AMBER Archive (2001) - Oct 2001 By Author

Starting: Mon Oct 01 2001 - 10:17:17 CDT
Ending: Wed Oct 31 2001 - 14:57:43 CST

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

Last message date: Sun Dec 30 2001 - 21:24:17 CST
Archived on: Thu May 05 2005 - 14:17:16 CDT