AMBER Archive (2002) - Jun 2002 By DateMost recent messages
156 messages sorted by:
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About this archive
Starting: Sun Jun 02 2002 - 22:29:38 CDT
Ending: Sun Jun 30 2002 - 17:40:39 CDT
- Problem with Gibbs 2D run Asif Rahaman (Sun Jun 02 2002 - 22:29:38 CDT)
- Re: Intel ifc Compiler Joachim Reichelt (Mon Jun 03 2002 - 01:51:54 CDT)
- (no subject) Ishita sharma (Mon Jun 03 2002 - 06:07:38 CDT)
- Re: mm_pbsa in parallel system David Case (Mon Jun 03 2002 - 09:49:08 CDT)
- Parallel Amber on Solaris 2.6 Thomas A. Spraggins (Mon Jun 03 2002 - 09:49:45 CDT)
- Re: mm_pbsa in parallel system (fwd) Jianhui Wu (Mon Jun 03 2002 - 11:03:12 CDT)
- Re: Parallel Amber on Solaris 2.6 William Gropp (Mon Jun 03 2002 - 14:20:26 CDT)
- Clarification R.Sathyapriya (Tue Jun 04 2002 - 02:45:19 CDT)
- Re: SHAKE troubles Arvid Soederhaell (Tue Jun 04 2002 - 03:22:40 CDT)
- Amber PGF77 comilation error + MPICH problem Fabrice Yerly (Wed Jun 05 2002 - 03:31:26 CDT)
- Parameters for hexachloroethane Bjorn-Olav Brandsdal (Wed Jun 05 2002 - 04:13:54 CDT)
- Machine_file for Hitachi SR8000 A. Hungie (Wed Jun 05 2002 - 06:09:03 CDT)
- PME box ? Yi ming Cheng (Wed Jun 05 2002 - 07:11:15 CDT)
- Re: PME box ? David Smith (Wed Jun 05 2002 - 09:15:44 CDT)
- reference Marcela Madrid (Wed Jun 05 2002 - 10:48:55 CDT)
- Question TL Poulos (Wed Jun 05 2002 - 10:49:10 CDT)
- Re: PME box ? Long Hai (Wed Jun 05 2002 - 11:07:29 CDT)
- Amber7, sander, restart, blast up Jianhui Wu (Wed Jun 05 2002 - 12:07:51 CDT)
- Running amber7 and nab on FreeBSD bdodson_at_scms.utmb.EDU (Wed Jun 05 2002 - 15:31:24 CDT)
- cap water eric hu (Wed Jun 05 2002 - 19:14:10 CDT)
- Re: Intel Kernel Math Library case (Thu Jun 06 2002 - 10:02:25 CDT)
- Intel Kernel Math Library Joffre Heredia (Thu Jun 06 2002 - 14:46:32 CDT)
- Mac OS X compiliation? Randy M. Wadkins (Thu Jun 06 2002 - 16:58:18 CDT)
- amber on MAC OSX case (Thu Jun 06 2002 - 19:22:44 CDT)
- analysis of Gibbs 2D run Asif Rahaman (Thu Jun 06 2002 - 23:46:34 CDT)
- no mdcrd, no mden file Arvid Soederhaell (Fri Jun 07 2002 - 06:43:30 CDT)
- benchmark for Amber7 A. Hungie (Fri Jun 07 2002 - 09:37:07 CDT)
- charges for peptides Marcela Madrid (Fri Jun 07 2002 - 10:14:59 CDT)
- Re: cap water eric hu (Fri Jun 07 2002 - 13:39:22 CDT)
- Re: amber on MAC OSX Randy M. Wadkins (Fri Jun 07 2002 - 14:29:58 CDT)
- Re: Suggestion to Bill and Case Bill Ross (Fri Jun 07 2002 - 15:16:30 CDT)
- Suggestion to Bill and Case William Wei (Fri Jun 07 2002 - 15:49:10 CDT)
- model molecules for getting charges of DNA Jiyoung Heo (Sat Jun 08 2002 - 19:20:10 CDT)
- Re: model molecules for getting charges of DNA Qing Zhang (Sun Jun 09 2002 - 14:47:04 CDT)
- C=C=C bending parameters Jones de Andrade (Sun Jun 09 2002 - 15:55:33 CDT)
- cold belly run error eric hu (Sun Jun 09 2002 - 17:55:47 CDT)
- (no subject) Snyder, James (Sun Jun 09 2002 - 19:45:03 CDT)
- Re: amber on MAC OSX Tru (Mon Jun 10 2002 - 04:18:03 CDT)
- RE: xaLeap make fails on AIX Thomas A. Spraggins (Mon Jun 10 2002 - 11:13:01 CDT)
- Re:xaLeap make fails on AIX Bill Ross (Mon Jun 10 2002 - 13:19:47 CDT)
- entropy calculation X. Tan (Mon Jun 10 2002 - 18:42:59 CDT)
- Re: cold belly run error Asim Okur (Mon Jun 10 2002 - 23:58:30 CDT)
- Re: Floating Invalid Bill Ross (Tue Jun 11 2002 - 00:36:16 CDT)
- Reorder water in amber7 Peter Varnai (Tue Jun 11 2002 - 03:38:32 CDT)
- Re: Reorder water in amber7 Carlos Simmerling (Tue Jun 11 2002 - 06:36:04 CDT)
- Amber protein-ion problem Emma.Sigfridsson_at_astrazeneca.com (Tue Jun 11 2002 - 06:41:29 CDT)
- RE: Reorder water in amber7 case (Tue Jun 11 2002 - 08:53:59 CDT)
- RE: entropy calculation case (Tue Jun 11 2002 - 08:56:37 CDT)
- Re: Floating Invalid jim caldwell (Tue Jun 11 2002 - 09:43:49 CDT)
- minimization probs Amesh Patel (Tue Jun 11 2002 - 10:57:12 CDT)
- Re: Reorder water in amber7 Peter VARNAI (Tue Jun 11 2002 - 12:16:00 CDT)
- RE: minimization probs case (Tue Jun 11 2002 - 12:36:57 CDT)
- Re: cold belly run error eric hu (Tue Jun 11 2002 - 12:41:47 CDT)
- Protonated database Andrew Petersen (Tue Jun 11 2002 - 14:12:28 CDT)
- Re: cold belly run error eric hu (Tue Jun 11 2002 - 14:42:19 CDT)
- sander input for a newbie Randy M. Wadkins (Tue Jun 11 2002 - 18:21:22 CDT)
- test of mm_pbsa Yongjun Jiang (Tue Jun 11 2002 - 22:08:23 CDT)
- igb problem in sander Emma.Sigfridsson_at_astrazeneca.com (Wed Jun 12 2002 - 04:11:20 CDT)
- vlimit exceeded A. Hungie (Wed Jun 12 2002 - 04:49:44 CDT)
- perturbed type DH not found Mao Xiang (Wed Jun 12 2002 - 05:47:19 CDT)
- Re: vlimit exceeded Carlos Simmerling (Wed Jun 12 2002 - 06:42:14 CDT)
- Re: sander input for a newbie Randy M. Wadkins (Wed Jun 12 2002 - 08:04:55 CDT)
- Application of Amber Monica (Wed Jun 12 2002 - 10:24:49 CDT)
- Re: vlimit exceeded Thomas Cheatham (Wed Jun 12 2002 - 14:35:53 CDT)
- sander parallel eric hu (Wed Jun 12 2002 - 16:11:24 CDT)
- RE: Floating Invalid lifang xu (Wed Jun 12 2002 - 22:02:21 CDT)
- Re: sander parallel Joffre Heredia (Thu Jun 13 2002 - 12:39:55 CDT)
- How to set the dielctric constant equals 1, when running MD simulations in real solvent water? Ling Zhang (Thu Jun 13 2002 - 15:54:53 CDT)
- The atom number mismatch in coord and topology file. Ling Zhang (Thu Jun 13 2002 - 16:41:08 CDT)
- Re: sander parallel eric hu (Thu Jun 13 2002 - 17:05:13 CDT)
- Re: The atom number mismatch in coord and topology file. Carlos Simmerling (Thu Jun 13 2002 - 17:27:38 CDT)
- Using TIP4P water S. Yamasaki (Thu Jun 13 2002 - 20:05:48 CDT)
- (no subject) Christian.Pilger_at_bc.boehringer-ingelheim.com (Fri Jun 14 2002 - 00:30:15 CDT)
- Re: sander parallel Stéphane Teletchéa (Fri Jun 14 2002 - 03:58:53 CDT)
- Periodic water box Rudesh Toofanny (Fri Jun 14 2002 - 07:41:01 CDT)
- The atom number mismatch in coord and topology file in AMBER6. Ling Zhang (Fri Jun 14 2002 - 09:58:45 CDT)
- Re: The atom number mismatch in coord and topology file in AMBER6. Robert Duke (Fri Jun 14 2002 - 11:27:00 CDT)
- tleap error for systems with 64-bit pointers Karen Haskell (Fri Jun 14 2002 - 14:55:16 CDT)
- free energy for binding Qing Zhang (Fri Jun 14 2002 - 17:50:54 CDT)
- how to keep aromatic ring flat Qing Zhang (Fri Jun 14 2002 - 18:00:51 CDT)
- Re: how to keep aromatic ring flat Bill Ross (Fri Jun 14 2002 - 18:34:42 CDT)
- Amber tutorial rino ragno (Sat Jun 15 2002 - 04:53:53 CDT)
- Mn parameters!!! navjot_at_bioinfo.ernet.in (Mon Jun 17 2002 - 04:19:12 CDT)
- (no subject) Christian.Pilger_at_bc.boehringer-ingelheim.com (Mon Jun 17 2002 - 05:09:11 CDT)
- remove COM velocity in Amber7 Peter VARNAI (Mon Jun 17 2002 - 07:16:27 CDT)
- WG: Christian.Pilger_at_bc.boehringer-ingelheim.com (Tue Jun 18 2002 - 00:48:01 CDT)
- question Craig A Bayse (Tue Jun 18 2002 - 17:04:47 CDT)
- Re: question jim caldwell (Tue Jun 18 2002 - 17:52:19 CDT)
- propeller twist of ideal B-DNA A. Hungie (Wed Jun 19 2002 - 11:37:29 CDT)
- solvated time-averaged restraint refinement of DNA Jake Isaacs (Wed Jun 19 2002 - 11:52:35 CDT)
- parameters for Zn2+ bond to CYS- X. Tan (Wed Jun 19 2002 - 19:23:16 CDT)
- Re: Periodic water box Thomas Cheatham (Wed Jun 19 2002 - 22:57:04 CDT)
- Re: remove COM velocity in Amber7 Peter VARNAI (Thu Jun 20 2002 - 07:03:07 CDT)
- re: parameters for zn2+ bond to cys- lamon_at_lav.Boehringer-Ingelheim.com (Thu Jun 20 2002 - 08:17:38 CDT)
- turning PME off in AMBER7 lamon_at_lav.Boehringer-Ingelheim.com (Thu Jun 20 2002 - 08:28:30 CDT)
- Re: turning PME off in AMBER7 Arvid Soederhaell (Thu Jun 20 2002 - 08:45:25 CDT)
- Re: turning PME off in AMBER7 David A. Case (Thu Jun 20 2002 - 08:49:33 CDT)
- bug in .../sander/egb.f ? Thomas A. Spraggins (Thu Jun 20 2002 - 12:45:28 CDT)
- RESP Multiconformer Fitting Miguel de Federico (Thu Jun 20 2002 - 18:05:11 CDT)
- van der Waals explosion Arvid Soederhaell (Fri Jun 21 2002 - 03:54:05 CDT)
- more van der Waals explosion Arvid Soederhaell (Fri Jun 21 2002 - 04:00:59 CDT)
- even more van der Waals explosion Arvid Soederhaell (Fri Jun 21 2002 - 04:23:17 CDT)
- j3 coupling Yuguang Mu (Fri Jun 21 2002 - 05:38:31 CDT)
- Re: j3 coupling David A. Case (Fri Jun 21 2002 - 09:49:40 CDT)
- Re: van der Waals explosion David A. Case (Fri Jun 21 2002 - 09:55:26 CDT)
- Compilation ov Amber 7 Dov Barak (Fri Jun 21 2002 - 11:40:58 CDT)
- taupt: time constant for heat bath coupling for the SOLUTE Qing Zhang (Fri Jun 21 2002 - 18:44:55 CDT)
- Re: taupt: time constant for heat bath coupling for the SOLUTE David A. Case (Fri Jun 21 2002 - 19:28:38 CDT)
- SHAKE... Arvid Soederhaell (Mon Jun 24 2002 - 06:25:05 CDT)
- Passing arguments with SP2 LoadLeveler Thomas A. Spraggins (Mon Jun 24 2002 - 09:41:26 CDT)
- New Residue Monica (Mon Jun 24 2002 - 10:01:42 CDT)
- ptraj problem Vlad Cojocaru (Mon Jun 24 2002 - 10:54:32 CDT)
- Re: ptraj problem Thomas Cheatham (Mon Jun 24 2002 - 12:24:30 CDT)
- Re: SHAKE (actually: new atom types) Bill Ross (Mon Jun 24 2002 - 14:22:02 CDT)
- antechamber charges don't sum up to zero Michael Jakusch (Mon Jun 24 2002 - 14:38:15 CDT)
- partial charges Osvaldo Santos-Filho (Mon Jun 24 2002 - 19:33:15 CDT)
- Re: partial charges Carlos Simmerling (Mon Jun 24 2002 - 20:38:35 CDT)
- Re: partial charges David A. Case (Mon Jun 24 2002 - 20:52:47 CDT)
- Query regarding Gamess Nitin Kumar Singh (Tue Jun 25 2002 - 10:23:09 CDT)
- plep question FyD (Wed Jun 26 2002 - 02:28:23 CDT)
- minimum image cut-off Nikolai Smolin (Wed Jun 26 2002 - 06:05:08 CDT)
- transferring structures Matt Hartings (Wed Jun 26 2002 - 12:24:23 CDT)
- Re: transferring structures Bill Ross (Wed Jun 26 2002 - 14:47:02 CDT)
- Re: transferring structures Matt Hartings (Wed Jun 26 2002 - 15:58:11 CDT)
- Using a trucated octahedral box in Amber6 Ling Zhang (Wed Jun 26 2002 - 20:28:46 CDT)
- Problem in amber Monica (Thu Jun 27 2002 - 00:28:21 CDT)
- xleap problem FyD (Thu Jun 27 2002 - 03:20:53 CDT)
- a problem with AMBER7 Vlad Cojocaru (Thu Jun 27 2002 - 05:12:58 CDT)
- dummy torsional parameters Giulio Rastelli (Thu Jun 27 2002 - 05:31:50 CDT)
- Re: Problem in amber David Case (Thu Jun 27 2002 - 09:38:30 CDT)
- Re: xleap problem David A. Case (Thu Jun 27 2002 - 10:33:16 CDT)
- Re: dummy torsional parameters David A. Case (Thu Jun 27 2002 - 10:38:49 CDT)
- problems compiling Amber 7 ramon kleber da rocha (Thu Jun 27 2002 - 12:18:50 CDT)
- mopac David.Rilett_at_astrazeneca.com (Thu Jun 27 2002 - 12:50:41 CDT)
- Re: problems compiling Amber 7 David A. Case (Thu Jun 27 2002 - 13:27:09 CDT)
- Re: mopac David A. Case (Thu Jun 27 2002 - 13:34:34 CDT)
- iwrap set in sander of Amber6 Ling Zhang (Thu Jun 27 2002 - 15:43:41 CDT)
- Re: Fwd: Re: probelms in install of amber (fwd) Marcelo Roitburd (Thu Jun 27 2002 - 15:59:35 CDT)
- Re: Fwd: Re: probelms in install of amber (fwd) Marcelo Roitburd (Thu Jun 27 2002 - 17:23:29 CDT)
- xmkmf: not found Bill Ross (Thu Jun 27 2002 - 17:29:08 CDT)
- Re: Fwd: Re: probelms in install of amber (fwd) Marcelo Roitburd (Thu Jun 27 2002 - 17:47:41 CDT)
- box size & 1st equilibrium yuann (Fri Jun 28 2002 - 01:16:51 CDT)
- Re: mopac Pascal Bonnet (Fri Jun 28 2002 - 03:49:11 CDT)
- EWALD BOMB (The system has extended beyond ...) Michael Jakusch (Fri Jun 28 2002 - 04:17:20 CDT)
- Re: box size & 1st equilibrium Carlos Simmerling (Fri Jun 28 2002 - 06:56:09 CDT)
- Re: error in rMD Guanglei Cui (Fri Jun 28 2002 - 08:22:35 CDT)
- error in rMD Monica (Fri Jun 28 2002 - 08:35:34 CDT)
- The crystal water is solute or solvent during solvation Ling Zhang (Fri Jun 28 2002 - 13:58:08 CDT)
- Zn/Mg Counterion placement around DNA mdk7p_at_cms.mail.virginia.edu (Fri Jun 28 2002 - 14:46:11 CDT)
- Interaction table from minimization kiyean.nam_at_pharma.novartis.com (Fri Jun 28 2002 - 16:40:59 CDT)
- van der Waals, hydrogen bond energy Qing Zhang (Fri Jun 28 2002 - 17:57:10 CDT)
- Re: van der Waals, hydrogen bond energy Carlos Simmerling (Fri Jun 28 2002 - 18:41:11 CDT)
- Re: van der Waals, hydrogen bond energy jim caldwell (Fri Jun 28 2002 - 19:24:21 CDT)
- Re: van der Waals, hydrogen bond energy Andreas Svrcek-Seiler (Sat Jun 29 2002 - 07:29:38 CDT)
- Re: Compilation ov Amber 7 Sanjeev B.S. (Sun Jun 30 2002 - 12:42:28 CDT)
- Analysis of LES simulation mer_at_chem.wayne.edu (Sun Jun 30 2002 - 17:40:39 CDT)
Last message date: Tue Dec 31 2002 - 15:51:31 CST
Archived on: Thu May 05 2005 - 14:17:26 CDT
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