AMBER Archive (2000) - Sep 2000 By Thread

Starting: Fri Sep 01 2000 - 05:34:47 CDT
Ending: Sat Sep 30 2000 - 20:07:53 CDT

• Calcium bonds schayg_at_puskin-a206.sote.hu (Thu Sep 07 2000 - 06:24:10 CDT)
• Re: Brief courses on AMBER 6 Jarrod Smith (Fri Sep 01 2000 - 12:12:42 CDT)
• Can I create a prmtop file without unwanted H atoms? Margaret Cheung (Fri Sep 01 2000 - 19:48:20 CDT)
• question about 2DRMSd made by rdparm. Margaret Cheung (Fri Sep 01 2000 - 05:34:47 CDT)
• NATOMS > 99999 for sander 6.0 Todd J. Minehardt (Mon Sep 04 2000 - 09:25:27 CDT)
• last message continued Todd J. Minehardt (Mon Sep 04 2000 - 09:27:52 CDT)
  • NATOMS > 99999 David Konerding (Mon Sep 04 2000 - 11:03:55 CDT)
• ..and also getcor.f.... Todd J. Minehardt (Mon Sep 04 2000 - 09:42:52 CDT)
• DFT parital charges Riccardo Nifosi (Mon Sep 04 2000 - 09:47:24 CDT)
• Gibbs / Torcon problem Terreux Raphael (Mon Sep 04 2000 - 12:53:58 CDT)
• ambpdb input format Garrett W Grahek (Mon Sep 04 2000 - 15:58:29 CDT)
• Leap problems with Zn, DNA Michael Cooney (Tue Sep 05 2000 - 16:59:54 CDT)
• sander_pme.MC examples leila ayadi (Wed Sep 06 2000 - 09:13:05 CDT)
• RAdius of Gyration Dat H. Nguyen (Wed Sep 06 2000 - 15:05:50 CDT)
• Re: RAdius of Gyration Bill Ross (Wed Sep 06 2000 - 17:11:16 CDT)
• partial solvation EOIN GALLIGAN (Thu Sep 07 2000 - 09:53:10 CDT)
• Amber6 environment error kian kani (Thu Sep 07 2000 - 12:24:57 CDT)
  • Re: Amber6 environment error Thomas A. Spraggins (Thu Sep 07 2000 - 13:24:07 CDT)
  • Re: Amber6 environment error schayg_at_puskin-a206.sote.hu (Thu Sep 07 2000 - 15:44:11 CDT)
• Re: Calcium bonds Bill Ross (Thu Sep 07 2000 - 13:50:47 CDT)
• partial solvation EOIN GALLIGAN (Fri Sep 08 2000 - 05:56:30 CDT)
• radius of gyration Peter Gannett (Mon Sep 11 2000 - 12:24:10 CDT)
• Re: radius of gyration Bill Ross (Mon Sep 11 2000 - 14:41:00 CDT)
• NAMOT J. Bryan Buckalew (Mon Sep 11 2000 - 15:18:49 CDT)
• Machine file for SV1 Matthew Lee (Mon Sep 11 2000 - 16:23:52 CDT)
• Adding divalent metal ions to libraries Michael Cooney (Tue Sep 12 2000 - 16:31:06 CDT)
• Ewald bomb ? Terreux Raphael (Tue Sep 12 2000 - 17:51:01 CDT)
• compiling problems Paolo Dapporto (Wed Sep 13 2000 - 03:01:04 CDT)
  • Re: compiling problems Todd J. Minehardt (Wed Sep 13 2000 - 10:02:24 CDT)
• GB/SA question Andreas Svrcek-Seiler (Wed Sep 13 2000 - 09:47:11 CDT)
  • EWALD parameter range problem schayg_at_puskin-a206.sote.hu (Wed Sep 13 2000 - 13:48:24 CDT)
    • Re: EWALD parameter range problem darden (Wed Sep 13 2000 - 17:29:16 CDT)
• compile on ibm Todd J. Minehardt (Wed Sep 13 2000 - 10:23:55 CDT)
• IBM SP Matthew Lee (Wed Sep 13 2000 - 12:27:32 CDT)
• NMODE Tuomo Laitinen (Thu Sep 14 2000 - 01:36:43 CDT)
  • Re: NMODE Todd J. Minehardt (Thu Sep 14 2000 - 09:13:49 CDT)
• VRAND Craig Marhefka (Thu Sep 14 2000 - 08:48:49 CDT)
• Re: problem with leap Bill Ross (Thu Sep 14 2000 - 12:52:17 CDT)
• problem with leap Prem Raj Joseph (Thu Sep 14 2000 - 22:31:57 CDT)
• RE:pdb_MD Krishna Bisetty (Fri Sep 15 2000 - 07:18:53 CDT)
• delphi Pascal Bonnet (Fri Sep 15 2000 - 08:29:43 CDT)
• ANAL J. Bryan Buckalew (Fri Sep 15 2000 - 09:48:08 CDT)
• carbohydrates Boyd (Fri Sep 15 2000 - 11:25:21 CDT)
  • Call for Papers - ACS Symposium: "Artificial Intelligence in Computational Chemistry" Curt M. Breneman (Fri Sep 15 2000 - 12:23:31 CDT)
• C=C gail louise dempsey (Fri Sep 15 2000 - 11:25:34 CDT)
• edit.out David Small (Fri Sep 15 2000 - 15:19:07 CDT)
• Amber6/Compaq jim caldwell (Fri Sep 15 2000 - 16:27:16 CDT)
• Re: Can amber6.0 do the implicit sovation model? Vickie Tsui (Mon Sep 18 2000 - 01:36:35 CDT)
• erfcfun.c for Alpha Yasuyuki Fujii (Wed Sep 20 2000 - 00:55:10 CDT)
  • Re: erfcfun.c for Alpha Chuck Schneider (Wed Sep 20 2000 - 06:46:43 CDT)
• GB source code question samantha hughes (Wed Sep 20 2000 - 09:12:03 CDT)
• Loading CRD or RST files into Leap Michael Cooney (Wed Sep 20 2000 - 10:55:17 CDT)
  • RE: Loading CRD or RST files into Leap Halima Amer (Wed Sep 20 2000 - 11:57:47 CDT)
• Re: Loading CRD or RST files into Leap Bill Ross (Wed Sep 20 2000 - 14:39:11 CDT)
• To Cray t3e users Grzegorz Jezierski (Thu Sep 21 2000 - 05:21:08 CDT)
• interaction energy Christopher Higgs (Thu Sep 21 2000 - 05:42:00 CDT)
  • Re: interaction energy Michal Otyepka (Thu Sep 21 2000 - 09:02:16 CDT)
• about constraints Hyuk Soon Choi (Thu Sep 21 2000 - 09:22:08 CDT)
• Re: interaction energy Bill Ross (Thu Sep 21 2000 - 10:23:00 CDT)
• DMSO parameters Jose Ramon Blas (Fri Sep 22 2000 - 13:21:06 CDT)
  • Re: DMSO parameters Gunter Wolf (Fri Sep 22 2000 - 04:55:14 CDT)
• Too many atoms Mark A. Zottola (Sat Sep 23 2000 - 11:40:54 CDT)
  • excluded atoms in prmtop files Andreas Svrcek-Seiler (Wed Sep 27 2000 - 09:27:37 CDT)
    • Re: excluded atoms in prmtop files jim caldwell (Wed Sep 27 2000 - 11:12:03 CDT)
• Re: Too many atoms Bill Ross (Sat Sep 23 2000 - 14:55:06 CDT)
• AMBER data file for program DOT Jürgen J. Müller (Mon Sep 25 2000 - 12:12:56 CDT)
• TIP3P water in Amber6 Michael Cooney (Mon Sep 25 2000 - 12:47:19 CDT)
• Re: TIP3P water in Amber6 Bill Ross (Mon Sep 25 2000 - 14:00:25 CDT)
• vdW parameter for S atom Francois Dupradeau (Mon Sep 25 2000 - 19:07:06 CDT)
• AMBER data file for program DOT Jürgen J. Müller (Tue Sep 26 2000 - 00:26:27 CDT)
• REPEATED LINMIN FAILURE Mao Xiang (Tue Sep 26 2000 - 05:12:57 CDT)
• Re: excluded atoms in prmtop files Bill Ross (Wed Sep 27 2000 - 11:06:57 CDT)
• Molecular Dynamics Problem Mark A. Zottola (Wed Sep 27 2000 - 16:37:17 CDT)
• leap problem about periodic boundary box K. Watanabe. (Wed Sep 27 2000 - 21:54:02 CDT)
• Re: leap problem about periodic boundary box Bill Ross (Wed Sep 27 2000 - 22:54:04 CDT)
• nmode out of memory schayg_at_puskin-a206.sote.hu (Thu Sep 28 2000 - 07:35:46 CDT)
  • Re: nmode out of memory David Case (Thu Sep 28 2000 - 10:09:53 CDT)
• MPI gibbs Jarrod Smith (Thu Sep 28 2000 - 10:26:45 CDT)
• movie file Pascal Bonnet (Fri Sep 29 2000 - 04:56:16 CDT)
  • Re: movie file terreux_at_taloa.unice.fr (Fri Sep 29 2000 - 14:24:26 CDT)
• repeated linmin failures Michael Cooney (Fri Sep 29 2000 - 09:49:07 CDT)
• (no subject) Yanni Wang (Fri Sep 29 2000 - 10:42:48 CDT)
  • Re: problem with Interface script David Pearlman (Fri Sep 29 2000 - 12:07:44 CDT)
• Re: movie file Bill Ross (Fri Sep 29 2000 - 12:15:15 CDT)
• HEllo! Dat H. Nguyen (Fri Sep 29 2000 - 13:49:54 CDT)
  • Re: HEllo! Thomas E. Cheatham, III (Sat Sep 30 2000 - 11:36:51 CDT)
• Re: HEllo! Bill Ross (Fri Sep 29 2000 - 14:57:22 CDT)
• perturbing charge Marcela Madrid (Fri Sep 29 2000 - 18:02:41 CDT)
• Re: perturbing charge Bill Ross (Fri Sep 29 2000 - 18:55:00 CDT)
• help with amber 41 on linux redhat 6.2 Margaret Cheung (Sat Sep 30 2000 - 02:49:35 CDT)
  • Re: help with amber 41 on linux redhat 6.2 David Konerding (Sat Sep 30 2000 - 20:07:53 CDT)
• automatic/semi-automatic type assignments Thomas C. Bishop (Sat Sep 30 2000 - 16:37:29 CDT)

Last message date: Sat Dec 30 2000 - 23:44:00 CST
Archived on: Thu May 05 2005 - 14:17:08 CDT