AMBER Archive (2001) - Oct 2001 By DateMost recent messages
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Starting: Mon Oct 01 2001 - 10:17:17 CDT
Ending: Wed Oct 31 2001 - 14:57:43 CST
- Re: LINMIN Failure Michael Jakusch (Mon Oct 01 2001 - 10:17:17 CDT)
- Possible error in AMBER parm94 file? John D. Chodera (Mon Oct 01 2001 - 19:01:37 CDT)
- GB and Ions, 2nd try Andreas Svrcek-Seiler (Tue Oct 02 2001 - 10:43:39 CDT)
- prowat test difficulties C. Singer (Tue Oct 02 2001 - 13:37:39 CDT)
- RE: Binary mdcrd Halima Amer (Wed Oct 03 2001 - 01:43:41 CDT)
- Re: problem with ambpdb Bill Ross (Wed Oct 03 2001 - 03:16:23 CDT)
- Temperature and pressure couplings Filip Lankas (Wed Oct 03 2001 - 10:38:56 CDT)
- Re: Temperature and pressure couplings David Case (Wed Oct 03 2001 - 10:57:33 CDT)
- NAN errors during production runs Oliver Zerbe (Wed Oct 03 2001 - 11:45:10 CDT)
- ?s: Xeon vs. Athlon, latency R. M. Fesinmeyer (Wed Oct 03 2001 - 22:36:38 CDT)
- RE: Xeon vs. Athlon, latency Yong Duan (Thu Oct 04 2001 - 12:19:29 CDT)
- Re: ?s: Xeon vs. Athlon, latency Stephane (Fri Oct 05 2001 - 03:34:15 CDT)
- post-processing of energy analysis Katherine Wallis Abold (Sun Oct 07 2001 - 15:58:30 CDT)
- [Fwd: ?s: Xeon vs. Athlon, latency] Stephane (Mon Oct 08 2001 - 02:43:24 CDT)
- NPSCAL parameter Nikolai Smolin (Mon Oct 08 2001 - 06:20:24 CDT)
- Amber 6 MDCRD Files > 2GB in 32 bit Linux. Ross Walker (Mon Oct 08 2001 - 06:49:14 CDT)
- analysis problem Eoin Galligan (Mon Oct 08 2001 - 08:12:22 CDT)
- Re: NPSCAL parameter Bill Ross (Mon Oct 08 2001 - 10:36:10 CDT)
- Re: ?s: Xeon vs. Athlon, latency R. M. Fesinmeyer (Mon Oct 08 2001 - 12:15:39 CDT)
- RESP charges Eva Darian (Mon Oct 08 2001 - 16:44:16 CDT)
- Code modification. John Finke (Mon Oct 08 2001 - 18:16:44 CDT)
- Re: RESP charges Lepsa (Tue Oct 09 2001 - 02:56:49 CDT)
- RESP charges (correction) Eva Darian (Tue Oct 09 2001 - 10:54:49 CDT)
- ISTAR option and performance Anton B. Guliaev (Tue Oct 09 2001 - 12:39:10 CDT)
- Re: ISTAR option and performance Jarrod Smith (Tue Oct 09 2001 - 13:30:22 CDT)
- Re: RESP charges (correction) Lepsa (Wed Oct 10 2001 - 02:15:53 CDT)
- MM-PBSA; E(internal) Michal Otyepka (Wed Oct 10 2001 - 11:58:19 CDT)
- P4 benchmarks posted Robert Matthew Fesinmeyer (Thu Oct 11 2001 - 15:10:14 CDT)
- 5-methyl deoxycytosine parameters Jake Isaacs (Fri Oct 12 2001 - 08:13:59 CDT)
- parameters Didier Rognan (Fri Oct 12 2001 - 11:12:37 CDT)
- energy decomposition Elizabeth K. White (Sat Oct 13 2001 - 08:51:40 CDT)
- re: energy decomposition Bill Ross (Sat Oct 13 2001 - 14:10:18 CDT)
- trajectory analysis Sue Heavner (Sat Oct 13 2001 - 14:26:41 CDT)
- Re: trajectory analysis Bill Ross (Sat Oct 13 2001 - 14:50:04 CDT)
- adding water Rozita Dara (Sat Oct 13 2001 - 21:40:22 CDT)
- Re: adding water Bill Ross (Sat Oct 13 2001 - 23:44:47 CDT)
- Re: Can amber calculate the gibbs perturb energy when a ligand added a group Bill Ross (Sat Oct 13 2001 - 23:50:14 CDT)
- torsional profile with MD Giulio Rastelli (Mon Oct 15 2001 - 11:17:34 CDT)
- Re: torsional profile with MD Bill Ross (Mon Oct 15 2001 - 12:12:21 CDT)
- Re: torsional profile with MD Bill Ross (Mon Oct 15 2001 - 12:17:12 CDT)
- ANAL Elizabeth K. White (Mon Oct 15 2001 - 12:45:18 CDT)
- Re: ANAL Bill Ross (Mon Oct 15 2001 - 13:17:23 CDT)
- problem in a short MD with protein fixed dwang (Tue Oct 16 2001 - 20:00:26 CDT)
- Amber6 on SuSE Linux Toshikazu Matsuoka (Wed Oct 17 2001 - 03:56:49 CDT)
- distribution of Na+ around DNA Xiaolin Chuang (Wed Oct 17 2001 - 07:04:54 CDT)
- image command of ptraj Xiaolin Chuang (Wed Oct 17 2001 - 07:22:20 CDT)
- iwrap Xiaolin Chuang (Wed Oct 17 2001 - 07:27:39 CDT)
- help seema namboori (Wed Oct 17 2001 - 08:50:53 CDT)
- Re: distribution of Na+ around DNA Bill Ross (Wed Oct 17 2001 - 09:32:02 CDT)
- Re: Amber6 on SuSE Linux jim caldwell (Wed Oct 17 2001 - 12:00:06 CDT)
- Re: problem in a short MD with protein fixed Michael G Cooney (Wed Oct 17 2001 - 13:52:30 CDT)
- possible bug in carnal in AMBER5 Michael G Cooney (Wed Oct 17 2001 - 16:00:01 CDT)
- Re: possible bug in carnal in AMBER5 Bill Ross (Wed Oct 17 2001 - 16:09:00 CDT)
- Drivers to support Stereo Viewing in VMD etc using Standard GeForce Cards Ross Walker (Thu Oct 18 2001 - 09:00:48 CDT)
- torsional profile Giulio Rastelli (Thu Oct 18 2001 - 10:29:12 CDT)
- Re: Drivers to support Stereo Viewing in VMD etc using Standard GeForce Cards David Konerding (Thu Oct 18 2001 - 10:30:38 CDT)
- RE: Drivers to support Stereo Viewing in VMD etc using Standard GeForce Cards DeLano, Warren (Thu Oct 18 2001 - 11:48:53 CDT)
- Re: Aqvist LJ parameters Samantha (Thu Oct 18 2001 - 13:34:46 CDT)
- RE: Drivers to support Stereo Viewing in VMD etc using Standard GeForce Cards Ross Walker (Thu Oct 18 2001 - 14:29:56 CDT)
- Interface program installation Sophia Kondratova (Fri Oct 19 2001 - 12:25:19 CDT)
- Problem in GIBBS! PRADIPTA Bandyopadhyay (Fri Oct 19 2001 - 15:43:41 CDT)
- Re: Interface program installation David Pearlman (Fri Oct 19 2001 - 16:22:45 CDT)
- R: color in xleap Lorenzo Gontrani (Sat Oct 20 2001 - 15:21:07 CDT)
- color in xleap Soonmin Jang (Sat Oct 20 2001 - 21:35:30 CDT)
- h-bond energy Min Wu (Sun Oct 21 2001 - 09:07:15 CDT)
- generation of small organic molecules on xleap Soonmin Jang (Sun Oct 21 2001 - 18:55:17 CDT)
- Re: generation of small organic molecules on xleap Bill Ross (Sun Oct 21 2001 - 23:48:53 CDT)
- xleap: japanese keyboad Toshikazu Matsuoka (Mon Oct 22 2001 - 00:41:02 CDT)
- Err in equilibration run A.Madhumalar (Mon Oct 22 2001 - 01:22:09 CDT)
- Re: Err in equilibration run Bill Ross (Mon Oct 22 2001 - 02:03:38 CDT)
- DNA strands separated... Jithesh P.V. (Mon Oct 22 2001 - 02:07:09 CDT)
- question about implicit solvation model with AMBER Howard Feldman (Tue Oct 23 2001 - 09:55:36 CDT)
- substracting of MM nonbondeb potential from QM curve Michal Otyepka (Tue Oct 23 2001 - 12:24:44 CDT)
- Define flexible residues during MD simulation wentaofu (Tue Oct 23 2001 - 16:59:59 CDT)
- Re: Define flexible residues during MD simulation Bill Ross (Tue Oct 23 2001 - 23:14:35 CDT)
- Methane minimization using Interface Sophia Kondratova (Wed Oct 24 2001 - 09:17:36 CDT)
- param CT-CT-CT-OH Michal Otyepka (Wed Oct 24 2001 - 13:54:56 CDT)
- roar-cp crashed Yuguang Mu (Wed Oct 24 2001 - 16:25:38 CDT)
- how to add Zn Ca parameters Xin Hu (Wed Oct 24 2001 - 18:08:51 CDT)
- Re: how to add Zn Ca parameters Bill Ross (Wed Oct 24 2001 - 19:04:58 CDT)
- NSCM setting to remove center of mass motion Michael G Cooney (Thu Oct 25 2001 - 11:52:09 CDT)
- Maxwell-Boltzmann distribution of velocities Marcela Madrid (Thu Oct 25 2001 - 14:23:08 CDT)
- belly with GB term Tomoshi Kameda (Thu Oct 25 2001 - 14:54:22 CDT)
- Re: how to add Zn Ca parameters Eva Darian (Thu Oct 25 2001 - 16:29:50 CDT)
- Need some help with Amber/Linux John Nicholas (Thu Oct 25 2001 - 16:42:52 CDT)
- Re: Need some help with Amber/Linux David Pearlman (Thu Oct 25 2001 - 20:04:23 CDT)
- Re: NSCM setting to remove center of mass motion Sanjeev B.S. (Thu Oct 25 2001 - 22:44:41 CDT)
- unusual parameters pascal bonnet (Fri Oct 26 2001 - 03:06:26 CDT)
- Re: Maxwell-Boltzmann distribution of velocities Andreas Svrcek-Seiler (Fri Oct 26 2001 - 05:46:36 CDT)
- Xleap, PDB file format Sophia Kondratova (Fri Oct 26 2001 - 10:00:26 CDT)
- Re: Xleap, PDB file format Jarrod Smith (Fri Oct 26 2001 - 10:12:49 CDT)
- MAX_RSTACK Dr David R V Buckley (Fri Oct 26 2001 - 10:44:02 CDT)
- Re: Xleap, PDB file format David Case (Fri Oct 26 2001 - 10:59:14 CDT)
- Re: Need some help with Amber/Linux John Nicholas (Fri Oct 26 2001 - 11:19:11 CDT)
- Re: Xleap, PDB file format Bill Ross (Fri Oct 26 2001 - 11:31:16 CDT)
- RESP charges! PRADIPTA Bandyopadhyay (Fri Oct 26 2001 - 15:24:45 CDT)
- Re: (no subject) Bill Ross (Fri Oct 26 2001 - 17:51:36 CDT)
- help for restrained minimization xin.hu_at_ndsu.nodak.edu (Fri Oct 26 2001 - 23:10:19 CDT)
- Err in equilibration run A.Madhumalar (Sun Oct 28 2001 - 04:02:55 CST)
- Re: help for restrained minimization Stephane (Mon Oct 29 2001 - 02:39:21 CST)
- Re: help for restrained minimization Bill Ross (Mon Oct 29 2001 - 03:32:16 CST)
- Interface and Sander_classic Sophia Kondratova (Tue Oct 30 2001 - 07:06:03 CST)
- NFFT Hungie Hungie (Tue Oct 30 2001 - 08:43:48 CST)
- How to turn off PME? Hungie Hungie (Tue Oct 30 2001 - 09:49:45 CST)
- Re: NFFT Michael Crowley (Tue Oct 30 2001 - 10:24:38 CST)
- Re: NFFT darden (Tue Oct 30 2001 - 12:03:22 CST)
- Re: Interface and Sander_classic David Pearlman (Tue Oct 30 2001 - 12:34:31 CST)
- IMPORTANT Amber mail list announcement jim caldwell (Tue Oct 30 2001 - 13:44:48 CST)
- Re: Interface and Sander_classic David Pearlman (Tue Oct 30 2001 - 14:13:42 CST)
- what should change in the parameter? backy_at_ibms.sinica.edu.tw (Wed Oct 31 2001 - 03:52:10 CST)
- NPT to NVE ensemble Hungie Hungie (Wed Oct 31 2001 - 07:31:20 CST)
- charges for non-standard AAs Uwe Richter (Wed Oct 31 2001 - 07:46:15 CST)
- Re: RESP charges (correction) Lepsa (Wed Oct 31 2001 - 10:01:30 CST)
- sander_classic wentaofu (Wed Oct 31 2001 - 13:57:07 CST)
- Re: sander_classic Carlos Simmerling (Wed Oct 31 2001 - 14:57:43 CST)
Last message date: Sun Dec 30 2001 - 21:24:17 CST
Archived on: Thu May 05 2005 - 14:17:16 CDT
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