Amber Archive Sep 2000: By Thread

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

Amber Archive Sep 2000 By Thread