AMBER Archive (2002) - Sep 2002 By DateMost recent messages
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About this archive
Starting: Sun Sep 01 2002 - 13:32:08 CDT
Ending: Mon Sep 30 2002 - 19:34:28 CDT
- mpirun Ioana Cozmuta (Sun Sep 01 2002 - 13:32:08 CDT)
- additional info Ioana Cozmuta (Sun Sep 01 2002 - 13:44:32 CDT)
- RE: mpirun Ross Walker (Sun Sep 01 2002 - 17:36:24 CDT)
- Re: NTX value giudice (Mon Sep 02 2002 - 02:05:45 CDT)
- mm_pbsa positive binding energies Mathy Froeyen (Mon Sep 02 2002 - 04:11:34 CDT)
- MDaemon Warning - Virus Found postmaster_at_96com.com (Mon Sep 02 2002 - 05:12:42 CDT)
- MDaemon Warning - Virus Found postmaster_at_96com.com (Mon Sep 02 2002 - 06:25:18 CDT)
- carnal averaging Vlad Cojocaru (Mon Sep 02 2002 - 06:43:33 CDT)
- Re: mm_pbsa positive binding energies David A. Case (Mon Sep 02 2002 - 12:50:30 CDT)
- Re: carnal averaging Holger Gohlke (Mon Sep 02 2002 - 15:43:52 CDT)
- atoms coming too close during MD (with SHAKE on) Pratul Agarwal (Mon Sep 02 2002 - 20:01:18 CDT)
- Re: ES40 hangs amber7 jobs. Sanjeev B.S. (Mon Sep 02 2002 - 21:29:45 CDT)
- Re: protein minimization Lepsa (Tue Sep 03 2002 - 01:13:54 CDT)
- MDaemon Warning - Virus Found postmaster_at_96com.com (Tue Sep 03 2002 - 06:57:12 CDT)
- Re: protein minimization CUI, Guanglei (Tue Sep 03 2002 - 08:19:39 CDT)
- compile Moil-View, GL header files Jianhui Wu (Tue Sep 03 2002 - 10:20:09 CDT)
- protein minimization m.elizabeth sophia (Tue Sep 03 2002 - 11:01:35 CDT)
- Re: compile Moil-View, GL header files Viktor Hornak (Tue Sep 03 2002 - 11:12:22 CDT)
- Re: compile Moil-View, GL header files Renee olano (Tue Sep 03 2002 - 11:54:57 CDT)
- question Ioana Cozmuta (Tue Sep 03 2002 - 12:46:04 CDT)
- RE: PyMOL + AMBER Trajectories DeLano, Warren (Tue Sep 03 2002 - 12:51:57 CDT)
- MDaemon Warning - Virus Found postmaster_at_96com.com (Wed Sep 04 2002 - 05:40:26 CDT)
- Escaping Atoms ch cureton (Wed Sep 04 2002 - 05:43:03 CDT)
- old prmtop Thomas Steinbrecher (Wed Sep 04 2002 - 10:56:47 CDT)
- Re: old prmtop C. Klein (Wed Sep 04 2002 - 11:21:18 CDT)
- Re: old prmtop Holger Gohlke (Wed Sep 04 2002 - 11:21:32 CDT)
- Re: old prmtop Peter Gannett (Wed Sep 04 2002 - 13:10:56 CDT)
- how to detect bad contact? X. Tan (Wed Sep 04 2002 - 14:14:40 CDT)
- cut-off question Ioana Cozmuta (Wed Sep 04 2002 - 14:43:38 CDT)
- DNA Tutorial Script Joel Konkle-Parker (Wed Sep 04 2002 - 18:18:16 CDT)
- Re: DNA Tutorial Script Holger Gohlke (Wed Sep 04 2002 - 22:29:23 CDT)
- average structure Raja Swaminathan (Thu Sep 05 2002 - 12:16:03 CDT)
- RE: Escaping Atoms case (Thu Sep 05 2002 - 17:04:06 CDT)
- bondbydistance eric hu (Thu Sep 05 2002 - 18:20:43 CDT)
- MDaemon Warning - Virus Found postmaster_at_96com.com (Fri Sep 06 2002 - 06:13:47 CDT)
- group selection for all heavy atoms ? Raik Grunberg (Fri Sep 06 2002 - 11:23:33 CDT)
- compiling amber on a linux box using DMEM-ALLOC ramon kleber da rocha (Fri Sep 06 2002 - 15:46:43 CDT)
- Re: compiling amber on a linux box using DMEM-ALLOC Scott Brozell (Fri Sep 06 2002 - 17:01:27 CDT)
- Re: compiling amber on a linux box using DMEM-ALLOC Florian Barth (Fri Sep 06 2002 - 17:13:31 CDT)
- cut-off question Cozmuta (Fri Sep 06 2002 - 17:49:21 CDT)
- Re: compiling amber on a linux box using DMEM-ALLOC ramon kleber da rocha (Fri Sep 06 2002 - 18:11:55 CDT)
- Re: compiling amber on a linux box using DMEM-ALLOC John Bushnell (Fri Sep 06 2002 - 18:43:12 CDT)
- RE: cut-off question case (Fri Sep 06 2002 - 19:01:28 CDT)
- RE: bondbydistance case (Fri Sep 06 2002 - 19:04:02 CDT)
- Re: compiling amber on a linux box using DMEM-ALLOC Scott Brozell (Fri Sep 06 2002 - 19:16:40 CDT)
- Re: compiling amber on a linux box using DMEM-ALLOC James W. Caldwell (Fri Sep 06 2002 - 19:56:42 CDT)
- RE: bondbydistance Nicholson, James D Mr ARO (Sat Sep 07 2002 - 19:16:28 CDT)
- about amber and charmm, thanks Zhang Jian (Sun Sep 08 2002 - 04:10:57 CDT)
- who to address this to?... Jessica Swanson (Sun Sep 08 2002 - 17:59:23 CDT)
- Distace dependent dielectric constant Lorenzo Gontrani (Mon Sep 09 2002 - 03:33:43 CDT)
- parameterization of a new class of compounds (nucleic acid base analogues) Vlad Cojocaru (Mon Sep 09 2002 - 04:40:05 CDT)
- MDaemon Warning - Virus Found postmaster_at_96com.com (Mon Sep 09 2002 - 06:04:45 CDT)
- Re: who to address this to?... Holger Gohlke (Mon Sep 09 2002 - 11:25:00 CDT)
- Re: who to address this to?... Michael Crowley (Mon Sep 09 2002 - 12:41:16 CDT)
- amber7 compilation on irix6.4 mp K.Seshadri (Mon Sep 09 2002 - 12:44:13 CDT)
- How to check whether the trajectory file matches the coordinates file or not? Ling Zhang (Mon Sep 09 2002 - 13:31:13 CDT)
- Re: How to check whether the trajectory file matches the coordinates file or not? Shixiang Yan (Mon Sep 09 2002 - 13:53:04 CDT)
- RE: How to check whether the trajectory file matches the coordinates file or not? Kristina Furse (Mon Sep 09 2002 - 14:32:27 CDT)
- why are the results so large difference calculating by mm_pbsa and mm_gbsa? Yongjun Jiang (Tue Sep 10 2002 - 02:18:46 CDT)
- Strange MD simulation results with GB solvation at high temp. Soonmin Jang (Tue Sep 10 2002 - 05:09:06 CDT)
- Re: Strange MD simulation results with GB solvation at high temp. Carlos Simmerling (Tue Sep 10 2002 - 07:07:58 CDT)
- nmode compile question? Yongjun Jiang (Tue Sep 10 2002 - 07:46:18 CDT)
- GBSA and surface crystal waters Raik Grunberg (Tue Sep 10 2002 - 09:44:20 CDT)
- Re: Strange MD simulation results with GB solvation at high temp. Soonmin Jang (Tue Sep 10 2002 - 10:56:53 CDT)
- MDaemon Warning - Virus Found postmaster_at_96com.com (Tue Sep 10 2002 - 10:57:00 CDT)
- Re: nmode compile question? Holger Gohlke (Tue Sep 10 2002 - 11:17:24 CDT)
- Re: why are the results so large difference calculating by mm_pbsa and mm_gbsa? Holger Gohlke (Tue Sep 10 2002 - 11:26:07 CDT)
- Re: nmode compile question? James W. Caldwell (Tue Sep 10 2002 - 13:04:07 CDT)
- rdparm Joffre Heredia (Tue Sep 10 2002 - 13:07:26 CDT)
- loadpdb error messages Joel Konkle-Parker (Tue Sep 10 2002 - 17:58:07 CDT)
- Re: loadpdb error messages James W. Caldwell (Tue Sep 10 2002 - 18:49:48 CDT)
- Polarizability, a general question Michal Otyepka (Wed Sep 11 2002 - 03:56:32 CDT)
- memory allocation in mm_pbsa Giulio Rastelli (Wed Sep 11 2002 - 05:41:04 CDT)
- just a test Vlad Cojocaru (Wed Sep 11 2002 - 08:39:59 CDT)
- Re: memory allocation in mm_pbsa James W. Caldwell (Wed Sep 11 2002 - 10:26:19 CDT)
- Re: memory allocation in mm_pbsa Holger Gohlke (Wed Sep 11 2002 - 10:55:07 CDT)
- Problems during equilibration Pratul Agarwal (Wed Sep 11 2002 - 14:38:36 CDT)
- Re: Problems during equilibration Pratul Agarwal (Wed Sep 11 2002 - 15:14:05 CDT)
- Dual Processor AMD vs. Single Processor DeLano, Warren (Wed Sep 11 2002 - 19:34:47 CDT)
- Re: Strange MD simulation results with GB solvation at high temp. David A. Case (Wed Sep 11 2002 - 20:20:17 CDT)
- Re: Strange MD simulation results with GB solvation at high temp. Carlos Simmerling (Wed Sep 11 2002 - 21:04:44 CDT)
- Re: Problems during equilibration Pratul Agarwal (Wed Sep 11 2002 - 21:40:05 CDT)
- why are the results so large difference calculating by mm_pbsaandmm_gbsa? Yongjun Jiang (Thu Sep 12 2002 - 02:25:32 CDT)
- Re: Dual Processor AMD vs. Single Processor Stéphane Teletchéa (Thu Sep 12 2002 - 03:09:58 CDT)
- Qustion about calculation of pressure Nikolai Smolin (Thu Sep 12 2002 - 05:01:44 CDT)
- sorry this is just a test Vlad Cojocaru (Thu Sep 12 2002 - 10:23:24 CDT)
- leap and topology file Marcela Madrid (Thu Sep 12 2002 - 11:12:20 CDT)
- sander.LES questions Peter Varnai (Thu Sep 12 2002 - 11:27:12 CDT)
- Re: Qustion about calculation of pressure James W. Caldwell (Thu Sep 12 2002 - 11:43:25 CDT)
- Re: sander.LES questions Carlos Simmerling (Thu Sep 12 2002 - 12:24:25 CDT)
- large energy fluctration eric hu (Thu Sep 12 2002 - 13:05:10 CDT)
- the amino group of 2amino purine has strange behaviour Vlad Cojocaru (Thu Sep 12 2002 - 13:42:10 CDT)
- Re: large energy fluctration Carlos Simmerling (Thu Sep 12 2002 - 13:50:09 CDT)
- Re: Distace dependent dielectric constant David A. Case (Thu Sep 12 2002 - 17:39:35 CDT)
- Changing MAXINT Joel Konkle-Parker (Thu Sep 12 2002 - 18:21:13 CDT)
- binding site volume Shixiang Yan (Thu Sep 12 2002 - 18:38:41 CDT)
- problems on IBM AIX Giovanni Fossati (Thu Sep 12 2002 - 20:43:52 CDT)
- Re: Strange MD simulation results with GB solvation at high temp. Soonmin Jang (Fri Sep 13 2002 - 00:21:32 CDT)
- Re: binding site volume Michal Otyepka (Fri Sep 13 2002 - 02:13:08 CDT)
- MDaemon Warning - Virus Found postmaster_at_96com.com (Fri Sep 13 2002 - 08:10:40 CDT)
- MDaemon Warning - Virus Found postmaster_at_96com.com (Fri Sep 13 2002 - 08:13:22 CDT)
- Re: leap and topology file Lepsa (Fri Sep 13 2002 - 09:39:45 CDT)
- Re: problems on IBM AIX David A. Case (Fri Sep 13 2002 - 09:42:14 CDT)
- Re: problems on IBM AIX Carlos P. Sosa (Fri Sep 13 2002 - 10:47:31 CDT)
- Beowulf killing jobs Peter Gannett (Fri Sep 13 2002 - 16:03:19 CDT)
- Help using moilview to make animations of trajectories Nicholson, James D Mr ARO (Fri Sep 13 2002 - 17:15:33 CDT)
- Re: Changing MAXINT John Bushnell (Fri Sep 13 2002 - 17:38:52 CDT)
- D-tryptophan Perdita Barran (Sat Sep 14 2002 - 09:16:45 CDT)
- Re: D-tryptophan James W. Caldwell (Sat Sep 14 2002 - 10:21:42 CDT)
- amber K.Veluraja (Mon Sep 16 2002 - 00:14:04 CDT)
- amber question yao yong (Mon Sep 16 2002 - 06:03:16 CDT)
- RE: Changing MAXINT Ross Walker (Mon Sep 16 2002 - 09:39:36 CDT)
- RE: Beowulf killing jobs Ross Walker (Mon Sep 16 2002 - 09:46:45 CDT)
- example 1 problems Alicia Hopkins (Mon Sep 16 2002 - 10:57:23 CDT)
- assistance required amit kumar (Mon Sep 16 2002 - 11:25:05 CDT)
- Re: example 1 problems David A. Case (Mon Sep 16 2002 - 11:25:54 CDT)
- Re: example 1 problems Natasja Brooijmans (Mon Sep 16 2002 - 11:40:38 CDT)
- Re: amber question David A. Case (Mon Sep 16 2002 - 11:47:03 CDT)
- Re: amber question James W. Caldwell (Mon Sep 16 2002 - 12:24:20 CDT)
- SETVEL, incorrect number of arguments? Giovanni Fossati (Mon Sep 16 2002 - 17:43:30 CDT)
- non-bonded metal ion in complex yuann (Tue Sep 17 2002 - 01:28:45 CDT)
- question about nmode again. Yongjun Jiang (Tue Sep 17 2002 - 02:15:54 CDT)
- Re: example 1 problems Alicia Hopkins (Tue Sep 17 2002 - 07:03:53 CDT)
- Re: non-bonded metal ion in complex Pratul Agarwal (Tue Sep 17 2002 - 08:59:14 CDT)
- Re: example 1 problems James W. Caldwell (Tue Sep 17 2002 - 09:24:30 CDT)
- Re: question about nmode again. David A. Case (Tue Sep 17 2002 - 09:40:00 CDT)
- Re: example 1 problems David A. Case (Tue Sep 17 2002 - 09:45:31 CDT)
- mm_pbsa question. wentaofu (Tue Sep 17 2002 - 10:35:59 CDT)
- Density during equilibration (sander) Pratul Agarwal (Tue Sep 17 2002 - 11:56:10 CDT)
- Re: SETVEL, incorrect number of arguments? David A. Case (Tue Sep 17 2002 - 14:18:38 CDT)
- Re: Density during equilibration (sander) David A. Case (Tue Sep 17 2002 - 14:21:49 CDT)
- Z DNA Sue Heavner (Tue Sep 17 2002 - 14:55:04 CDT)
- Re: Density during equilibration (sander) Pratul Agarwal (Tue Sep 17 2002 - 19:22:22 CDT)
- Re: Density during equilibration (sander) Marc Dobler (Tue Sep 17 2002 - 19:29:22 CDT)
- Re: Density during equilibration (sander) Carlos Simmerling (Tue Sep 17 2002 - 20:44:13 CDT)
- Re: Density during equilibration (sander) Marc Dobler (Wed Sep 18 2002 - 02:11:21 CDT)
- Carnal+HBond confusion Sanjeev B.S. (Wed Sep 18 2002 - 23:18:36 CDT)
- bug in New2oldparm Pascal Bonnet (Thu Sep 19 2002 - 05:35:46 CDT)
- new2oldparm format (2) Pascal Bonnet (Thu Sep 19 2002 - 05:43:39 CDT)
- a freeware to display RMSD matrices Vlad Cojocaru (Thu Sep 19 2002 - 07:44:53 CDT)
- Re: a freeware to display RMSD matrices CUI, Guanglei (Thu Sep 19 2002 - 08:42:29 CDT)
- Re: bug in New2oldparm David A. Case (Thu Sep 19 2002 - 10:28:30 CDT)
- offset of temperature when running MD with CAP and no periodic conditions Therese Malliavin (Thu Sep 19 2002 - 10:44:24 CDT)
- Re: offset of temperature when running MD with CAP and no periodic conditions Andreas Svrcek-Seiler (Thu Sep 19 2002 - 12:11:31 CDT)
- compiling without ISTAR2 Prem Raj (Thu Sep 19 2002 - 12:27:48 CDT)
- image X. Tan (Thu Sep 19 2002 - 12:32:15 CDT)
- Question about Counterions Markus Drumm (Thu Sep 19 2002 - 12:38:24 CDT)
- Re: image David A. Case (Thu Sep 19 2002 - 12:43:32 CDT)
- RE: compiling without ISTAR2 Ross Walker (Thu Sep 19 2002 - 12:50:49 CDT)
- BLOWUP after 100 ns??? Randy M. Wadkins (Thu Sep 19 2002 - 15:51:28 CDT)
- Re: BLOWUP after 100 ns??? Randy M. Wadkins (Thu Sep 19 2002 - 16:39:48 CDT)
- npairs Prem Raj (Thu Sep 19 2002 - 17:22:42 CDT)
- Re: BLOWUP after 100 ns??? David A. Case (Thu Sep 19 2002 - 19:29:58 CDT)
- Re: BLOWUP after 100 ns??? Randy M. Wadkins (Thu Sep 19 2002 - 20:41:16 CDT)
- Dynamic Movement of Molecule Yuuki Komata (Fri Sep 20 2002 - 03:03:48 CDT)
- Re: Parameters for AMBER David A. Case (Fri Sep 20 2002 - 08:53:18 CDT)
- mol2 file format in the future of amber M. L. Dodson (Fri Sep 20 2002 - 09:41:02 CDT)
- (no subject) Prem Raj (Fri Sep 20 2002 - 11:42:14 CDT)
- vlimit and vmax Prem Raj (Fri Sep 20 2002 - 12:27:07 CDT)
- Re: large energy fluctration eric hu (Fri Sep 20 2002 - 13:00:17 CDT)
- Re: Dynamic Movement of Molecule Thomas Cheatham (Fri Sep 20 2002 - 14:01:39 CDT)
- Re: vlimit and vmax Thomas Cheatham (Fri Sep 20 2002 - 14:14:11 CDT)
- Re: vlimit and vmax darden (Fri Sep 20 2002 - 14:27:10 CDT)
- mm_pbsa Sue Heavner (Fri Sep 20 2002 - 15:00:36 CDT)
- ptraj rdf output Prabal Maiti (Fri Sep 20 2002 - 18:24:35 CDT)
- Periodicity Question DeLano, Warren (Fri Sep 20 2002 - 19:29:49 CDT)
- Re: mol2 file format in the future of amber David A. Case (Sun Sep 22 2002 - 10:10:42 CDT)
- Re: mol2 file format in the future of amber M. L. Dodson (Sun Sep 22 2002 - 10:34:06 CDT)
- Re: Do I have to rerun 1ns MD?? Holger Gohlke (Sun Sep 22 2002 - 14:30:40 CDT)
- Re: betaP,SURFOFF inconsistency Holger Gohlke (Sun Sep 22 2002 - 15:20:03 CDT)
- Re: mm_pbsa Holger Gohlke (Sun Sep 22 2002 - 16:01:22 CDT)
- Re: mm_pbsa Mahadevan Seetharaman (Sun Sep 22 2002 - 21:07:27 CDT)
- ptraj-6.4/LES Peter Varnai (Mon Sep 23 2002 - 04:18:25 CDT)
- Re: mm_pbsa David A. Case (Mon Sep 23 2002 - 08:25:02 CDT)
- Fw: Do I have to rerun 1ns MD?? Lepsa (Mon Sep 23 2002 - 10:50:26 CDT)
- mm_pbsa output error Michael Murray (Mon Sep 23 2002 - 12:26:11 CDT)
- antechamber best practices/charge equivalence w/ AM1-BCC Tom Bishop (Mon Sep 23 2002 - 16:28:57 CDT)
- Re: mm_pbsa output error Holger Gohlke (Mon Sep 23 2002 - 23:21:30 CDT)
- watershell in ptraj Michael Trieb (Tue Sep 24 2002 - 04:03:49 CDT)
- Re: Carnal+HBond confusion Sanjeev B.S. (Tue Sep 24 2002 - 07:13:05 CDT)
- expression of V(lambda) in GIBBS hagop demirdjian (Tue Sep 24 2002 - 07:44:02 CDT)
- Re: expression of V(lambda) in GIBBS David A. Case (Tue Sep 24 2002 - 09:14:01 CDT)
- RE: antechamber best practices/charge equivalence w/ AM1-BCC Bayly, Christopher (Tue Sep 24 2002 - 09:49:56 CDT)
- Mopac509mn/linux James W. Caldwell (Tue Sep 24 2002 - 10:00:20 CDT)
- Re: watershell in ptraj Thomas Cheatham (Tue Sep 24 2002 - 14:28:09 CDT)
- ambpdb? Arvid Soederhaell (Wed Sep 25 2002 - 02:38:34 CDT)
- Re: ambpdb? Lepsa (Wed Sep 25 2002 - 03:29:25 CDT)
- ptraj - BONDS_WITHOUT_HYDROGEN Sophia Kondratova (Wed Sep 25 2002 - 11:54:48 CDT)
- (no subject) Apostoluk, Wlodzimierz K (Wed Sep 25 2002 - 14:09:53 CDT)
- compiling amber 7 with Intel Fortran Compiler 6.0 ramon kleber da rocha (Wed Sep 25 2002 - 14:23:21 CDT)
- sander_classic: Recompile without ISTAR2 Mahadevan Seetharaman (Wed Sep 25 2002 - 14:53:59 CDT)
- ISTAR2 - oops, just found the answer... Mahadevan Seetharaman (Wed Sep 25 2002 - 14:55:46 CDT)
- Re: compiling amber 7 with Intel Fortran Compiler 6.0 Scott Brozell (Wed Sep 25 2002 - 15:05:45 CDT)
- compiling amber 7 with Intel Fortran Compiler 6.0 (fwd) John Bushnell (Wed Sep 25 2002 - 15:10:50 CDT)
- Re: compiling amber 7 with Intel Fortran Compiler 6.0 James W. Caldwell (Wed Sep 25 2002 - 15:16:48 CDT)
- RMSD for heavy atoms only Pratul Agarwal (Wed Sep 25 2002 - 15:54:45 CDT)
- Re: compiling amber 7 with Intel Fortran Compiler 6.0 James W. Caldwell (Wed Sep 25 2002 - 15:58:04 CDT)
- Question about Antechamber Masaki Tomimoto (Wed Sep 25 2002 - 16:37:55 CDT)
- mm_pbsa and statistic program Pascal Bonnet (Thu Sep 26 2002 - 05:50:52 CDT)
- different counterions for special type of DNA Vlad Cojocaru (Thu Sep 26 2002 - 07:59:31 CDT)
- Re: Density during equilibration (sander) Pratul Agarwal (Thu Sep 26 2002 - 09:09:02 CDT)
- Re: Question about Antechamber David A. Case (Thu Sep 26 2002 - 10:28:51 CDT)
- Re: GB tutorial David A. Case (Thu Sep 26 2002 - 10:31:19 CDT)
- Re: mm_pbsa and statistic program David A. Case (Thu Sep 26 2002 - 10:37:15 CDT)
- Torsion driving ch cureton (Thu Sep 26 2002 - 11:00:34 CDT)
- Question on Antechamber paper Nicholson, James D Mr ARO (Thu Sep 26 2002 - 12:18:17 CDT)
- Amber Reflector James W. Caldwell (Thu Sep 26 2002 - 12:47:58 CDT)
- Constant pressure equilibration in a system with a solvent cap dianah_at_unm.edu (Thu Sep 26 2002 - 20:04:38 CDT)
- Re: Constant pressure equilibration in a system with a solvent cap James W. Caldwell (Fri Sep 27 2002 - 08:54:46 CDT)
- nmanal help request Peter Fojan (Fri Sep 27 2002 - 08:59:11 CDT)
- Re: Constant pressure equilibration in a system with a solvent cap David A. Case (Fri Sep 27 2002 - 10:26:09 CDT)
- Re: nmanal help request David A. Case (Fri Sep 27 2002 - 10:38:23 CDT)
- Re: Constant pressure equilibration in a system with a solvent cap David Smith (Fri Sep 27 2002 - 11:11:19 CDT)
- MM-PBSA basics Michael Ford (Fri Sep 27 2002 - 14:53:01 CDT)
- MD Primers Joel Konkle-Parker (Fri Sep 27 2002 - 14:54:03 CDT)
- Is H-bonding really there? suvendu lomash (Fri Sep 27 2002 - 14:59:48 CDT)
- Re: Is H-bonding really there? Thomas Cheatham (Fri Sep 27 2002 - 15:53:24 CDT)
- Re: Is H-bonding really there? Pratul Agarwal (Fri Sep 27 2002 - 15:58:25 CDT)
- Re: Is H-bonding really there? Ioana Cozmuta (Fri Sep 27 2002 - 17:04:37 CDT)
- Anal Error : Group Lifeng Tian (Fri Sep 27 2002 - 17:35:23 CDT)
- Re: MD Primers Peter Gannett (Fri Sep 27 2002 - 18:34:40 CDT)
- Request for help with Antechamber Nicholson, James D Mr ARO (Fri Sep 27 2002 - 18:58:58 CDT)
- Re: Request for help with Antechamber David A. Case (Fri Sep 27 2002 - 19:54:21 CDT)
- RE: Request for help with Antechamber Nicholson, James D Mr ARO (Fri Sep 27 2002 - 20:00:37 CDT)
- Re: Request for help with Antechamber James W. Caldwell (Sat Sep 28 2002 - 00:54:24 CDT)
- question about using 10-12 in amber7/sander. Margaret Cheung (Sat Sep 28 2002 - 14:53:56 CDT)
- Re: question about using 10-12 in amber7/sander. Margaret Cheung (Sat Sep 28 2002 - 15:35:48 CDT)
- parameters for sugars A.Madhumalar (Sun Sep 29 2002 - 11:30:36 CDT)
- Re: MM-PBSA basics Holger Gohlke (Sun Sep 29 2002 - 21:44:52 CDT)
- Re: MM-PBSA basics Lepsa (Mon Sep 30 2002 - 02:13:16 CDT)
- groups in targeted md Christoph Brockmann (Mon Sep 30 2002 - 08:15:10 CDT)
- Re: groups in targeted md Carlos Simmerling (Mon Sep 30 2002 - 09:04:26 CDT)
- Re: groups in targeted md Christoph Brockmann (Mon Sep 30 2002 - 09:48:16 CDT)
- Amber 7 and 6 topology files. Miguel de Federico (Mon Sep 30 2002 - 10:08:36 CDT)
- Re: Amber 7 and 6 topology files. James W. Caldwell (Mon Sep 30 2002 - 10:41:25 CDT)
- BondEn shoots in solvent minimization suvendu lomash (Mon Sep 30 2002 - 10:50:39 CDT)
- write problem on IBM-AIX Giovanni Fossati (Mon Sep 30 2002 - 10:51:54 CDT)
- Image charges with the solvate cap command dkeller_at_unm.edu (Mon Sep 30 2002 - 10:52:11 CDT)
- Re: your mail David A. Case (Mon Sep 30 2002 - 11:35:06 CDT)
- Re: parameters for sugars Elsa de Sousa Henriques (Mon Sep 30 2002 - 11:42:24 CDT)
- Problems with poly(A)-poly(T) tutorial... Andrei Leitão (Mon Sep 30 2002 - 14:55:53 CDT)
- Partial charge generation RESP/antechamber James W. Caldwell (Mon Sep 30 2002 - 17:27:37 CDT)
- divalent cations parameters Apostoluk, Wlodzimierz K (Mon Sep 30 2002 - 17:38:11 CDT)
- Re: Image charges with the solvate cap command David A. Case (Mon Sep 30 2002 - 19:34:28 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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