Amber Archive Oct 2001: by author

A.Madhumalar
- Err in equilibration run (Sun Oct 28 2001 - 02:02:55 PST)
- Err in equilibration run (Sun Oct 21 2001 - 23:22:09 PDT)
Andreas Svrcek-Seiler
- Re: Maxwell-Boltzmann distribution of velocities (Fri Oct 26 2001 - 03:46:36 PDT)
- GB and Ions, 2nd try (Tue Oct 02 2001 - 08:43:39 PDT)
Anton B. Guliaev
- ISTAR option and performance (Tue Oct 09 2001 - 10:39:10 PDT)
backy_at_ibms.sinica.edu.tw
- what should change in the parameter? (Wed Oct 31 2001 - 01:52:10 PST)
Bill Ross
- Re: help for restrained minimization (Mon Oct 29 2001 - 01:32:16 PST)
- Re: (no subject) (Fri Oct 26 2001 - 15:51:36 PDT)
- Re: Xleap, PDB file format (Fri Oct 26 2001 - 09:31:16 PDT)
- Re: how to add Zn Ca parameters (Wed Oct 24 2001 - 17:04:58 PDT)
- Re: Define flexible residues during MD simulation (Tue Oct 23 2001 - 21:14:35 PDT)
- Re: Err in equilibration run (Mon Oct 22 2001 - 00:03:38 PDT)
- Re: generation of small organic molecules on xleap (Sun Oct 21 2001 - 21:48:53 PDT)
- Re: possible bug in carnal in AMBER5 (Wed Oct 17 2001 - 14:09:00 PDT)
- Re: distribution of Na+ around DNA (Wed Oct 17 2001 - 07:32:02 PDT)
- Re: ANAL (Mon Oct 15 2001 - 11:17:23 PDT)
- Re: torsional profile with MD (Mon Oct 15 2001 - 10:17:12 PDT)
- Re: torsional profile with MD (Mon Oct 15 2001 - 10:12:21 PDT)
- Re: Can amber calculate the gibbs perturb energy when a ligand added a group (Sat Oct 13 2001 - 21:50:14 PDT)
- Re: adding water (Sat Oct 13 2001 - 21:44:47 PDT)
- Re: trajectory analysis (Sat Oct 13 2001 - 12:50:04 PDT)
- re: energy decomposition (Sat Oct 13 2001 - 12:10:18 PDT)
- Re: NPSCAL parameter (Mon Oct 08 2001 - 08:36:10 PDT)
- Re: problem with ambpdb (Wed Oct 03 2001 - 01:16:23 PDT)
C. Singer
- prowat test difficulties (Tue Oct 02 2001 - 11:37:39 PDT)
Carlos Simmerling
- Re: sander_classic (Wed Oct 31 2001 - 12:57:43 PST)
darden
- Re: NFFT (Tue Oct 30 2001 - 10:03:22 PST)
David Case
- Re: Xleap, PDB file format (Fri Oct 26 2001 - 08:59:14 PDT)
- Re: Temperature and pressure couplings (Wed Oct 03 2001 - 08:57:33 PDT)
David Konerding
- Re: Drivers to support Stereo Viewing in VMD etc using Standard GeForce Cards (Thu Oct 18 2001 - 08:30:38 PDT)
David Pearlman
- Re: Interface and Sander_classic (Tue Oct 30 2001 - 12:13:42 PST)
- Re: Interface and Sander_classic (Tue Oct 30 2001 - 10:34:31 PST)
- Re: Need some help with Amber/Linux (Thu Oct 25 2001 - 18:04:23 PDT)
- Re: Interface program installation (Fri Oct 19 2001 - 14:22:45 PDT)
DeLano, Warren
- RE: Drivers to support Stereo Viewing in VMD etc using Standard GeForce Cards (Thu Oct 18 2001 - 09:48:53 PDT)
Didier Rognan
- parameters (Fri Oct 12 2001 - 09:12:37 PDT)
Dr David R V Buckley
- MAX_RSTACK (Fri Oct 26 2001 - 10:44:02 PDT)
dwang
- problem in a short MD with protein fixed (Tue Oct 16 2001 - 18:00:26 PDT)
Elizabeth K. White
- ANAL (Mon Oct 15 2001 - 10:45:18 PDT)
- energy decomposition (Sat Oct 13 2001 - 06:51:40 PDT)
Eoin Galligan
- analysis problem (Mon Oct 08 2001 - 06:12:22 PDT)
Eva Darian
- Re: how to add Zn Ca parameters (Thu Oct 25 2001 - 14:29:50 PDT)
- RESP charges (correction) (Tue Oct 09 2001 - 08:54:49 PDT)
- RESP charges (Mon Oct 08 2001 - 14:44:16 PDT)
Filip Lankas
- Temperature and pressure couplings (Wed Oct 03 2001 - 08:38:56 PDT)
Giulio Rastelli
- torsional profile (Thu Oct 18 2001 - 08:29:12 PDT)
- torsional profile with MD (Mon Oct 15 2001 - 09:17:34 PDT)
Halima Amer
- RE: Binary mdcrd (Tue Oct 02 2001 - 23:43:41 PDT)
Howard Feldman
- question about implicit solvation model with AMBER (Tue Oct 23 2001 - 07:55:36 PDT)
Hungie Hungie
- NPT to NVE ensemble (Wed Oct 31 2001 - 05:31:20 PST)
- How to turn off PME? (Tue Oct 30 2001 - 07:49:45 PST)
- NFFT (Tue Oct 30 2001 - 06:43:48 PST)
Jake Isaacs
- 5-methyl deoxycytosine parameters (Fri Oct 12 2001 - 06:13:59 PDT)
Jarrod Smith
- Re: Xleap, PDB file format (Fri Oct 26 2001 - 08:12:49 PDT)
- Re: ISTAR option and performance (Tue Oct 09 2001 - 11:30:22 PDT)
jim caldwell
- IMPORTANT Amber mail list announcement (Tue Oct 30 2001 - 11:44:48 PST)
- Re: Amber6 on SuSE Linux (Wed Oct 17 2001 - 10:00:06 PDT)
Jithesh P.V.
- DNA strands separated... (Mon Oct 22 2001 - 00:07:09 PDT)
John D. Chodera
- Possible error in AMBER parm94 file? (Mon Oct 01 2001 - 17:01:37 PDT)
John Finke
- Code modification. (Mon Oct 08 2001 - 16:16:44 PDT)
John Nicholas
- Re: Need some help with Amber/Linux (Fri Oct 26 2001 - 09:19:11 PDT)
- Need some help with Amber/Linux (Thu Oct 25 2001 - 14:42:52 PDT)
Katherine Wallis Abold
- post-processing of energy analysis (Sun Oct 07 2001 - 13:58:30 PDT)
Lepsa
- Re: RESP charges (correction) (Wed Oct 31 2001 - 08:01:30 PST)
- Re: RESP charges (correction) (Wed Oct 10 2001 - 00:15:53 PDT)
- Re: RESP charges (Tue Oct 09 2001 - 00:56:49 PDT)
Lorenzo Gontrani
- R: color in xleap (Sat Oct 20 2001 - 13:21:07 PDT)
Marcela Madrid
- Maxwell-Boltzmann distribution of velocities (Thu Oct 25 2001 - 12:23:08 PDT)
Michael Crowley
- Re: NFFT (Tue Oct 30 2001 - 08:24:38 PST)
Michael G Cooney
- NSCM setting to remove center of mass motion (Thu Oct 25 2001 - 09:52:09 PDT)
- possible bug in carnal in AMBER5 (Wed Oct 17 2001 - 14:00:01 PDT)
- Re: problem in a short MD with protein fixed (Wed Oct 17 2001 - 11:52:30 PDT)
Michael Jakusch
- Re: LINMIN Failure (Mon Oct 01 2001 - 08:17:17 PDT)
Michal Otyepka
- param CT-CT-CT-OH (Wed Oct 24 2001 - 11:54:56 PDT)
- substracting of MM nonbondeb potential from QM curve (Tue Oct 23 2001 - 10:24:44 PDT)
- MM-PBSA; E(internal) (Wed Oct 10 2001 - 09:58:19 PDT)
Min Wu
- h-bond energy (Sun Oct 21 2001 - 07:07:15 PDT)
Nikolai Smolin
- NPSCAL parameter (Mon Oct 08 2001 - 04:20:24 PDT)
Oliver Zerbe
- NAN errors during production runs (Wed Oct 03 2001 - 09:45:10 PDT)
pascal bonnet
- unusual parameters (Fri Oct 26 2001 - 01:06:26 PDT)
PRADIPTA Bandyopadhyay
- RESP charges! (Fri Oct 26 2001 - 13:24:45 PDT)
- Problem in GIBBS! (Fri Oct 19 2001 - 13:43:41 PDT)
R. M. Fesinmeyer
- Re: ?s: Xeon vs. Athlon, latency (Mon Oct 08 2001 - 10:15:39 PDT)
- ?s: Xeon vs. Athlon, latency (Wed Oct 03 2001 - 20:36:38 PDT)
Robert Matthew Fesinmeyer
- P4 benchmarks posted (Thu Oct 11 2001 - 13:10:14 PDT)
Ross Walker
- RE: Drivers to support Stereo Viewing in VMD etc using Standard GeForce Cards (Thu Oct 18 2001 - 12:29:56 PDT)
- Drivers to support Stereo Viewing in VMD etc using Standard GeForce Cards (Thu Oct 18 2001 - 07:00:48 PDT)
- Amber 6 MDCRD Files > 2GB in 32 bit Linux. (Mon Oct 08 2001 - 04:49:14 PDT)
Rozita Dara
- adding water (Sat Oct 13 2001 - 19:40:22 PDT)
Samantha
- Re: Aqvist LJ parameters (Thu Oct 18 2001 - 11:34:46 PDT)
Sanjeev B.S.
- Re: NSCM setting to remove center of mass motion (Thu Oct 25 2001 - 20:44:41 PDT)
seema namboori
- help (Wed Oct 17 2001 - 06:50:53 PDT)
Soonmin Jang
- generation of small organic molecules on xleap (Sun Oct 21 2001 - 16:55:17 PDT)
- color in xleap (Sat Oct 20 2001 - 19:35:30 PDT)
Sophia Kondratova
- Interface and Sander_classic (Tue Oct 30 2001 - 05:06:03 PST)
- Xleap, PDB file format (Fri Oct 26 2001 - 08:00:26 PDT)
- Methane minimization using Interface (Wed Oct 24 2001 - 07:17:36 PDT)
- Interface program installation (Fri Oct 19 2001 - 10:25:19 PDT)
Stephane
- Re: help for restrained minimization (Mon Oct 29 2001 - 00:39:21 PST)
- [Fwd: ?s: Xeon vs. Athlon, latency] (Mon Oct 08 2001 - 00:43:24 PDT)
- Re: ?s: Xeon vs. Athlon, latency (Fri Oct 05 2001 - 01:34:15 PDT)
Sue Heavner
- trajectory analysis (Sat Oct 13 2001 - 12:26:41 PDT)
Tomoshi Kameda
- belly with GB term (Thu Oct 25 2001 - 12:54:22 PDT)
Toshikazu Matsuoka
- xleap: japanese keyboad (Sun Oct 21 2001 - 22:41:02 PDT)
- Amber6 on SuSE Linux (Wed Oct 17 2001 - 01:56:49 PDT)
Uwe Richter
- charges for non-standard AAs (Wed Oct 31 2001 - 05:46:15 PST)
wentaofu
- sander_classic (Wed Oct 31 2001 - 11:57:07 PST)
- Define flexible residues during MD simulation (Tue Oct 23 2001 - 14:59:59 PDT)
Xiaolin Chuang
- iwrap (Wed Oct 17 2001 - 05:27:39 PDT)
- image command of ptraj (Wed Oct 17 2001 - 05:22:20 PDT)
- distribution of Na+ around DNA (Wed Oct 17 2001 - 05:04:54 PDT)
Xin Hu
- how to add Zn Ca parameters (Wed Oct 24 2001 - 16:08:51 PDT)
xin.hu_at_ndsu.nodak.edu
- help for restrained minimization (Fri Oct 26 2001 - 21:10:19 PDT)
Yong Duan
- RE: Xeon vs. Athlon, latency (Thu Oct 04 2001 - 10:19:29 PDT)
Yuguang Mu
- roar-cp crashed (Wed Oct 24 2001 - 14:25:38 PDT)

Amber Archive Oct 2001 by author