Amber Archive Sep 2000 by author

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