Amber Archive Aug 2001 by author

73 messages: Starting Wed Aug 01 2001 - 02:11:59 PDT, Ending Fri Aug 31 2001 - 07:01:32 PDT
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A.Madhumalar
- Re: coordinate resetting ? (Mon Aug 27 2001 - 05:50:59 PDT)
- ERR IN MD RUN!! (Sun Aug 19 2001 - 01:40:19 PDT)
Alexander Steudle
- Combination of two solvents (Wed Aug 15 2001 - 07:58:15 PDT)
Anton B. Guliaev
- movie for subset of atoms (Thu Aug 30 2001 - 13:42:14 PDT)
- sander input in Amber 6 (Fri Aug 17 2001 - 08:14:32 PDT)
backy_at_ibms.sinica.edu.tw
- questions for group specification... (Wed Aug 01 2001 - 02:11:59 PDT)
Bayly, Christopher
- RE: residue numbering in dimers and trimers (Thu Aug 30 2001 - 11:30:47 PDT)
Bill Ross
- Re: residue numbering in dimers and trimers (Thu Aug 30 2001 - 10:00:44 PDT)
- Re: problem using xleap and tleap (Wed Aug 22 2001 - 10:23:27 PDT)
- Re: adding atoms and amino acid residues (Mon Aug 20 2001 - 18:10:48 PDT)
Dat H. Nguyen
- Newton-Raphson minimization! (Thu Aug 30 2001 - 16:20:56 PDT)
David Konerding
- Re: Utilizing Amber6 on Linux Cluster (Wed Aug 22 2001 - 12:41:13 PDT)
- Re: Utilizing Amber6 on Linux Cluster (Wed Aug 22 2001 - 08:31:56 PDT)
DeLano, Warren
- RE: movie for subset of atoms (Thu Aug 30 2001 - 14:32:53 PDT)
Dr. Andrea Cavalli
- Protonated Water (Thu Aug 16 2001 - 00:37:33 PDT)
Elsa de Sousa Henriques
- Re:Re: (to "Xiaolin Chuang") (Fri Aug 24 2001 - 11:38:05 PDT)
Florian Barth
- Re: movie for subset of atoms (Thu Aug 30 2001 - 14:16:00 PDT)
- Linux-cluster performance (Wed Aug 15 2001 - 06:07:51 PDT)
Giulio Rastelli
- torsional profile (Thu Aug 30 2001 - 17:02:39 PDT)
- charge on protein (Wed Aug 15 2001 - 10:08:43 PDT)
- water molecules in a periodic box (Mon Aug 06 2001 - 10:03:41 PDT)
Guido Hansen
- coordinate resetting ? (Mon Aug 27 2001 - 01:46:51 PDT)
HAllawi_at_TWT.com
- MAXGRP parameter (Mon Aug 20 2001 - 10:18:33 PDT)
Harald Lanig
- Model(l)ing 2001 in Erlangen/Germany: Bursaries and Awards available! (Mon Aug 06 2001 - 06:04:51 PDT)
Jake Isaacs
- computing order parameters from an MD trajectory (Mon Aug 27 2001 - 07:45:58 PDT)
Jarrod Smith
- Re: Linux-cluster performance (Wed Aug 15 2001 - 10:23:09 PDT)
Jerry wu
- SPC water (Fri Aug 31 2001 - 07:01:32 PDT)
- polarization (Fri Aug 17 2001 - 02:29:07 PDT)
Jie Guo
- question (Thu Aug 30 2001 - 10:58:37 PDT)
jim caldwell
- reflector back on. (Tue Aug 14 2001 - 12:30:19 PDT)
Joseph Nachman
- residue numbering in dimers and trimers (Thu Aug 30 2001 - 09:41:48 PDT)
Jung-Hsing Lin
- Re: Error message (Thu Aug 23 2001 - 10:54:27 PDT)
- Re: Utilizing Amber6 on Linux Cluster (Wed Aug 22 2001 - 10:49:25 PDT)
Kevin Van Workum
- L-J mixing rules? (Mon Aug 27 2001 - 09:10:24 PDT)
Marcela Madrid
- adding atoms and amino acid residues (Mon Aug 20 2001 - 14:52:31 PDT)
Margaret Cheung
- Re: Utilizing Amber6 on Linux Cluster (Wed Aug 22 2001 - 10:23:40 PDT)
- changing the g77 optimization for compiling sander_classic (Mon Aug 20 2001 - 17:25:41 PDT)
- changing the g77 optimization for compiling sander_classic (Mon Aug 20 2001 - 13:08:30 PDT)
Michal Otyepka
- free energy contribution of selected atoms vs. MM-PB/GBSA (Fri Aug 17 2001 - 04:25:55 PDT)
Omer Katzenelson
- CARNAL (Tue Aug 21 2001 - 18:27:54 PDT)
- Re: adding atoms and amino acid residues (Tue Aug 21 2001 - 14:25:31 PDT)
Peter Varnai
- shake tricks? (Thu Aug 30 2001 - 06:57:00 PDT)
PRADIPTA Bandyopadhyay
- Leap and parm/pert! (Mon Aug 06 2001 - 16:45:00 PDT)
- Gibbs and cutoff! (Sat Aug 04 2001 - 15:23:30 PDT)
Raik Grunberg
- Re: adding atoms and amino acid residues (Tue Aug 21 2001 - 01:20:50 PDT)
- varying cartesian restraint (Sun Aug 05 2001 - 02:48:28 PDT)
Rozita Dara
- ... error message (Thu Aug 23 2001 - 12:14:07 PDT)
- Error message (Thu Aug 23 2001 - 10:46:12 PDT)
- Error message (Thu Aug 23 2001 - 08:59:57 PDT)
- Analysising the results (Wed Aug 22 2001 - 13:03:28 PDT)
- problem using xleap and tleap (Wed Aug 22 2001 - 10:13:08 PDT)
samantha hughes
- Re: residue numbering in dimers and trimers (Fri Aug 31 2001 - 00:43:55 PDT)
Sanjeev B.S.
- NPT restart problem (Fri Aug 31 2001 - 06:19:48 PDT)
- NPT restart problem (Fri Aug 31 2001 - 03:16:37 PDT)
- Mystery protons! (Sun Aug 26 2001 - 05:03:11 PDT)
- Re: Utilizing Amber6 on Linux Cluster (Wed Aug 22 2001 - 22:31:58 PDT)
- Re: AMBER6 on IBMSP3 (again) (Fri Aug 17 2001 - 01:10:11 PDT)
- Re: AMBER6 on IBMSP3 (again) (Fri Aug 17 2001 - 00:06:11 PDT)
- Re: AMBER6 on IBMSP3 (again) (Thu Aug 16 2001 - 13:10:04 PDT)
sara nunez
- Gibbs (Fri Aug 17 2001 - 08:50:25 PDT)
Scott E. Boesch
- Utilizing Amber6 on Linux Cluster (Wed Aug 22 2001 - 07:24:42 PDT)
Shixiang Yan
- density in equilibration? (Tue Aug 21 2001 - 09:38:35 PDT)
Sophia Kondratova
- defining states in Gibbs (Wed Aug 22 2001 - 12:39:35 PDT)
sxzheng
- How to deal with the little molcule? (Fri Aug 24 2001 - 07:48:22 PDT)
- Can amber calculate the gibbs perturb energy when a ligand added a group (Mon Aug 06 2001 - 20:26:13 PDT)
Thomas Cheatham
- Re: ptraj (Thu Aug 23 2001 - 09:36:51 PDT)
tianxiao young
- box size (Wed Aug 15 2001 - 21:31:40 PDT)
Troy Wymore
- ptraj (Thu Aug 23 2001 - 08:30:23 PDT)
Tru Huynh
- dual K7 (was Re: Linux-cluster performance) (Mon Aug 20 2001 - 12:09:18 PDT)
Xavier Deupi
- ntc in sander6 (Sat Aug 25 2001 - 05:08:12 PDT)
- summary: AMBER6 on IBMSP3 (Fri Aug 24 2001 - 00:04:19 PDT)
- AMBER6 on IBMSP3 (again) (Fri Aug 17 2001 - 08:03:36 PDT)
Xiaolin Chuang
- (no subject) (Thu Aug 23 2001 - 09:00:49 PDT)