Amber Archive Sep 2002 By Thread
- mpirun Ioana Cozmuta (Sun Sep 01 2002 - 11:32:08 PDT)
- RE: mpirun Ross Walker (Sun Sep 01 2002 - 15:36:24 PDT)
- additional info Ioana Cozmuta (Sun Sep 01 2002 - 11:44:32 PDT)
- Re: NTX value giudice (Mon Sep 02 2002 - 00:05:45 PDT)
- mm_pbsa positive binding energies Mathy Froeyen (Mon Sep 02 2002 - 02:11:34 PDT)
- Re: mm_pbsa positive binding energies David A. Case (Mon Sep 02 2002 - 10:50:30 PDT)
- MDaemon Warning - Virus Found postmaster_at_96com.com (Mon Sep 02 2002 - 03:12:42 PDT)
- MDaemon Warning - Virus Found postmaster_at_96com.com (Mon Sep 02 2002 - 04:25:18 PDT)
- carnal averaging Vlad Cojocaru (Mon Sep 02 2002 - 04:43:33 PDT)
- Re: carnal averaging Holger Gohlke (Mon Sep 02 2002 - 13:43:52 PDT)
- atoms coming too close during MD (with SHAKE on) Pratul Agarwal (Mon Sep 02 2002 - 18:01:18 PDT)
- Re: ES40 hangs amber7 jobs. Sanjeev B.S. (Mon Sep 02 2002 - 19:29:45 PDT)
- question Ioana Cozmuta (Tue Sep 03 2002 - 10:46:04 PDT)
- RE: PyMOL + AMBER Trajectories DeLano, Warren (Tue Sep 03 2002 - 10:51:57 PDT)
- MDaemon Warning - Virus Found postmaster_at_96com.com (Wed Sep 04 2002 - 03:40:26 PDT)
- Escaping Atoms ch cureton (Wed Sep 04 2002 - 03:43:03 PDT)
- RE: Escaping Atoms case (Thu Sep 05 2002 - 15:04:06 PDT)
- bondbydistance eric hu (Thu Sep 05 2002 - 16:20:43 PDT)
- RE: bondbydistance case (Fri Sep 06 2002 - 17:04:02 PDT)
- RE: bondbydistance Nicholson, James D Mr ARO (Sat Sep 07 2002 - 17:16:28 PDT)
- about amber and charmm, thanks Zhang Jian (Sun Sep 08 2002 - 02:10:57 PDT)
- who to address this to?... Jessica Swanson (Sun Sep 08 2002 - 15:59:23 PDT)
- Re: who to address this to?... Holger Gohlke (Mon Sep 09 2002 - 09:25:00 PDT)
- Re: who to address this to?... Michael Crowley (Mon Sep 09 2002 - 10:41:16 PDT)
- amber7 compilation on irix6.4 mp K.Seshadri (Mon Sep 09 2002 - 10:44:13 PDT)
- How to check whether the trajectory file matches the coordinates file or not? Ling Zhang (Mon Sep 09 2002 - 11:31:13 PDT)
- Re: How to check whether the trajectory file matches the coordinates file or not? Shixiang Yan (Mon Sep 09 2002 - 11:53:04 PDT)
- RE: How to check whether the trajectory file matches the coordinates file or not? Kristina Furse (Mon Sep 09 2002 - 12:32:27 PDT)
- why are the results so large difference calculating by mm_pbsa and mm_gbsa? Yongjun Jiang (Tue Sep 10 2002 - 00:18:46 PDT)
- Re: why are the results so large difference calculating by mm_pbsa and mm_gbsa? Holger Gohlke (Tue Sep 10 2002 - 09:26:07 PDT)
- Strange MD simulation results with GB solvation at high temp. Soonmin Jang (Tue Sep 10 2002 - 03:09:06 PDT)
- Re: Strange MD simulation results with GB solvation at high temp. Carlos Simmerling (Tue Sep 10 2002 - 05:07:58 PDT)
- Re: Strange MD simulation results with GB solvation at high temp. Soonmin Jang (Tue Sep 10 2002 - 08:56:53 PDT)
- MDaemon Warning - Virus Found postmaster_at_96com.com (Tue Sep 10 2002 - 08:57:00 PDT)
- nmode compile question? Yongjun Jiang (Tue Sep 10 2002 - 05:46:18 PDT)
- Re: nmode compile question? Holger Gohlke (Tue Sep 10 2002 - 09:17:24 PDT)
- Re: nmode compile question? James W. Caldwell (Tue Sep 10 2002 - 11:04:07 PDT)
- rdparm Joffre Heredia (Tue Sep 10 2002 - 11:07:26 PDT)
- loadpdb error messages Joel Konkle-Parker (Tue Sep 10 2002 - 15:58:07 PDT)
- Re: loadpdb error messages James W. Caldwell (Tue Sep 10 2002 - 16:49:48 PDT)
- Polarizability, a general question Michal Otyepka (Wed Sep 11 2002 - 01:56:32 PDT)
- memory allocation in mm_pbsa Giulio Rastelli (Wed Sep 11 2002 - 03:41:04 PDT)
- Re: memory allocation in mm_pbsa James W. Caldwell (Wed Sep 11 2002 - 08:26:19 PDT)
- Re: memory allocation in mm_pbsa Holger Gohlke (Wed Sep 11 2002 - 08:55:07 PDT)
- Problems during equilibration Pratul Agarwal (Wed Sep 11 2002 - 12:38:36 PDT)
- Re: Problems during equilibration Pratul Agarwal (Wed Sep 11 2002 - 13:14:05 PDT)
- Dual Processor AMD vs. Single Processor DeLano, Warren (Wed Sep 11 2002 - 17:34:47 PDT)
- Re: Dual Processor AMD vs. Single Processor Stéphane Teletchéa (Thu Sep 12 2002 - 01:09:58 PDT)
- Qustion about calculation of pressure Nikolai Smolin (Thu Sep 12 2002 - 03:01:44 PDT)
- Re: Qustion about calculation of pressure James W. Caldwell (Thu Sep 12 2002 - 09:43:25 PDT)
- sorry this is just a test Vlad Cojocaru (Thu Sep 12 2002 - 08:23:24 PDT)
- leap and topology file Marcela Madrid (Thu Sep 12 2002 - 09:12:20 PDT)
- Re: leap and topology file Lepsa (Fri Sep 13 2002 - 07:39:45 PDT)
- sander.LES questions Peter Varnai (Thu Sep 12 2002 - 09:27:12 PDT)
- Re: sander.LES questions Carlos Simmerling (Thu Sep 12 2002 - 10:24:25 PDT)
- large energy fluctration eric hu (Thu Sep 12 2002 - 11:05:10 PDT)
- Re: large energy fluctration Carlos Simmerling (Thu Sep 12 2002 - 11:50:09 PDT)
- Re: large energy fluctration eric hu (Fri Sep 20 2002 - 11:00:17 PDT)
- the amino group of 2amino purine has strange behaviour Vlad Cojocaru (Thu Sep 12 2002 - 11:42:10 PDT)
- Re: Problems during equilibration Pratul Agarwal (Wed Sep 11 2002 - 19:40:05 PDT)
- just a test Vlad Cojocaru (Wed Sep 11 2002 - 06:39:59 PDT)
- GBSA and surface crystal waters Raik Grunberg (Tue Sep 10 2002 - 07:44:20 PDT)
- Re: Strange MD simulation results with GB solvation at high temp. David A. Case (Wed Sep 11 2002 - 18:20:17 PDT)
- Re: Strange MD simulation results with GB solvation at high temp. Carlos Simmerling (Wed Sep 11 2002 - 19:04:44 PDT)
- Re: Strange MD simulation results with GB solvation at high temp. Soonmin Jang (Thu Sep 12 2002 - 22:21:32 PDT)
- Distace dependent dielectric constant Lorenzo Gontrani (Mon Sep 09 2002 - 01:33:43 PDT)
- Re: Distace dependent dielectric constant David A. Case (Thu Sep 12 2002 - 15:39:35 PDT)
- Changing MAXINT Joel Konkle-Parker (Thu Sep 12 2002 - 16:21:13 PDT)
- Re: Changing MAXINT John Bushnell (Fri Sep 13 2002 - 15:38:52 PDT)
- D-tryptophan Perdita Barran (Sat Sep 14 2002 - 07:16:45 PDT)
- Re: D-tryptophan James W. Caldwell (Sat Sep 14 2002 - 08:21:42 PDT)
- amber K.Veluraja (Sun Sep 15 2002 - 22:14:04 PDT)
- amber question yao yong (Mon Sep 16 2002 - 04:03:16 PDT)
- Re: amber question David A. Case (Mon Sep 16 2002 - 09:47:03 PDT)
- Re: amber question James W. Caldwell (Mon Sep 16 2002 - 10:24:20 PDT)
- SETVEL, incorrect number of arguments? Giovanni Fossati (Mon Sep 16 2002 - 15:43:30 PDT)
- Re: SETVEL, incorrect number of arguments? David A. Case (Tue Sep 17 2002 - 12:18:38 PDT)
- non-bonded metal ion in complex yuann (Mon Sep 16 2002 - 23:28:45 PDT)
- Re: non-bonded metal ion in complex Pratul Agarwal (Tue Sep 17 2002 - 06:59:14 PDT)
- question about nmode again. Yongjun Jiang (Tue Sep 17 2002 - 00:15:54 PDT)
- Re: question about nmode again. David A. Case (Tue Sep 17 2002 - 07:40:00 PDT)
- RE: Changing MAXINT Ross Walker (Mon Sep 16 2002 - 07:39:36 PDT)
- binding site volume Shixiang Yan (Thu Sep 12 2002 - 16:38:41 PDT)
- Re: binding site volume Michal Otyepka (Fri Sep 13 2002 - 00:13:08 PDT)
- MDaemon Warning - Virus Found postmaster_at_96com.com (Fri Sep 13 2002 - 06:10:40 PDT)
- MDaemon Warning - Virus Found postmaster_at_96com.com (Fri Sep 13 2002 - 06:13:22 PDT)
- problems on IBM AIX Giovanni Fossati (Thu Sep 12 2002 - 18:43:52 PDT)
- Re: problems on IBM AIX David A. Case (Fri Sep 13 2002 - 07:42:14 PDT)
- Re: problems on IBM AIX Carlos P. Sosa (Fri Sep 13 2002 - 08:47:31 PDT)
- Beowulf killing jobs Peter Gannett (Fri Sep 13 2002 - 14:03:19 PDT)
- RE: Beowulf killing jobs Ross Walker (Mon Sep 16 2002 - 07:46:45 PDT)
- example 1 problems Alicia Hopkins (Mon Sep 16 2002 - 08:57:23 PDT)
- Re: example 1 problems David A. Case (Mon Sep 16 2002 - 09:25:54 PDT)
- Re: example 1 problems Alicia Hopkins (Tue Sep 17 2002 - 05:03:53 PDT)
- Re: example 1 problems James W. Caldwell (Tue Sep 17 2002 - 07:24:30 PDT)
- Re: example 1 problems David A. Case (Tue Sep 17 2002 - 07:45:31 PDT)
- mm_pbsa question. wentaofu (Tue Sep 17 2002 - 08:35:59 PDT)
- Density during equilibration (sander) Pratul Agarwal (Tue Sep 17 2002 - 09:56:10 PDT)
- Re: Density during equilibration (sander) David A. Case (Tue Sep 17 2002 - 12:21:49 PDT)
- Re: Density during equilibration (sander) Marc Dobler (Tue Sep 17 2002 - 17:29:22 PDT)
- Re: Density during equilibration (sander) Carlos Simmerling (Tue Sep 17 2002 - 18:44:13 PDT)
- Re: Density during equilibration (sander) Marc Dobler (Wed Sep 18 2002 - 00:11:21 PDT)
- Carnal+HBond confusion Sanjeev B.S. (Wed Sep 18 2002 - 21:18:36 PDT)
- Re: Carnal+HBond confusion Sanjeev B.S. (Tue Sep 24 2002 - 05:13:05 PDT)
- bug in New2oldparm Pascal Bonnet (Thu Sep 19 2002 - 03:35:46 PDT)
- Re: bug in New2oldparm David A. Case (Thu Sep 19 2002 - 08:28:30 PDT)
- offset of temperature when running MD with CAP and no periodic conditions Therese Malliavin (Thu Sep 19 2002 - 08:44:24 PDT)
- Re: offset of temperature when running MD with CAP and no periodic conditions Andreas Svrcek-Seiler (Thu Sep 19 2002 - 10:11:31 PDT)
- image X. Tan (Thu Sep 19 2002 - 10:32:15 PDT)
- Re: image David A. Case (Thu Sep 19 2002 - 10:43:32 PDT)
- Question about Counterions Markus Drumm (Thu Sep 19 2002 - 10:38:24 PDT)
- new2oldparm format (2) Pascal Bonnet (Thu Sep 19 2002 - 03:43:39 PDT)
- a freeware to display RMSD matrices Vlad Cojocaru (Thu Sep 19 2002 - 05:44:53 PDT)
- Re: a freeware to display RMSD matrices CUI, Guanglei (Thu Sep 19 2002 - 06:42:29 PDT)
- Re: Density during equilibration (sander) Pratul Agarwal (Tue Sep 17 2002 - 17:22:22 PDT)
- Re: Density during equilibration (sander) Pratul Agarwal (Thu Sep 26 2002 - 07:09:02 PDT)
- Re: example 1 problems Natasja Brooijmans (Mon Sep 16 2002 - 09:40:38 PDT)
- assistance required amit kumar (Mon Sep 16 2002 - 09:25:05 PDT)
- Help using moilview to make animations of trajectories Nicholson, James D Mr ARO (Fri Sep 13 2002 - 15:15:33 PDT)
- parameterization of a new class of compounds (nucleic acid base analogues) Vlad Cojocaru (Mon Sep 09 2002 - 02:40:05 PDT)
- MDaemon Warning - Virus Found postmaster_at_96com.com (Mon Sep 09 2002 - 04:04:45 PDT)
- MDaemon Warning - Virus Found postmaster_at_96com.com (Fri Sep 06 2002 - 04:13:47 PDT)
- group selection for all heavy atoms ? Raik Grunberg (Fri Sep 06 2002 - 09:23:33 PDT)
- compiling amber on a linux box using DMEM-ALLOC ramon kleber da rocha (Fri Sep 06 2002 - 13:46:43 PDT)
- Re: compiling amber on a linux box using DMEM-ALLOC Scott Brozell (Fri Sep 06 2002 - 15:01:27 PDT)
- Re: compiling amber on a linux box using DMEM-ALLOC ramon kleber da rocha (Fri Sep 06 2002 - 16:11:55 PDT)
- Re: compiling amber on a linux box using DMEM-ALLOC John Bushnell (Fri Sep 06 2002 - 16:43:12 PDT)
- Re: compiling amber on a linux box using DMEM-ALLOC James W. Caldwell (Fri Sep 06 2002 - 17:56:42 PDT)
- Re: compiling amber on a linux box using DMEM-ALLOC Scott Brozell (Fri Sep 06 2002 - 17:16:40 PDT)
- Re: compiling amber on a linux box using DMEM-ALLOC Florian Barth (Fri Sep 06 2002 - 15:13:31 PDT)
- cut-off question Cozmuta (Fri Sep 06 2002 - 15:49:21 PDT)
- RE: cut-off question case (Fri Sep 06 2002 - 17:01:28 PDT)
- Re: compiling amber on a linux box using DMEM-ALLOC Scott Brozell (Fri Sep 06 2002 - 15:01:27 PDT)
- old prmtop Thomas Steinbrecher (Wed Sep 04 2002 - 08:56:47 PDT)
- Re: old prmtop C. Klein (Wed Sep 04 2002 - 09:21:18 PDT)
- Re: old prmtop Holger Gohlke (Wed Sep 04 2002 - 09:21:32 PDT)
- Re: old prmtop Peter Gannett (Wed Sep 04 2002 - 11:10:56 PDT)
- how to detect bad contact? X. Tan (Wed Sep 04 2002 - 12:14:40 PDT)
- cut-off question Ioana Cozmuta (Wed Sep 04 2002 - 12:43:38 PDT)
- DNA Tutorial Script Joel Konkle-Parker (Wed Sep 04 2002 - 16:18:16 PDT)
- Re: DNA Tutorial Script Holger Gohlke (Wed Sep 04 2002 - 20:29:23 PDT)
- why are the results so large difference calculating by mm_pbsaandmm_gbsa? Yongjun Jiang (Thu Sep 12 2002 - 00:25:32 PDT)
- Z DNA Sue Heavner (Tue Sep 17 2002 - 12:55:04 PDT)
- RE: compiling without ISTAR2 Ross Walker (Thu Sep 19 2002 - 10:50:49 PDT)
- BLOWUP after 100 ns??? Randy M. Wadkins (Thu Sep 19 2002 - 13:51:28 PDT)
- Re: BLOWUP after 100 ns??? Randy M. Wadkins (Thu Sep 19 2002 - 14:39:48 PDT)
- Re: BLOWUP after 100 ns??? David A. Case (Thu Sep 19 2002 - 17:29:58 PDT)
- Re: BLOWUP after 100 ns??? Randy M. Wadkins (Thu Sep 19 2002 - 18:41:16 PDT)
- Dynamic Movement of Molecule Yuuki Komata (Fri Sep 20 2002 - 01:03:48 PDT)
- Re: Dynamic Movement of Molecule Thomas Cheatham (Fri Sep 20 2002 - 12:01:39 PDT)
- ptraj rdf output Prabal Maiti (Fri Sep 20 2002 - 16:24:35 PDT)
- Periodicity Question DeLano, Warren (Fri Sep 20 2002 - 17:29:49 PDT)
- Re: Parameters for AMBER David A. Case (Fri Sep 20 2002 - 06:53:18 PDT)
- mol2 file format in the future of amber M. L. Dodson (Fri Sep 20 2002 - 07:41:02 PDT)
- Re: mol2 file format in the future of amber David A. Case (Sun Sep 22 2002 - 08:10:42 PDT)
- Re: mol2 file format in the future of amber M. L. Dodson (Sun Sep 22 2002 - 08:34:06 PDT)
- Re: mol2 file format in the future of amber David A. Case (Sun Sep 22 2002 - 08:10:42 PDT)
- Re: vlimit and vmax Thomas Cheatham (Fri Sep 20 2002 - 12:14:11 PDT)
- Re: vlimit and vmax darden (Fri Sep 20 2002 - 12:27:10 PDT)
- mm_pbsa Sue Heavner (Fri Sep 20 2002 - 13:00:36 PDT)
- Re: mm_pbsa Holger Gohlke (Sun Sep 22 2002 - 14:01:22 PDT)
- Re: mm_pbsa Mahadevan Seetharaman (Sun Sep 22 2002 - 19:07:27 PDT)
- Re: mm_pbsa David A. Case (Mon Sep 23 2002 - 06:25:02 PDT)
- ptraj-6.4/LES Peter Varnai (Mon Sep 23 2002 - 02:18:25 PDT)
- Re: mm_pbsa Mahadevan Seetharaman (Sun Sep 22 2002 - 19:07:27 PDT)
- Re: mm_pbsa Holger Gohlke (Sun Sep 22 2002 - 14:01:22 PDT)
- Re: Do I have to rerun 1ns MD?? Holger Gohlke (Sun Sep 22 2002 - 12:30:40 PDT)
- Re: betaP,SURFOFF inconsistency Holger Gohlke (Sun Sep 22 2002 - 13:20:03 PDT)
- Fw: Do I have to rerun 1ns MD?? Lepsa (Mon Sep 23 2002 - 08:50:26 PDT)
- mm_pbsa output error Michael Murray (Mon Sep 23 2002 - 10:26:11 PDT)
- Re: mm_pbsa output error Holger Gohlke (Mon Sep 23 2002 - 21:21:30 PDT)
- watershell in ptraj Michael Trieb (Tue Sep 24 2002 - 02:03:49 PDT)
- expression of V(lambda) in GIBBS hagop demirdjian (Tue Sep 24 2002 - 05:44:02 PDT)
- Re: expression of V(lambda) in GIBBS David A. Case (Tue Sep 24 2002 - 07:14:01 PDT)
- Re: watershell in ptraj Thomas Cheatham (Tue Sep 24 2002 - 12:28:09 PDT)
- ambpdb? Arvid Soederhaell (Wed Sep 25 2002 - 00:38:34 PDT)
- Re: ambpdb? Lepsa (Wed Sep 25 2002 - 01:29:25 PDT)
- ptraj - BONDS_WITHOUT_HYDROGEN Sophia Kondratova (Wed Sep 25 2002 - 09:54:48 PDT)
- (no subject) Apostoluk, Wlodzimierz K (Wed Sep 25 2002 - 12:09:53 PDT)
- Re: your mail David A. Case (Mon Sep 30 2002 - 09:35:06 PDT)
- compiling amber 7 with Intel Fortran Compiler 6.0 ramon kleber da rocha (Wed Sep 25 2002 - 12:23:21 PDT)
- Re: compiling amber 7 with Intel Fortran Compiler 6.0 Scott Brozell (Wed Sep 25 2002 - 13:05:45 PDT)
- compiling amber 7 with Intel Fortran Compiler 6.0 (fwd) John Bushnell (Wed Sep 25 2002 - 13:10:50 PDT)
- Re: compiling amber 7 with Intel Fortran Compiler 6.0 James W. Caldwell (Wed Sep 25 2002 - 13:16:48 PDT)
- Re: compiling amber 7 with Intel Fortran Compiler 6.0 James W. Caldwell (Wed Sep 25 2002 - 13:58:04 PDT)
- Question about Antechamber Masaki Tomimoto (Wed Sep 25 2002 - 14:37:55 PDT)
- Re: Question about Antechamber David A. Case (Thu Sep 26 2002 - 08:28:51 PDT)
- mm_pbsa and statistic program Pascal Bonnet (Thu Sep 26 2002 - 03:50:52 PDT)
- Re: mm_pbsa and statistic program David A. Case (Thu Sep 26 2002 - 08:37:15 PDT)
- Torsion driving ch cureton (Thu Sep 26 2002 - 09:00:34 PDT)
- Question on Antechamber paper Nicholson, James D Mr ARO (Thu Sep 26 2002 - 10:18:17 PDT)
- Amber Reflector James W. Caldwell (Thu Sep 26 2002 - 10:47:58 PDT)
- Constant pressure equilibration in a system with a solvent cap dianah_at_unm.edu (Thu Sep 26 2002 - 18:04:38 PDT)
- Re: Constant pressure equilibration in a system with a solvent cap James W. Caldwell (Fri Sep 27 2002 - 06:54:46 PDT)
- nmanal help request Peter Fojan (Fri Sep 27 2002 - 06:59:11 PDT)
- Re: nmanal help request David A. Case (Fri Sep 27 2002 - 08:38:23 PDT)
- Re: Constant pressure equilibration in a system with a solvent cap David A. Case (Fri Sep 27 2002 - 08:26:09 PDT)
- Re: Constant pressure equilibration in a system with a solvent cap David Smith (Fri Sep 27 2002 - 09:11:19 PDT)
- MM-PBSA basics Michael Ford (Fri Sep 27 2002 - 12:53:01 PDT)
- Re: MM-PBSA basics Holger Gohlke (Sun Sep 29 2002 - 19:44:52 PDT)
- Re: MM-PBSA basics Lepsa (Mon Sep 30 2002 - 00:13:16 PDT)
- groups in targeted md Christoph Brockmann (Mon Sep 30 2002 - 06:15:10 PDT)
- Re: groups in targeted md Carlos Simmerling (Mon Sep 30 2002 - 07:04:26 PDT)
- Re: groups in targeted md Christoph Brockmann (Mon Sep 30 2002 - 07:48:16 PDT)
- Amber 7 and 6 topology files. Miguel de Federico (Mon Sep 30 2002 - 08:08:36 PDT)
- Re: Amber 7 and 6 topology files. James W. Caldwell (Mon Sep 30 2002 - 08:41:25 PDT)
- BondEn shoots in solvent minimization suvendu lomash (Mon Sep 30 2002 - 08:50:39 PDT)
- write problem on IBM-AIX Giovanni Fossati (Mon Sep 30 2002 - 08:51:54 PDT)
- Image charges with the solvate cap command dkeller_at_unm.edu (Mon Sep 30 2002 - 08:52:11 PDT)
- Re: Image charges with the solvate cap command David A. Case (Mon Sep 30 2002 - 17:34:28 PDT)
- MD Primers Joel Konkle-Parker (Fri Sep 27 2002 - 12:54:03 PDT)
- Re: MD Primers Peter Gannett (Fri Sep 27 2002 - 16:34:40 PDT)
- Request for help with Antechamber Nicholson, James D Mr ARO (Fri Sep 27 2002 - 16:58:58 PDT)
- Re: Request for help with Antechamber David A. Case (Fri Sep 27 2002 - 17:54:21 PDT)
- Re: Request for help with Antechamber James W. Caldwell (Fri Sep 27 2002 - 22:54:24 PDT)
- question about using 10-12 in amber7/sander. Margaret Cheung (Sat Sep 28 2002 - 12:53:56 PDT)
- Re: question about using 10-12 in amber7/sander. Margaret Cheung (Sat Sep 28 2002 - 13:35:48 PDT)
- parameters for sugars A.Madhumalar (Sun Sep 29 2002 - 09:30:36 PDT)
- Re: parameters for sugars Elsa de Sousa Henriques (Mon Sep 30 2002 - 09:42:24 PDT)
- Problems with poly(A)-poly(T) tutorial... Andrei Leitão (Mon Sep 30 2002 - 12:55:53 PDT)
- Partial charge generation RESP/antechamber James W. Caldwell (Mon Sep 30 2002 - 15:27:37 PDT)
- divalent cations parameters Apostoluk, Wlodzimierz K (Mon Sep 30 2002 - 15:38:11 PDT)
- RE: Request for help with Antechamber Nicholson, James D Mr ARO (Fri Sep 27 2002 - 18:00:37 PDT)
- Is H-bonding really there? suvendu lomash (Fri Sep 27 2002 - 12:59:48 PDT)
- Re: Is H-bonding really there? Thomas Cheatham (Fri Sep 27 2002 - 13:53:24 PDT)
- Re: Is H-bonding really there? Pratul Agarwal (Fri Sep 27 2002 - 13:58:25 PDT)
- Re: Is H-bonding really there? Ioana Cozmuta (Fri Sep 27 2002 - 15:04:37 PDT)
- Anal Error : Group Lifeng Tian (Fri Sep 27 2002 - 15:35:23 PDT)
- different counterions for special type of DNA Vlad Cojocaru (Thu Sep 26 2002 - 05:59:31 PDT)
- RMSD for heavy atoms only Pratul Agarwal (Wed Sep 25 2002 - 13:54:45 PDT)
- sander_classic: Recompile without ISTAR2 Mahadevan Seetharaman (Wed Sep 25 2002 - 12:53:59 PDT)
- ISTAR2 - oops, just found the answer... Mahadevan Seetharaman (Wed Sep 25 2002 - 12:55:46 PDT)
- expression of V(lambda) in GIBBS hagop demirdjian (Tue Sep 24 2002 - 05:44:02 PDT)
- antechamber best practices/charge equivalence w/ AM1-BCC Tom Bishop (Mon Sep 23 2002 - 14:28:57 PDT)
- RE: antechamber best practices/charge equivalence w/ AM1-BCC Bayly, Christopher (Tue Sep 24 2002 - 07:49:56 PDT)
- Mopac509mn/linux James W. Caldwell (Tue Sep 24 2002 - 08:00:20 PDT)
- Re: GB tutorial David A. Case (Thu Sep 26 2002 - 08:31:19 PDT)
- Last message date: Mon Sep 30 2002 - 17:34:28 PDT
- Archived on: Mon Jan 05 2009 - 06:05:48 PST
Custom Search