 2009 - 11:53:20 CST)
- fohm fohm (Wed Jan 14 2009 - 11:23:50 CST)
[AMBER] Postdoc Position Available at SDSC/UCSD
- Ross Walker (Wed Jan 14 2009 - 14:35:52 CST)
[AMBER] principal component vector onto C-alpha
- S.Sundar Raman (Tue Jan 13 2009 - 16:46:20 CST)
- Carra, Claudio (JSC-SK)[USRA] (Tue Jan 13 2009 - 14:52:31 CST)
[AMBER] problem building AmberTools/sleap on AIX
- Shan-ho Tsai (Wed Jan 21 2009 - 15:53:00 CST)
- Wei Zhang (Fri Jan 16 2009 - 15:19:42 CST)
- Shan-ho Tsai (Fri Jan 16 2009 - 14:58:53 CST)
- Shan-ho Tsai (Mon Jan 12 2009 - 09:31:51 CST)
- Wei Zhang (Fri Jan 09 2009 - 16:28:08 CST)
- Shan-ho Tsai (Fri Jan 09 2009 - 15:49:17 CST)
- Bill Ross (Fri Jan 09 2009 - 11:45:55 CST)
- Shan-ho Tsai (Fri Jan 09 2009 - 10:46:59 CST)
- Wei Zhang (Fri Jan 09 2009 - 10:37:43 CST)
- Shan-ho Tsai (Fri Jan 09 2009 - 10:27:56 CST)
[AMBER] Problem in pb simulation, PB_Bomb
- Waqas Nasir (Thu Jan 29 2009 - 03:08:22 CST)
[AMBER] Problem in watercap simulation, PB_Bomb
- Ray Luo (Thu Jan 29 2009 - 11:45:33 CST)
- Waqas Nasir (Thu Jan 29 2009 - 08:21:20 CST)
[AMBER] Problem with entropy calculation of bigger system using NMODE and NAB.
- David A. Case (Sat Jan 24 2009 - 08:37:31 CST)
- Marek Malý (Wed Jan 21 2009 - 16:48:58 CST)
- David A. Case (Wed Jan 21 2009 - 08:52:33 CST)
- Marek Malý (Tue Jan 20 2009 - 20:48:03 CST)
- David A. Case (Tue Jan 20 2009 - 14:53:48 CST)
- Niel Henriksen (Tue Jan 20 2009 - 14:49:38 CST)
- Marek Malý (Tue Jan 20 2009 - 12:24:55 CST)
[AMBER] prot-DNA simulation
- Thomas Cheatham III (Wed Jan 21 2009 - 15:55:52 CST)
- deepti nayar (Wed Jan 21 2009 - 05:16:09 CST)
[AMBER] ptraj, CHARMM PSF and CMAP
- Ross Walker (Wed Jan 14 2009 - 10:46:17 CST)
- Hannes Loeffler (Wed Jan 14 2009 - 03:45:07 CST)
[AMBER] PTRAJ: solvent accessible surface area
- Carlos Simmerling (Wed Jan 14 2009 - 09:00:59 CST)
- steinbrt_at_rci.rutgers.edu (Wed Jan 14 2009 - 08:59:19 CST)
- Catein Catherine (Wed Jan 14 2009 - 01:32:15 CST)
[AMBER] Question on heating for homology based model.
- drugdesign (Sat Jan 31 2009 - 12:43:06 CST)
[AMBER] reaction coordinates
- Catein Catherine (Wed Jan 14 2009 - 23:25:31 CST)
- David A. Case (Wed Jan 14 2009 - 07:00:59 CST)
- Rausch, Felix (Wed Jan 14 2009 - 05:54:57 CST)
[AMBER] reg . parallel run
- Ross Walker (Thu Jan 22 2009 - 09:52:55 CST)
- balaji nagarajan (Wed Jan 21 2009 - 23:34:03 CST)
[AMBER] reg.error in parallel run
- Ross Walker (Fri Jan 23 2009 - 09:52:20 CST)
- balaji nagarajan (Fri Jan 23 2009 - 04:05:21 CST)
[AMBER] reg.parallel run error
- Ross Walker (Thu Jan 22 2009 - 14:06:33 CST)
- balaji nagarajan (Thu Jan 22 2009 - 12:41:25 CST)
[AMBER] reg.parallel.run error
- Ross Walker (Sat Jan 24 2009 - 00:05:50 CST)
- balaji nagarajan (Fri Jan 23 2009 - 19:59:21 CST)
[AMBER] reg.parallel.run.error
- balaji nagarajan (Sat Jan 24 2009 - 09:09:49 CST)
[AMBER] reg.Targeted molecular dynamics
- Carlos Simmerling (Wed Jan 28 2009 - 12:01:43 CST)
- balaji nagarajan (Tue Jan 27 2009 - 07:57:01 CST)
- balaji nagarajan (Tue Jan 27 2009 - 07:56:54 CST)
[AMBER] reg: targeted molecular dynamics
- Carlos Simmerling (Tue Jan 27 2009 - 07:04:57 CST)
- balaji nagarajan (Tue Jan 27 2009 - 07:02:03 CST)
[AMBER] Release of the R.E.D.-III.1 tools
- FyD (Mon Jan 12 2009 - 05:59:14 CST)
[AMBER] REM_hybrid test fails on AIX
- Shan-ho Tsai (Thu Jan 22 2009 - 14:28:04 CST)
[AMBER] REMD fixed atoms
- Maxime Louet (Fri Jan 30 2009 - 11:26:08 CST)
[AMBER] RESP charges for Fe in heme
- Carina Backtorp (Mon Jan 19 2009 - 07:48:11 CST)
[AMBER] restraining atoms
- Carlos Simmerling (Thu Jan 22 2009 - 08:55:35 CST)
- neville forlemu (Thu Jan 22 2009 - 08:53:48 CST)
[AMBER] restraint of REMD
- Carlos Simmerling (Fri Jan 16 2009 - 05:57:29 CST)
- z g (Thu Jan 15 2009 - 20:51:46 CST)
[AMBER] Rosetta Academic Training Workshop
- Nir London (Tue Jan 27 2009 - 07:07:24 CST)
[AMBER] sander not working
- Carlos Simmerling (Fri Jan 16 2009 - 09:01:34 CST)
- David A. Case (Fri Jan 16 2009 - 08:58:50 CST)
- archana sonawani (Thu Jan 15 2009 - 23:52:48 CST)
[AMBER] solvent mixture
- Gustavo Seabra (Sat Jan 24 2009 - 20:44:31 CST)
- iccy liu (Tue Jan 20 2009 - 16:08:34 CST)
[AMBER] TEST Message - please ignore.
- Ross Walker (Tue Jan 06 2009 - 19:00:39 CST)
[AMBER] Test run on Solaris 10 X 86
- David A. Case (Sat Jan 31 2009 - 20:49:22 CST)
- Manikandan Chandrasekaran (Sat Jan 31 2009 - 12:39:14 CST)
[AMBER] thermo, entropy by quasiharmonic method
- David A. Case (Fri Jan 30 2009 - 17:40:38 CST)
- Carra, Claudio (JSC-SK)[USRA] (Fri Jan 30 2009 - 15:35:37 CST)
[AMBER] thioglycoside
- Lachele Foley (Lists) (Mon Jan 26 2009 - 09:36:26 CST)
- FyD (Mon Jan 26 2009 - 09:07:37 CST)
- Alexander Schierholt (Mon Jan 26 2009 - 08:46:28 CST)
[AMBER] to remove AMBER list
- Ross Walker (Sat Jan 17 2009 - 15:32:19 CST)
- Furia Gargano (Sat Jan 17 2009 - 12:02:26 CST)
[AMBER] To stop the AMBER's list
- Furia Gargano (Sat Jan 17 2009 - 11:59:48 CST)
[AMBER] topology file for GLY with amino and carboxyl group?
- FyD (Tue Jan 27 2009 - 14:02:14 CST)
- Jose Borreguero (Tue Jan 27 2009 - 12:57:45 CST)
[AMBER] Use of Amber in distributed calculations
- M. L. Dodson (Sat Jan 17 2009 - 08:01:36 CST)
- M. L. Dodson (Sat Jan 17 2009 - 07:48:42 CST)
- drugdesign (Sat Jan 17 2009 - 01:33:55 CST)
[AMBER] Using a restart file
- Ross Walker (Thu Jan 15 2009 - 10:52:44 CST)
- Carlos Simmerling (Thu Jan 15 2009 - 10:45:27 CST)
- Simone Swift (Thu Jan 15 2009 - 10:40:38 CST)
[AMBER] using binary trajectories from NAMD in PTRAJ
- karthik s (Tue Jan 27 2009 - 00:49:13 CST)
- Wei Huang (Mon Jan 26 2009 - 08:41:22 CST)
- karthik s (Mon Jan 26 2009 - 01:11:29 CST)
[AMBER] Using GAFF with a covalently bound ligand or label
- FyD (Fri Jan 16 2009 - 03:13:43 CST)
- Markus Kaukonen (Fri Jan 16 2009 - 00:31:53 CST)
- David A. Case (Wed Jan 07 2009 - 20:42:27 CST)
- Sale, Kenneth L (Wed Jan 07 2009 - 19:30:10 CST)
[AMBER] Very weird topology problem
- Peter Gannett (Sat Jan 24 2009 - 17:17:26 CST)
- ranqi zhu (Sat Jan 24 2009 - 15:14:24 CST)
[AMBER] Watercap... some querries
- Robert Duke (Wed Jan 28 2009 - 12:46:02 CST)
- Waqas Nasir (Wed Jan 28 2009 - 09:10:48 CST)
- David A. Case (Wed Jan 28 2009 - 09:01:46 CST)
- Waqas Nasir (Wed Jan 28 2009 - 08:54:00 CST)
[AMBER] Writing out trajectory in NAB
- David A. Case (Mon Jan 12 2009 - 11:22:58 CST)
- xxxzzzyyy xxxzzzyyy (Mon Jan 12 2009 - 10:43:33 CST)
[AMBER] Xleap - solvatebox - counterions
- amirhossein taghavi (Sat Jan 31 2009 - 11:34:10 CST)
- Bill Ross (Fri Jan 30 2009 - 12:40:07 CST)
- David A. Case (Fri Jan 30 2009 - 10:04:23 CST)
- Arnaud (Fri Jan 30 2009 - 04:44:58 CST)
[AMBER] xleap problem
- David A. Case (Sun Jan 25 2009 - 17:30:47 CST)
- oguz gurbulak (Sun Jan 25 2009 - 05:49:28 CST)
- oguz gurbulak (Sun Jan 25 2009 - 10:34:39 CST)
- oguz gurbulak (Sun Jan 25 2009 - 10:27:48 CST)
- oguz gurbulak (Sun Jan 25 2009 - 10:02:50 CST)
- David A. Case (Sun Jan 25 2009 - 07:57:41 CST)
- oguz gurbulak (Sun Jan 25 2009 - 05:56:12 CST)
[AMBER] xmgrace and plotting time evolution of a defined variable
- Mark Williamson (Wed Jan 14 2009 - 18:38:17 CST)
- Naser Alijabbari (Wed Jan 14 2009 - 18:20:31 CST)
amber force filed for RNA
- Ross Walker (Wed Jan 07 2009 - 10:49:41 CST)
AMBER: a question about ff03ua
- FyD (Fri Jan 02 2009 - 14:20:37 CST)
- David A. Case (Fri Jan 02 2009 - 10:35:15 CST)
- oguz gurbulak (Fri Jan 02 2009 - 09:30:46 CST)
AMBER: apparent error in closest function in ptraj 10
- Roman Osman (Fri Jan 02 2009 - 11:37:09 CST)
- D.J. Cole (Fri Jan 02 2009 - 10:06:01 CST)
- Roman Osman (Fri Jan 02 2009 - 09:54:48 CST)
AMBER: bug of the mm_pbsa module in ambertools 1.2
- Scott Brozell (Tue Jan 06 2009 - 12:59:15 CST)
- Ye Mei (Mon Jan 05 2009 - 09:28:02 CST)
AMBER: CHCl3 solvent box
- WJ Ding (Mon Jan 05 2009 - 15:21:32 CST)
- David A. Case (Mon Jan 05 2009 - 07:48:44 CST)
- WJ Ding (Sun Jan 04 2009 - 16:24:48 CST)
AMBER: Dielectric constant
- musa özboyacý (Sat Jan 03 2009 - 12:54:06 CST)
AMBER: energy jumps during molecule minimization
- David A. Case (Fri Jan 02 2009 - 06:48:23 CST)
- Paul Ledbetter (Thu Jan 01 2009 - 21:33:30 CST)
AMBER: error in amber 10
- David A. Case (Tue Jan 06 2009 - 06:28:54 CST)
- David A. Case (Tue Jan 06 2009 - 06:18:23 CST)
- archana sonawani (Tue Jan 06 2009 - 01:19:03 CST)
AMBER: IMPORTANT Information regarding AMBER Mailing List - please read.
- Ross Walker (Tue Jan 06 2009 - 14:40:00 CST)
AMBER: IMPORTANT INFORMATION: Notice regarding transition of AMBER mailing list to new address.
- Ross Walker (Sat Jan 03 2009 - 16:12:19 CST)
AMBER: install amber 10 on linux with openSUSE 10.2 (x86-64)
- Scott Brozell (Tue Jan 06 2009 - 13:23:29 CST)
AMBER: install amber10
- Scott Brozell (Tue Jan 06 2009 - 13:33:21 CST)
- wl2290_at_columbia.edu (Tue Jan 06 2009 - 11:23:01 CST)
AMBER: ligand parameter
- Yu Chen (Sun Jan 11 2009 - 19:25:41 CST)
- Bo Baker (Sun Jan 11 2009 - 18:52:19 CST)
- David Watson (Sun Jan 11 2009 - 18:39:02 CST)
- Bo Baker (Sun Jan 11 2009 - 18:20:08 CST)
- Ross Walker (Wed Jan 07 2009 - 22:10:20 CST)
- Bo Baker (Wed Jan 07 2009 - 20:18:02 CST)
- David A. Case (Wed Jan 07 2009 - 07:08:27 CST)
- Bo Baker (Tue Jan 06 2009 - 23:05:00 CST)
- Ross Walker (Tue Jan 06 2009 - 22:25:20 CST)
- Bo Baker (Tue Jan 06 2009 - 21:59:19 CST)
- Ross Walker (Mon Jan 05 2009 - 23:48:13 CST)
- Bo Baker (Mon Jan 05 2009 - 16:05:18 CST)
AMBER: mail list
- M. L. Dodson (Wed Jan 07 2009 - 10:04:02 CST)
- James W. Caldwell (Tue Jan 06 2009 - 19:24:12 CST)
- Ross Walker (Tue Jan 06 2009 - 17:47:08 CST)
- Mark M Huntress (Tue Jan 06 2009 - 17:06:57 CST)
AMBER: problem with ptraj image command in Amber 10?
- Carlos Simmerling (Tue Jan 06 2009 - 11:37:51 CST)
- Ryan Pavlovicz (Tue Jan 06 2009 - 11:28:27 CST)
AMBER: questions about equilibram
- wei zhang (Tue Jan 13 2009 - 06:58:51 CST)
- David A. Case (Wed Jan 07 2009 - 06:54:10 CST)
- wei zhang (Tue Jan 06 2009 - 05:18:47 CST)
AMBER: reg sander crashing on more than 32 cores over IB
- David A. Case (Mon Jan 05 2009 - 06:47:01 CST)
- Amit Bajaj (Mon Jan 05 2009 - 00:33:15 CST)
AMBER: REMINDER: The amber@scripps.edu mailing list is now CLOSED
- Ross Walker (Tue Jan 06 2009 - 17:40:50 CST)
AMBER: RMS plot
- Carlos Simmerling (Tue Jan 06 2009 - 13:57:50 CST)
- Duggan, Brendan M. (Tue Jan 06 2009 - 13:54:04 CST)
- Carlos Simmerling (Fri Jan 02 2009 - 08:08:44 CST)
AMBER: SMD-related questions
- Gustavo Seabra (Fri Jan 02 2009 - 07:21:53 CST)
AMBER: xleap problem
- Bala subramanian (Wed Jan 07 2009 - 08:54:44 CST)
- David A. Case (Wed Jan 07 2009 - 07:43:16 CST)
- Bala subramanian (Wed Jan 07 2009 - 07:34:43 CST)
- David A. Case (Wed Jan 07 2009 - 07:06:19 CST)
- Bala subramanian (Wed Jan 07 2009 - 04:53:24 CST)
- Ross Walker (Tue Jan 06 2009 - 21:58:26 CST)
- Bala subramanian (Tue Jan 06 2009 - 13:43:00 CST)
- Carlos Simmerling (Tue Jan 06 2009 - 13:05:31 CST)
- Bala subramanian (Tue Jan 06 2009 - 12:57:53 CST)
errors on remd
- Ross Walker (Fri Jan 23 2009 - 10:38:06 CST)
nmode error: bad nonbon (amber 10)
- David A. Case (Wed Jan 14 2009 - 07:13:18 CST)
- Jeremy Harris (Tue Jan 13 2009 - 15:58:36 CST)
- David A. Case (Tue Jan 06 2009 - 08:32:48 CST)
- Jeremy Harris (Tue Jan 06 2009 - 07:37:21 CST)
same result
- zgong.hust (Thu Jan 08 2009 - 02:49:29 CST)
- Ross Walker (Wed Jan 07 2009 - 10:59:39 CST)
Tutorial 5
- Ross Walker (Fri Jan 30 2009 - 19:32:03 CST)
- George Tzotzos (Fri Jan 16 2009 - 14:31:11 CST)
- Ross Walker (Fri Jan 16 2009 - 11:10:51 CST)
xleap problem
- M. L. Dodson (Thu Jan 29 2009 - 10:22:22 CST)
- oguz gurbulak (Thu Jan 29 2009 - 09:53:30 CST)
- David A. Case (Tue Jan 27 2009 - 09:18:53 CST)
- oguz gurbulak (Mon Jan 26 2009 - 15:40:22 CST)
- M. L. Dodson (Mon Jan 26 2009 - 14:47:26 CST)
- oguz gurbulak (Mon Jan 26 2009 - 13:48:11 CST)
- oguz gurbulak (Sun Jan 25 2009 - 10:08:26 CST)

Last message date: Mon Nov 23 2009 - 11:49:36 CST
Archived on: Mon Nov 23 2009 - 11:49:38 CST

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