AMBER Archive (2004) - Sep 2004 By Subject

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About this archive

Starting: Wed Sep 01 2004 - 01:29:27 CDT
Ending: Thu Sep 30 2004 - 15:28:35 CDT

Amber
- bybaker_at_itsa.ucsf.edu (Tue Sep 28 2004 - 16:35:01 CDT)
AMBER:
- Ray Luo (Tue Sep 28 2004 - 13:30:10 CDT)
- Ahammadunny Pathiaseril (Tue Sep 28 2004 - 13:05:44 CDT)
- Abd Ghani Bin Abd Aziz (Sat Sep 25 2004 - 05:16:39 CDT)
- Ross Walker (Thu Sep 23 2004 - 12:36:45 CDT)
- Jiten (Thu Sep 23 2004 - 03:44:49 CDT)
AMBER: (no subject)
- Anselm Horn (Wed Sep 29 2004 - 10:00:43 CDT)
- David A. Case (Wed Sep 29 2004 - 10:39:43 CDT)
- M. L. Dodson (Wed Sep 29 2004 - 10:39:12 CDT)
- Jiten (Wed Sep 29 2004 - 10:23:55 CDT)
- Rasha Radwan (Wed Sep 29 2004 - 09:24:25 CDT)
AMBER: [0] MPI Abort by user Aborting program !
- Melinda Layten (Wed Sep 01 2004 - 10:04:15 CDT)
- tang kwa (Wed Sep 01 2004 - 07:07:51 CDT)
AMBER: A tool for building coordinates of huge macromolecules
- Joachim Reichelt (Wed Sep 15 2004 - 11:37:05 CDT)
- Hwankyu Lee (Wed Sep 15 2004 - 11:28:19 CDT)
AMBER: About binding energy
- Oliver Hucke (Sat Sep 18 2004 - 23:53:36 CDT)
- Xiao He (Sat Sep 18 2004 - 10:08:54 CDT)
AMBER: about MM-PBSA
- Xiao He (Tue Sep 21 2004 - 22:44:51 CDT)
- Ray Luo (Mon Sep 20 2004 - 21:26:52 CDT)
- Xiao He (Tue Sep 21 2004 - 02:49:24 CDT)
- S. Frank Yan (Tue Sep 21 2004 - 00:59:02 CDT)
- Xiao He (Tue Sep 21 2004 - 00:40:16 CDT)
AMBER: about mm_pbsa parameter
- Oliver Hucke (Fri Sep 24 2004 - 10:49:22 CDT)
- Xiao He (Thu Sep 23 2004 - 22:56:04 CDT)
AMBER: about PARALLEL run on SGI.
- David A. Case (Sun Sep 19 2004 - 19:49:30 CDT)
- Ji Changge (Sat Sep 18 2004 - 01:47:38 CDT)
AMBER: About tree structure of TRP residue
- David A. Case (Wed Sep 01 2004 - 12:48:34 CDT)
AMBER: all_nucleic02 and all_nucleic94
- David A. Case (Wed Sep 22 2004 - 11:59:01 CDT)
- Vlad Cojocaru (Wed Sep 22 2004 - 05:40:10 CDT)
AMBER: all_nucleic94 versus all_nucleic02
- Ross Walker (Wed Sep 22 2004 - 12:11:21 CDT)
- Ross Walker (Wed Sep 22 2004 - 10:53:49 CDT)
- Jiten (Wed Sep 22 2004 - 10:45:36 CDT)
- Vlad Cojocaru (Wed Sep 22 2004 - 10:15:12 CDT)
AMBER: Amber
- Tomas Linhart (Tue Sep 28 2004 - 14:50:28 CDT)
- Thomas E. Cheatham, III (Tue Sep 28 2004 - 14:37:25 CDT)
- bybaker_at_itsa.ucsf.edu (Tue Sep 28 2004 - 14:28:32 CDT)
AMBER: Amber 7 Compiling Problem
- Stephen P. Molnar, Ph.D. (Fri Sep 17 2004 - 13:32:02 CDT)
- Stephen P. Molnar, Ph.D. (Fri Sep 17 2004 - 13:24:52 CDT)
- David A. Case (Fri Sep 17 2004 - 12:23:23 CDT)
- Stephen P. Molnar, Ph.D. (Fri Sep 17 2004 - 12:33:47 CDT)
- David A. Case (Fri Sep 17 2004 - 11:29:58 CDT)
- Stephen P. Molnar, Ph.D. (Fri Sep 17 2004 - 10:33:15 CDT)
AMBER: amber 8
- Ross Walker (Tue Sep 14 2004 - 10:40:26 CDT)
- Abd Ghani Bin Abd Aziz (Tue Sep 14 2004 - 10:28:47 CDT)
- Ross Walker (Tue Sep 14 2004 - 10:09:31 CDT)
- Abd Ghani Bin Abd Aziz (Tue Sep 14 2004 - 08:17:56 CDT)
AMBER: amber 8 error on installation
- Abd Ghani Bin Abd Aziz (Sun Sep 26 2004 - 08:47:04 CDT)
- Carlos Simmerling (Sun Sep 26 2004 - 08:24:08 CDT)
- Abd Ghani Bin Abd Aziz (Sun Sep 26 2004 - 07:55:07 CDT)
AMBER: Amber 8 installation error on Xeon 2-CPU
- Bill Ross (Thu Sep 23 2004 - 19:17:17 CDT)
- Ross Walker (Thu Sep 23 2004 - 18:32:49 CDT)
- Kei ODAI (Thu Sep 23 2004 - 18:11:15 CDT)
AMBER: Amber job submission using PBS
- Jiten (Fri Sep 24 2004 - 01:21:27 CDT)
- Jiten (Thu Sep 23 2004 - 23:09:06 CDT)
- Jiten (Thu Sep 23 2004 - 23:05:39 CDT)
- Bill Ross (Thu Sep 23 2004 - 14:18:37 CDT)
- Thomas E. Cheatham, III (Thu Sep 23 2004 - 12:59:00 CDT)
- Guanglei Cui (Thu Sep 23 2004 - 12:49:35 CDT)
- Ross Walker (Thu Sep 23 2004 - 12:44:04 CDT)
- Jiten (Thu Sep 23 2004 - 12:04:36 CDT)
- Jiten (Thu Sep 23 2004 - 11:57:35 CDT)
- Guanglei Cui (Thu Sep 23 2004 - 11:20:30 CDT)
- Jiten (Thu Sep 23 2004 - 11:11:41 CDT)
- Guanglei Cui (Thu Sep 23 2004 - 10:52:01 CDT)
- Jiten (Thu Sep 23 2004 - 10:44:39 CDT)
AMBER: Amber-7:Bugfix.47
- Ross Walker (Mon Sep 27 2004 - 15:34:36 CDT)
- David A. Case (Mon Sep 27 2004 - 15:20:20 CDT)
- sachin patil (Mon Sep 27 2004 - 14:32:21 CDT)
AMBER: Amber7 - mm_pbsa/molsurf
- Oliver Hucke (Fri Sep 10 2004 - 13:03:57 CDT)
- Nadine Homeyer (Fri Sep 10 2004 - 07:25:20 CDT)
AMBER: AMBER7 : Hybrid macromolecule
- david.evans_at_ulsop.ac.uk (Mon Sep 13 2004 - 11:30:43 CDT)
- Guillaume Bollot (Mon Sep 13 2004 - 10:54:28 CDT)
AMBER: AMBER7 : update gaff and parm99 force field
- David A. Case (Mon Sep 13 2004 - 14:59:12 CDT)
- Guillaume Bollot (Mon Sep 13 2004 - 08:35:01 CDT)
AMBER: Amber7 tleap problem
- David A. Case (Sat Sep 04 2004 - 15:11:39 CDT)
- Ed Pate (Sat Sep 04 2004 - 14:03:47 CDT)
AMBER: amber8 installation
- Andreas Svrcek-Seiler (Wed Sep 22 2004 - 06:05:02 CDT)
- mathew k varghese (Wed Sep 22 2004 - 02:07:50 CDT)
AMBER: amber8 performance problem on Itanium II's
- Sergio E. Wong (Fri Sep 17 2004 - 13:23:18 CDT)
- Andreas Svrcek-Seiler (Fri Sep 17 2004 - 03:52:53 CDT)
- Sergio E. Wong (Thu Sep 16 2004 - 23:18:47 CDT)
AMBER: amber8 tests
- David A. Case (Wed Sep 22 2004 - 13:28:34 CDT)
- mathew k varghese (Wed Sep 22 2004 - 09:30:09 CDT)
AMBER: Amber: BOMB
- David A. Case (Wed Sep 08 2004 - 09:55:04 CDT)
- Ross Walker (Wed Sep 08 2004 - 09:42:53 CDT)
- Helios (Wed Sep 08 2004 - 07:18:11 CDT)
AMBER: Amber:how to increase the memory allocation?
- David A. Case (Thu Sep 09 2004 - 10:38:12 CDT)
- Helios (Wed Sep 08 2004 - 22:35:14 CDT)
AMBER: An question about PTRAJ
- b86203054_at_ntu.edu.tw (Mon Sep 13 2004 - 12:35:51 CDT)
- b86203054_at_ntu.edu.tw (Mon Sep 13 2004 - 12:37:00 CDT)
- Thomas E. Cheatham, III (Sat Sep 11 2004 - 14:06:05 CDT)
- Stef (Sat Sep 11 2004 - 03:01:52 CDT)
- b86203054_at_ntu.edu.tw (Fri Sep 10 2004 - 20:29:17 CDT)
AMBER: anal error
- Guanglei Cui (Thu Sep 30 2004 - 15:28:35 CDT)
AMBER: Analysis mm_pbsa result
- Xiao He (Fri Sep 24 2004 - 21:53:08 CDT)
AMBER: Antechamber Failure
- David A. Case (Wed Sep 08 2004 - 17:48:41 CDT)
- Johnson Agbo (Wed Sep 08 2004 - 16:56:58 CDT)
AMBER: Atom distance
- Thomas E. Cheatham, III (Mon Sep 27 2004 - 15:48:11 CDT)
- bybaker_at_itsa.ucsf.edu (Mon Sep 27 2004 - 15:39:49 CDT)
- Tomas Linhart (Mon Sep 27 2004 - 02:12:59 CDT)
- bybaker_at_itsa.ucsf.edu (Mon Sep 27 2004 - 01:59:05 CDT)
AMBER: back interpret
- David A. Case (Wed Sep 15 2004 - 17:23:18 CDT)
- Carlos Simmerling (Wed Sep 15 2004 - 17:08:40 CDT)
- Joshua Hicks (Wed Sep 15 2004 - 16:49:57 CDT)
AMBER: bond between two polypeptides
- David A. Case (Tue Sep 14 2004 - 11:20:23 CDT)
- Jagdish Rai (Tue Sep 14 2004 - 03:19:48 CDT)
AMBER: bond constraints in nmode
- David A. Case (Wed Sep 15 2004 - 11:03:09 CDT)
- richard dimelow (Wed Sep 15 2004 - 10:15:05 CDT)
AMBER: building parameters with Amber
- Furse, Kristina Elisabet (Wed Sep 22 2004 - 13:36:41 CDT)
- Amber admin (Wed Sep 22 2004 - 11:41:38 CDT)
AMBER: Compilation Problem in Amber 7
- Ross Walker (Mon Sep 13 2004 - 23:05:35 CDT)
- Stephen P. Molnar, Ph.D. (Mon Sep 13 2004 - 10:54:27 CDT)
AMBER: Compiling AMBER8
- David A. Case (Thu Sep 30 2004 - 10:59:42 CDT)
- Justin Sanders (Thu Sep 30 2004 - 09:54:05 CDT)
AMBER: compressed files
- Ross Walker (Wed Sep 22 2004 - 12:20:18 CDT)
- Jessica Koplin (Wed Sep 22 2004 - 11:56:27 CDT)
AMBER: Differences in RESP charges for G in RG and DG residues
- FyD (Sat Sep 04 2004 - 05:12:33 CDT)
AMBER: dihedral
- Thomas E. Cheatham, III (Sun Sep 26 2004 - 21:13:42 CDT)
- hj zou (Sun Sep 26 2004 - 20:08:20 CDT)
AMBER: Electrostatic potential from the trajectory !
- Ross Walker (Wed Sep 08 2004 - 06:32:58 CDT)
- Pradipta Bandyopadhyay (Tue Sep 07 2004 - 06:40:09 CDT)
AMBER: error in installing amber8
- David A. Case (Wed Sep 08 2004 - 11:23:04 CDT)
- Bill Ross (Wed Sep 08 2004 - 09:49:11 CDT)
- anshul_at_imtech.res.in (Wed Sep 08 2004 - 16:39:27 CDT)
- Scott Brozell (Thu Sep 02 2004 - 10:56:50 CDT)
- David A. Case (Thu Sep 02 2004 - 10:31:02 CDT)
- anshul_at_imtech.res.in (Thu Sep 02 2004 - 17:37:12 CDT)
AMBER: extra points
- David A. Case (Thu Sep 16 2004 - 12:26:09 CDT)
- richard dimelow (Thu Sep 16 2004 - 11:21:05 CDT)
AMBER: F90 compiler for linux ppc64
- Guanglei Cui (Wed Sep 15 2004 - 10:28:17 CDT)
- Carlos P. Sosa (Wed Sep 15 2004 - 10:10:32 CDT)
- Guanglei Cui (Wed Sep 15 2004 - 09:42:12 CDT)
AMBER: Force Compiling AMBER8 for an SGI O2
- Justin Sanders (Thu Sep 16 2004 - 13:34:12 CDT)
AMBER: GB and langevin dynamics
- David A. Case (Wed Sep 15 2004 - 17:01:31 CDT)
- Sergio E. Wong (Wed Sep 15 2004 - 14:38:43 CDT)
- David A. Case (Mon Sep 13 2004 - 14:59:31 CDT)
- Sergio E. Wong (Fri Sep 10 2004 - 00:41:18 CDT)
AMBER: general questions
- Stefano.Pieraccini_at_unimi.it (Tue Sep 07 2004 - 06:11:01 CDT)
- Marsita M (Mon Sep 06 2004 - 10:58:34 CDT)
AMBER: Great help:Analysis mm_pbsa result
- Xiao He (Mon Sep 27 2004 - 09:44:03 CDT)
AMBER: How many ions?
- Volodymyr Zloy (Fri Sep 10 2004 - 06:23:38 CDT)
AMBER: how to visualize modes from PCA
- Carlos Simmerling (Mon Sep 27 2004 - 11:13:10 CDT)
- Vlad Cojocaru (Mon Sep 27 2004 - 11:05:35 CDT)
AMBER: ifort installation
- Nhat-hang Duong (Sun Sep 19 2004 - 14:03:32 CDT)
- mathew k varghese (Sun Sep 19 2004 - 03:46:57 CDT)
AMBER: impose: Illegal angle internal definition
- David A. Case (Wed Sep 29 2004 - 14:13:36 CDT)
- Madalin Giambasu (Wed Sep 29 2004 - 11:34:18 CDT)
AMBER: Increase lastrst in the &cntrl namelist
- David A. Case (Wed Sep 01 2004 - 13:22:07 CDT)
- Carlos Simmerling (Wed Sep 01 2004 - 12:54:37 CDT)
- Sichun Yang (Wed Sep 01 2004 - 12:19:18 CDT)
- Osman Gani (Wed Sep 01 2004 - 01:51:32 CDT)
- Sichun Yang (Wed Sep 01 2004 - 01:29:27 CDT)
AMBER: Intel Fortran Compiler Problem
- Ross Walker (Thu Sep 16 2004 - 23:00:30 CDT)
- Robert Duke (Wed Sep 15 2004 - 11:12:46 CDT)
- David A. Case (Wed Sep 15 2004 - 11:08:04 CDT)
- Stephen P. Molnar, Ph.D. (Wed Sep 15 2004 - 11:23:30 CDT)
- Robert Duke (Wed Sep 15 2004 - 10:38:03 CDT)
- Robert Duke (Wed Sep 15 2004 - 10:30:11 CDT)
- Viktor Hornak (Wed Sep 15 2004 - 10:18:01 CDT)
- Stephen P. Molnar, Ph.D. (Wed Sep 15 2004 - 10:38:11 CDT)
- Viktor Hornak (Wed Sep 15 2004 - 09:52:04 CDT)
- Robert Duke (Wed Sep 15 2004 - 09:52:50 CDT)
- Stephen P. Molnar, Ph.D. (Wed Sep 15 2004 - 10:13:49 CDT)
- Viktor Hornak (Wed Sep 15 2004 - 09:33:44 CDT)
- Stephen P. Molnar, Ph.D. (Wed Sep 15 2004 - 09:52:55 CDT)
AMBER: intramolecular energies
- Guanglei Cui (Tue Sep 28 2004 - 12:38:16 CDT)
- David A. Case (Tue Sep 28 2004 - 12:11:57 CDT)
- Guanglei Cui (Tue Sep 28 2004 - 11:11:10 CDT)
- David A. Case (Tue Sep 28 2004 - 10:43:11 CDT)
- Guanglei Cui (Mon Sep 27 2004 - 20:55:41 CDT)
- David A. Case (Mon Sep 27 2004 - 18:27:25 CDT)
- Guanglei Cui (Mon Sep 27 2004 - 16:17:11 CDT)
AMBER: is it a bug in mmpbsa
- Shan, Jufang (Tue Sep 07 2004 - 09:29:27 CDT)
AMBER: loading frcmod.mod_phipsi.1
- bybaker_at_itsa.ucsf.edu (Thu Sep 02 2004 - 17:18:07 CDT)
- Bill Ross (Thu Sep 02 2004 - 17:07:44 CDT)
- bybaker_at_itsa.ucsf.edu (Thu Sep 02 2004 - 16:12:04 CDT)
AMBER: MAC Based Beowulf Cluster
- Peter Gannett (Thu Sep 09 2004 - 18:17:14 CDT)
AMBER: make install error
- Abd Ghani Bin Abd Aziz (Tue Sep 14 2004 - 10:23:37 CDT)
- Abd Ghani Bin Abd Aziz (Sun Sep 12 2004 - 07:53:52 CDT)
- Robert Duke (Sun Sep 12 2004 - 07:46:30 CDT)
- Abd Ghani Bin Abd Aziz (Sun Sep 12 2004 - 07:40:42 CDT)
- Robert Duke (Sun Sep 12 2004 - 06:52:48 CDT)
- Abd Ghani Bin Abd Aziz (Sun Sep 12 2004 - 06:25:19 CDT)
- Ross Walker (Sun Sep 12 2004 - 05:15:03 CDT)
- Abd Ghani Bin Abd Aziz (Sat Sep 11 2004 - 04:56:40 CDT)
- Ross Walker (Fri Sep 10 2004 - 17:41:02 CDT)
- Abd Ghani Bin Abd Aziz (Fri Sep 10 2004 - 06:21:15 CDT)
AMBER: MAXRING Antechamber problem
- Karl N. Kirschner (Wed Sep 22 2004 - 15:17:31 CDT)
- Ross Walker (Tue Sep 21 2004 - 14:49:51 CDT)
- Karl N. Kirschner (Tue Sep 21 2004 - 14:37:44 CDT)
AMBER: md problem
- Volodymyr Zloy (Mon Sep 20 2004 - 13:05:25 CDT)
- Ross Walker (Thu Sep 16 2004 - 09:43:19 CDT)
- Furse, Kristina Elisabet (Wed Sep 15 2004 - 14:53:23 CDT)
- Volodymyr Zloy (Wed Sep 15 2004 - 11:03:29 CDT)
AMBER: minimization problem
- David A. Case (Sat Sep 25 2004 - 13:43:49 CDT)
- hj zou (Sat Sep 25 2004 - 04:30:11 CDT)
AMBER: MM binding energy with ANAL
- David A. Case (Tue Sep 14 2004 - 17:32:48 CDT)
- Ben Cossins (Tue Sep 14 2004 - 07:56:37 CDT)
AMBER: mm_pbsa for Delphi
- Helios Chen (Tue Sep 14 2004 - 04:28:28 CDT)
AMBER: mm_pbsa nmode problem
- Fang, Jianwen (Fri Sep 17 2004 - 17:28:47 CDT)
AMBER: mm_pbsa.pl nmode entropy estimating problem
- David A. Case (Wed Sep 22 2004 - 15:29:04 CDT)
- jwfang (Wed Sep 22 2004 - 14:30:21 CDT)
AMBER: mmpbsa: can not generate coordinates/snapshots
- Magne Olufsen (Mon Sep 13 2004 - 05:37:54 CDT)
AMBER: Moil-view & Amber trajectory
- Carlos Simmerling (Tue Sep 21 2004 - 11:17:59 CDT)
- opitz_at_che.udel.edu (Mon Sep 20 2004 - 16:59:39 CDT)
- Thomas E. Cheatham, III (Fri Sep 17 2004 - 16:23:14 CDT)
- Carlos Simmerling (Fri Sep 17 2004 - 16:01:37 CDT)
- opitz_at_che.udel.edu (Fri Sep 17 2004 - 15:41:42 CDT)
AMBER: Monte Carlo simulation
- David A. Case (Fri Sep 10 2004 - 16:56:20 CDT)
- tang kwa (Fri Sep 10 2004 - 07:15:35 CDT)
AMBER: More details about free energy
- Xiao He (Sun Sep 19 2004 - 03:02:53 CDT)
AMBER: MPICH problem
- Ross Walker (Sun Sep 12 2004 - 05:12:05 CDT)
- Abd Ghani Bin Abd Aziz (Fri Sep 10 2004 - 07:33:45 CDT)
AMBER: nbflag
- cailliez (Fri Sep 24 2004 - 10:20:13 CDT)
- David A. Case (Fri Sep 24 2004 - 10:15:20 CDT)
- cailliez (Fri Sep 24 2004 - 01:44:22 CDT)
AMBER: nmode
- David A. Case (Tue Sep 14 2004 - 18:13:14 CDT)
- Carsten Detering (Tue Sep 14 2004 - 17:29:49 CDT)
AMBER: nmode error
- David A. Case (Sat Sep 25 2004 - 13:44:37 CDT)
- Xiao He (Fri Sep 24 2004 - 21:17:24 CDT)
AMBER: Nucgen and PNA?
- opitz_at_che.udel.edu (Thu Sep 09 2004 - 08:36:25 CDT)
- Rhonda Torres (Wed Sep 08 2004 - 16:22:30 CDT)
- opitz_at_che.udel.edu (Wed Sep 08 2004 - 16:14:42 CDT)
AMBER: output of mm_pbsa.log
- Xiao He (Sat Sep 25 2004 - 04:30:16 CDT)
AMBER: Parameters for Inosine
- Jiri Sponer (Fri Sep 24 2004 - 15:02:59 CDT)
- yuqin cai (Fri Sep 24 2004 - 13:51:40 CDT)
AMBER: parameters-DGnp
- John (Wed Sep 01 2004 - 19:25:03 CDT)
AMBER: phosphoserine library component
- FyD (Fri Sep 24 2004 - 12:10:40 CDT)
- David A. Case (Fri Sep 24 2004 - 10:25:10 CDT)
- Jiten (Fri Sep 24 2004 - 09:25:24 CDT)
- jwcraft_at_uh.edu (Fri Sep 24 2004 - 09:01:28 CDT)
AMBER: Phosphoserine parameters
- Joseph Nachman (Wed Sep 29 2004 - 10:50:24 CDT)
- Oliver Hucke (Tue Sep 28 2004 - 18:53:27 CDT)
- Venkata S Koppuravuri (Tue Sep 28 2004 - 15:41:23 CDT)
AMBER: PMEMD
- Robert Duke (Fri Sep 17 2004 - 11:56:01 CDT)
- Greg Kellogg (Fri Sep 17 2004 - 11:20:00 CDT)
AMBER: principal axis
- Thomas E. Cheatham, III (Wed Sep 15 2004 - 10:41:37 CDT)
- Alberto Perez (Wed Sep 15 2004 - 08:36:37 CDT)
AMBER: Principal Component Analysis
- Vlad Cojocaru (Mon Sep 27 2004 - 07:09:50 CDT)
AMBER: Problem with MacroMolecule to AMBER7
- Sébastien Osborne (Fri Sep 17 2004 - 11:04:48 CDT)
- Guillaume Bollot (Fri Sep 17 2004 - 10:56:22 CDT)
AMBER: Ptraj data
- Elijah Gregory (Tue Sep 21 2004 - 17:04:45 CDT)
- Thomas E. Cheatham, III (Tue Sep 21 2004 - 13:59:58 CDT)
- Viktor Hornak (Tue Sep 21 2004 - 13:43:44 CDT)
- Steve Seibold (Tue Sep 21 2004 - 13:13:49 CDT)
AMBER: ptraj problem
- Marsita M (Thu Sep 23 2004 - 18:53:53 CDT)
AMBER: Pulling versus Distance Restraints
- Furse, Kristina Elisabet (Wed Sep 01 2004 - 12:08:49 CDT)
AMBER: question about delphi and UHBD
- xhu1_at_memphis.edu (Thu Sep 30 2004 - 11:52:01 CDT)
- xhu1_at_memphis.edu (Wed Sep 29 2004 - 14:11:47 CDT)
- Ray Luo (Tue Sep 28 2004 - 17:19:59 CDT)
- xhu1_at_memphis.edu (Tue Sep 28 2004 - 17:06:12 CDT)
- Carlos Simmerling (Tue Sep 28 2004 - 15:46:43 CDT)
- xhu1_at_memphis.edu (Tue Sep 28 2004 - 15:32:51 CDT)
- Thomas E. Cheatham, III (Tue Sep 28 2004 - 14:34:59 CDT)
- Ray Luo (Tue Sep 28 2004 - 12:58:11 CDT)
- xhu1_at_memphis.edu (Tue Sep 28 2004 - 11:19:32 CDT)
AMBER: question about J. Am. Chem. Soc. 2001, 123, 5221 paper
- jwfang (Thu Sep 23 2004 - 10:15:36 CDT)
AMBER: Question about Parallel Compilation
- David LeBard (Wed Sep 22 2004 - 21:49:47 CDT)
- David A. Case (Wed Sep 22 2004 - 11:49:02 CDT)
- David LeBard (Tue Sep 21 2004 - 18:12:54 CDT)
AMBER: Question Amber8 install errer with Windows
- David A. Case (Fri Sep 24 2004 - 15:41:18 CDT)
- Amber admin (Fri Sep 24 2004 - 14:46:06 CDT)
AMBER: question on mm-pbsa
- Holger Gohlke (Wed Sep 01 2004 - 13:55:50 CDT)
- cailliez (Wed Sep 01 2004 - 04:48:54 CDT)
AMBER: Questions on simulating dendrimer in AMBER.
- Hwankyu Lee (Sun Sep 19 2004 - 22:21:03 CDT)
AMBER: R.E.D. II to Vlad
- FyD (Wed Sep 15 2004 - 11:25:44 CDT)
AMBER: radius of gyration
- Bill Ross (Sun Sep 26 2004 - 22:49:40 CDT)
- Bill Ross (Sun Sep 26 2004 - 22:41:58 CDT)
- Sanjeev B.S. (Sun Sep 26 2004 - 02:04:51 CDT)
- Marsita M (Sun Sep 26 2004 - 01:40:24 CDT)
- Sanjeev B.S. (Sat Sep 25 2004 - 22:28:32 CDT)
- Marsita M (Sat Sep 25 2004 - 21:13:25 CDT)
AMBER: Re. HSG Convention
- David A. Case (Wed Sep 01 2004 - 11:01:44 CDT)
- jwcraft_at_uh.edu (Wed Sep 01 2004 - 10:48:41 CDT)
AMBER: regular ewald sum in Amber8
- David A. Case (Fri Sep 24 2004 - 14:12:30 CDT)
- Jianwen Jiang (Fri Sep 24 2004 - 11:15:34 CDT)
AMBER: REM make test
- Carlos Simmerling (Fri Sep 10 2004 - 08:35:18 CDT)
- Sergio E. Wong (Thu Sep 09 2004 - 19:55:49 CDT)
- David A. Case (Thu Sep 09 2004 - 18:40:13 CDT)
- Sergio E. Wong (Thu Sep 09 2004 - 17:50:50 CDT)
AMBER: replica exchange with thermodynamic integration
- David A. Case (Fri Sep 24 2004 - 10:44:01 CDT)
- david.evans_at_ulsop.ac.uk (Thu Sep 23 2004 - 06:18:44 CDT)
AMBER: resp error message
- FyD (Thu Sep 30 2004 - 11:54:33 CDT)
- Andre Farias de Moura (Thu Sep 30 2004 - 08:58:38 CDT)
- FyD (Wed Sep 29 2004 - 15:54:12 CDT)
- Andre Farias de Moura (Wed Sep 29 2004 - 12:41:05 CDT)
- FyD (Wed Sep 29 2004 - 14:55:26 CDT)
- Andre Farias de Moura (Wed Sep 29 2004 - 11:25:07 CDT)
AMBER: RESP problem...
- FyD (Mon Sep 20 2004 - 14:59:04 CDT)
AMBER: REST
- Melinda Layten (Wed Sep 08 2004 - 15:51:30 CDT)
- Yanze Zhang (Wed Sep 08 2004 - 15:09:31 CDT)
AMBER: RESTARTED DUE TO LINMIN FAILURE ...
- cailliez (Thu Sep 23 2004 - 03:42:31 CDT)
- ying xiong (Thu Sep 23 2004 - 03:24:13 CDT)
AMBER: restrain on the distance between two molecules.
- Nhat-hang Duong (Tue Sep 14 2004 - 16:34:49 CDT)
- Qiang Lu (Tue Sep 14 2004 - 16:18:00 CDT)
AMBER: restraining internal coordinates
- Carlos Simmerling (Thu Sep 16 2004 - 12:04:14 CDT)
- Taner E. Dirama (Thu Sep 16 2004 - 11:53:51 CDT)
AMBER: Restraints in sander.QMMM
- David A. Case (Tue Sep 14 2004 - 17:21:07 CDT)
- Joseph Fernandez (Tue Sep 14 2004 - 15:54:07 CDT)
AMBER: Sander TI with NTR = 1.
- David A. Case (Thu Sep 16 2004 - 09:56:48 CDT)
- Chunhu Tan (Wed Sep 15 2004 - 18:33:47 CDT)
AMBER: sander8 compile: myrinet and mpigm
- Guanglei Cui (Mon Sep 20 2004 - 15:42:14 CDT)
AMBER: scaling 1-4 NB interaction for rings
- David A. Case (Wed Sep 29 2004 - 10:11:02 CDT)
- j-shimada_at_az.jp.nec.com (Wed Sep 29 2004 - 09:16:38 CDT)
AMBER: Setting up thermodynamic integration
- david.evans_at_ulsop.ac.uk (Wed Sep 01 2004 - 12:24:40 CDT)
- david.evans_at_ulsop.ac.uk (Wed Sep 01 2004 - 09:31:10 CDT)
AMBER: Spike in energy and RMS
- Andreas Svrcek-Seiler (Thu Sep 09 2004 - 04:37:57 CDT)
- Ross Walker (Wed Sep 08 2004 - 09:37:26 CDT)
- Balvinder Singh (Wed Sep 08 2004 - 17:49:04 CDT)
AMBER: target rmsd
- Viktor Hornak (Mon Sep 13 2004 - 17:15:56 CDT)
- William Andrew McLaughlin (Mon Sep 13 2004 - 16:40:24 CDT)
- Viktor Hornak (Mon Sep 13 2004 - 15:57:07 CDT)
- Carlos Simmerling (Mon Sep 13 2004 - 15:49:30 CDT)
- William Andrew McLaughlin (Mon Sep 13 2004 - 15:35:51 CDT)
AMBER: Test Calculation of atomic charges (RESP) for RNA bases
- FyD (Mon Sep 13 2004 - 16:59:11 CDT)
- Vlad Cojocaru (Mon Sep 13 2004 - 05:10:48 CDT)
- FyD (Fri Sep 10 2004 - 19:35:09 CDT)
- Piotr Cieplak (Fri Sep 10 2004 - 12:28:25 CDT)
- Vlad Cojocaru (Fri Sep 10 2004 - 08:41:26 CDT)
AMBER: Testing Delphi for mm_pbsa
- Scott Pendley (Thu Sep 30 2004 - 12:20:15 CDT)
AMBER: The convergence of energy minimisation
- Binbin Liu (Tue Sep 28 2004 - 14:10:56 CDT)
AMBER: The question about SAS calculation in MM_PBSA
- David A. Case (Wed Sep 22 2004 - 13:29:52 CDT)
- Jack Lei (Mon Sep 20 2004 - 12:19:29 CDT)
AMBER: TI with sander
- David A. Case (Tue Sep 14 2004 - 14:20:49 CDT)
- Oliver Hucke (Tue Sep 14 2004 - 13:58:01 CDT)
AMBER: trajectory
- Wen Li (Thu Sep 23 2004 - 08:35:21 CDT)
AMBER: Trajectory file conversion between Amber & Charmm
- Thomas E. Cheatham, III (Mon Sep 20 2004 - 13:18:46 CDT)
- Carlos Simmerling (Mon Sep 20 2004 - 12:59:41 CDT)
- CK Sim (Mon Sep 20 2004 - 12:45:09 CDT)
AMBER: unformatted md problem
- David A. Case (Mon Sep 27 2004 - 10:06:05 CDT)
- richard dimelow (Mon Sep 27 2004 - 08:13:40 CDT)
AMBER: VDWAALS error during minimisation
- Ross Walker (Thu Sep 16 2004 - 10:20:34 CDT)
- anita pachaimuthu (Thu Sep 16 2004 - 09:42:34 CDT)
AMBER: want to generate ammonium ion..where to start?
- Grace Li (Tue Sep 14 2004 - 11:48:20 CDT)
AMBER: Water Box & MD
- bybaker_at_itsa.ucsf.edu (Thu Sep 02 2004 - 16:48:00 CDT)
AMBER: xLeap menus not working properly
- Heike.Meiselbach_at_chemie.uni-erlangen.de (Wed Sep 08 2004 - 04:19:13 CDT)
- Hannes Barsch (Wed Sep 08 2004 - 03:14:38 CDT)
Atom distance
- bybaker_at_itsa.ucsf.edu (Mon Sep 27 2004 - 20:21:20 CDT)
Delphi PATH question
- Xiao He (Wed Sep 22 2004 - 10:47:47 CDT)
- hj zou (Wed Sep 22 2004 - 08:40:23 CDT)
- hj zou (Sat Sep 18 2004 - 01:22:08 CDT)
to Francois
- Vlad Cojocaru (Tue Sep 14 2004 - 06:35:13 CDT)
your message to amber...
- hj zou (Fri Sep 10 2004 - 08:46:58 CDT)

Last message date: Thu May 05 2005 - 14:26:38 CDT
Archived on: Thu May 05 2005 - 14:30:04 CDT

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