AMBER Archive (2003) - Jan 2003 By DateMost recent messages
232 messages sorted by:
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About this archive
Starting: Thu Jan 02 2003 - 04:37:41 CST
Ending: Fri Jan 31 2003 - 17:49:52 CST
- TFE input Raja Swaminathan (Thu Jan 02 2003 - 04:37:41 CST)
- Sander box error and thanks on previous mdin error kxg2248_at_njit.edu (Thu Jan 02 2003 - 21:41:49 CST)
- Re: Sander box error and thanks on previous mdin error David A. Case (Fri Jan 03 2003 - 09:40:07 CST)
- JACS 125th and PAK Carlos Simmerling (Fri Jan 03 2003 - 11:02:12 CST)
- Re: Sander box error and thanks on previous mdin error kxg2248_at_njit.edu (Fri Jan 03 2003 - 11:37:05 CST)
- Re: JACS 125th and PAK David A. Case (Fri Jan 03 2003 - 12:36:47 CST)
- Linux cluster Amber7 sander mpi error -- Null communicator, IOT Trap Chris Switzer (Fri Jan 03 2003 - 21:18:11 CST)
- Re: Linux cluster Amber7 sander mpi error -- Null communicator, IOT Trap David Case (Fri Jan 03 2003 - 23:46:00 CST)
- Re: Linux cluster Amber7 sander mpi error -- Null communicator, IOT Trap Florian Barth (Sat Jan 04 2003 - 00:36:27 CST)
- looking for 'pdb_to_mass' yuann (Tue Jan 07 2003 - 00:54:32 CST)
- water reordering in sander Michael Trieb (Tue Jan 07 2003 - 07:43:38 CST)
- Re: looking for 'pdb_to_mass' CUI, Guanglei (Tue Jan 07 2003 - 08:06:05 CST)
- Small organic molecules Dvira Segal (Tue Jan 07 2003 - 09:55:31 CST)
- Re: water reordering in sander David A. Case (Tue Jan 07 2003 - 10:03:58 CST)
- reducing restrains Luis Gracia (Tue Jan 07 2003 - 10:14:43 CST)
- Re: Small organic molecules David A. Case (Tue Jan 07 2003 - 10:16:48 CST)
- Re: reducing restrains David A. Case (Tue Jan 07 2003 - 11:08:24 CST)
- Re: Linux cluster Amber7 sander mpi error -- Null communicator, IOT Trap Jim Newhouse (Tue Jan 07 2003 - 13:07:32 CST)
- virtual box eric hu (Tue Jan 07 2003 - 17:26:15 CST)
- Re: virtual box David A. Case (Tue Jan 07 2003 - 17:56:29 CST)
- mm_pbsa question wentaofu (Tue Jan 07 2003 - 18:17:08 CST)
- Re: mm_pbsa question Holger Gohlke (Tue Jan 07 2003 - 18:41:30 CST)
- the unit of velocity Jian Zhang (Tue Jan 07 2003 - 22:36:58 CST)
- nmanal & quasih question yuann (Wed Jan 08 2003 - 01:16:56 CST)
- Re: virtual box eric hu (Wed Jan 08 2003 - 01:35:09 CST)
- Re: virtual box eric hu (Wed Jan 08 2003 - 01:35:21 CST)
- building molecules by script files for leap Dvira Segal (Wed Jan 08 2003 - 10:07:57 CST)
- Re: the unit of velocity David A. Case (Wed Jan 08 2003 - 10:09:43 CST)
- Re: building molecules by script files for leap David A. Case (Wed Jan 08 2003 - 11:27:13 CST)
- mm_gbsa error message Mahadevan Seetharaman (Wed Jan 08 2003 - 12:17:23 CST)
- Predefined Water_cap with xleap Jose Ramon Blas (Wed Jan 08 2003 - 12:42:16 CST)
- Re: mm_gbsa error message Holger Gohlke (Wed Jan 08 2003 - 15:52:31 CST)
- Amber parameters for Netropsin Manuel Rueda (Wed Jan 08 2003 - 17:48:12 CST)
- Re: the unit of velocity Jian Zhang (Wed Jan 08 2003 - 20:12:15 CST)
- GIBBS - Routine TORCON failed. Required change is too large. Miguel de Federico (Thu Jan 09 2003 - 04:11:41 CST)
- Re: nmanal & quasih question yuann (Thu Jan 09 2003 - 10:13:30 CST)
- free energy perturbation (Gibbs/Amber 5)? meiselba (Thu Jan 09 2003 - 10:49:09 CST)
- Re: nmanal & quasih question David A. Case (Thu Jan 09 2003 - 11:16:11 CST)
- MM_pbsa prmtop file wentaofu (Thu Jan 09 2003 - 17:29:38 CST)
- Re: MM_pbsa prmtop file David A. Case (Thu Jan 09 2003 - 17:53:53 CST)
- Re: free energy perturbation (Gibbs/Amber 5)? Lepsa (Fri Jan 10 2003 - 03:56:50 CST)
- xleap crashes Layi Adekoya (Fri Jan 10 2003 - 06:16:26 CST)
- IDSX0 in free energy calculations Lepsa (Fri Jan 10 2003 - 07:29:04 CST)
- (no subject) amkumar_at_post.its.mcw.edu (Fri Jan 10 2003 - 11:35:12 CST)
- errors in MD trajectories Vlad Cojocaru (Fri Jan 10 2003 - 12:13:03 CST)
- pdb_to_mass Jake Isaacs (Fri Jan 10 2003 - 14:42:35 CST)
- Re: pdb_to_mass sychen (Fri Jan 10 2003 - 19:53:37 CST)
- Force Fields Colin Connelly (Fri Jan 10 2003 - 23:44:35 CST)
- Re: xleap crashes David Case (Sat Jan 11 2003 - 00:05:45 CST)
- electrostatic potential calculations Vlad Cojocaru (Sat Jan 11 2003 - 10:05:07 CST)
- Re: electrostatic potential calculations Andreas Svrcek-Seiler (Sat Jan 11 2003 - 10:43:33 CST)
- Dummy atoms in free energy calculation Lepsa (Sat Jan 11 2003 - 12:18:44 CST)
- problem with antechamber Craig A Bayse (Sun Jan 12 2003 - 12:54:05 CST)
- Re: problem with antechamber David A. Case (Sun Jan 12 2003 - 16:01:06 CST)
- Re: Dummy atoms in free energy calculation David A. Case (Mon Jan 13 2003 - 01:37:35 CST)
- xleap crashes Layi Adekoya (Mon Jan 13 2003 - 01:54:20 CST)
- coordinates for quasih Jake Isaacs (Mon Jan 13 2003 - 08:43:54 CST)
- Re: coordinates for quasih Pratul Agarwal (Mon Jan 13 2003 - 09:48:17 CST)
- Re: mm_pbsa -- COMPT must be specified (correctly) Holger Gohlke (Mon Jan 13 2003 - 11:01:10 CST)
- Re: xleap crashes David A. Case (Mon Jan 13 2003 - 11:08:15 CST)
- Re: electrostatic potential calculations Peter Gannett (Mon Jan 13 2003 - 11:32:19 CST)
- RE: mm_pbsa -- COMPT must be specified (correctly) William Wei (Mon Jan 13 2003 - 11:32:36 CST)
- mm_pbsa -- COMPT must be specified (correctly) William Wei (Mon Jan 13 2003 - 12:00:10 CST)
- Re: CCL:electrostatic potential calculations Nathan A. Baker (Mon Jan 13 2003 - 16:27:00 CST)
- xleap crashes Layi Adekoya (Tue Jan 14 2003 - 02:46:49 CST)
- Re: mm_pbsa -- COMPT must be specified (correctly) Lepsa (Tue Jan 14 2003 - 02:49:55 CST)
- chloroform, dichlormethane f.f. Arvid Soederhaell (Tue Jan 14 2003 - 04:24:33 CST)
- MEAD on SuSE 8.1 Vlad Cojocaru (Tue Jan 14 2003 - 09:10:18 CST)
- Summary: mm_pbsa -- COMPT must be specified (correctly) William Wei (Tue Jan 14 2003 - 09:31:07 CST)
- Re: chloroform, dichlormethane f.f. David A. Case (Tue Jan 14 2003 - 10:19:24 CST)
- Re: CCL:MEAD on SuSE 8.1 Szilveszter Juhos (Tue Jan 14 2003 - 10:22:08 CST)
- mm_gbsa: Unit 5 Error on OPEN: sander_com.in William Wei (Tue Jan 14 2003 - 11:19:36 CST)
- Re: mm_gbsa: Unit 5 Error on OPEN: sander_com.in Michael Ford (Tue Jan 14 2003 - 11:34:33 CST)
- Moil-view Ling Zhang (Tue Jan 14 2003 - 11:47:14 CST)
- Re: Moil-view CUI, Guanglei (Tue Jan 14 2003 - 11:48:49 CST)
- how to stop mapping of N- and C-terminal residues in xleap Michael Ford (Tue Jan 14 2003 - 13:37:27 CST)
- Re: how to stop mapping of N- and C-terminal residues in xleap David A. Case (Tue Jan 14 2003 - 13:59:52 CST)
- solvatecap GUILLERMINA L ESTIU (Tue Jan 14 2003 - 14:33:16 CST)
- Re: solvatecap David A. Case (Tue Jan 14 2003 - 16:29:43 CST)
- Re: chloroform, dichlormethane f.f. Jose Ramon Blas (Tue Jan 14 2003 - 18:05:34 CST)
- nscm Kristina Furse (Tue Jan 14 2003 - 18:21:52 CST)
- Re: nscm David A. Case (Tue Jan 14 2003 - 18:55:14 CST)
- compiling amber: Machine file for new 64 bit HP-Itanium II CPU Ying-Chieh Sun (Tue Jan 14 2003 - 19:40:40 CST)
- solvatecap GUILLERMINA L ESTIU (Wed Jan 15 2003 - 08:48:05 CST)
- Re: mm_gbsa: Unit 5 Error on OPEN: sander_com.in Michael Ford (Wed Jan 15 2003 - 12:00:34 CST)
- Re: how to stop mapping of N- and C-terminal residues in xleap (The RTFM solution) Michael Ford (Wed Jan 15 2003 - 12:02:52 CST)
- RE: nscm Kristina Furse (Wed Jan 15 2003 - 13:13:00 CST)
- mail reflector caldwell_at_heimdal.compchem.ucsf.edu (Thu Jan 16 2003 - 15:07:10 CST)
- solvent free energy, GB Robert G. Endres (Thu Jan 16 2003 - 15:33:36 CST)
- terminal phosphate group in RNA Mahadevan Seetharaman (Thu Jan 16 2003 - 16:10:13 CST)
- Re: solvent free energy, GB David A. Case (Thu Jan 16 2003 - 18:25:16 CST)
- Polarization charges -geometry Lepsa (Fri Jan 17 2003 - 02:21:30 CST)
- octahedral volume Peter Varnai (Fri Jan 17 2003 - 04:26:58 CST)
- mm_pbsa Stop at statistics William Wei (Fri Jan 17 2003 - 12:52:48 CST)
- UCSF Network changes to affect Amber Web site. caldwell_at_heimdal.compchem.ucsf.edu (Fri Jan 17 2003 - 13:41:19 CST)
- RE: UCSF Network changes to affect Amber Web site. Ross Walker (Fri Jan 17 2003 - 14:07:29 CST)
- Re: UCSF Network changes to affect Amber Web site. David A. Case (Fri Jan 17 2003 - 14:14:59 CST)
- nucleic acid structures Ioana Cozmuta (Fri Jan 17 2003 - 19:12:35 CST)
- Bug found in sander - incorrect conversion factor causes randomized velocities to be too cold John D. Chodera (Sat Jan 18 2003 - 03:26:12 CST)
- Re: Bug found in sander - incorrect conversion factor causes randomized velocities to be too cold David A. Case (Sat Jan 18 2003 - 12:53:54 CST)
- High temperature MD A.Madhumalar (Sun Jan 19 2003 - 10:02:41 CST)
- Re: Bug found in sander - incorrect conversion factor causes randomized velocities to be too cold David A. Case (Mon Jan 20 2003 - 01:26:16 CST)
- equilibrated solvent box pu xuemei (Mon Jan 20 2003 - 02:54:33 CST)
- equilibrated solvent box pu xuemei (Mon Jan 20 2003 - 02:55:26 CST)
- Has anyone ever used MEAD? Vlad Cojocaru (Mon Jan 20 2003 - 07:58:30 CST)
- CARNAL Lepsa (Mon Jan 20 2003 - 09:22:22 CST)
- Ewald error Miguel de Federico (Mon Jan 20 2003 - 09:32:21 CST)
- morse potential hagop demirdjian (Mon Jan 20 2003 - 10:22:03 CST)
- script for Potential/kinectic energy Layi Adekoya (Mon Jan 20 2003 - 10:30:09 CST)
- Re: script for Potential/kinectic energy Holger Gohlke (Mon Jan 20 2003 - 10:44:13 CST)
- Re: morse potential David A. Case (Mon Jan 20 2003 - 11:29:59 CST)
- Re: Ewald error David A. Case (Mon Jan 20 2003 - 11:31:49 CST)
- scripts for compiling UHBD/MEAD with amber 7.0 eric hu (Mon Jan 20 2003 - 11:54:37 CST)
- Re: script for Potential/kinectic energy Luis Gracia (Mon Jan 20 2003 - 12:16:52 CST)
- SASA and H-bond over trajectories Bimo Ario Tejo (Mon Jan 20 2003 - 22:59:12 CST)
- Re: CARNAL Lepsa (Tue Jan 21 2003 - 03:33:37 CST)
- Amber tutorial crown-ether Dvira Segal (Tue Jan 21 2003 - 08:06:55 CST)
- (no subject) Anke Eisenmann (Tue Jan 21 2003 - 08:07:25 CST)
- 'hot-solvent' and 'cold solute' problem Stefan Jungblut (Tue Jan 21 2003 - 09:36:37 CST)
- Re: your mail David A. Case (Tue Jan 21 2003 - 10:35:52 CST)
- Re: 'hot-solvent' and 'cold solute' problem David A. Case (Tue Jan 21 2003 - 10:38:14 CST)
- Re: Amber tutorial crown-ether David A. Case (Tue Jan 21 2003 - 10:48:47 CST)
- Re: Polarization charges -geometry David A. Case (Tue Jan 21 2003 - 10:56:07 CST)
- shake and H-O-H angle Luis Gracia (Tue Jan 21 2003 - 10:57:16 CST)
- Re: octahedral volume David A. Case (Tue Jan 21 2003 - 11:03:23 CST)
- pi-pi in AMBER Lepsa (Tue Jan 21 2003 - 11:53:27 CST)
- Probelm with the generation of topology file Jash, Panchatapa (Tue Jan 21 2003 - 12:01:45 CST)
- Re: CARNAL Lepsa (Tue Jan 21 2003 - 12:07:18 CST)
- reduce the disk space eric hu (Tue Jan 21 2003 - 12:48:14 CST)
- average structure generated by carnal eric hu (Tue Jan 21 2003 - 12:53:49 CST)
- Re: shake and H-O-H angle Andreas Svrcek-Seiler (Tue Jan 21 2003 - 13:29:22 CST)
- Re: average structure generated by carnal Peter Gannett (Tue Jan 21 2003 - 14:14:38 CST)
- Re: average structure generated by carnal eric hu (Tue Jan 21 2003 - 15:02:34 CST)
- shake and belly GUILLERMINA L ESTIU (Tue Jan 21 2003 - 15:38:59 CST)
- problems in equilibrating NaCl solution Seongeun Yang (Tue Jan 21 2003 - 16:48:04 CST)
- RE: average structure generated by carnal Kristina Furse (Tue Jan 21 2003 - 19:55:46 CST)
- How to control box size pu xuemei (Wed Jan 22 2003 - 06:58:53 CST)
- Re: average structure generated by carnal Andreas Svrcek-Seiler (Wed Jan 22 2003 - 09:16:53 CST)
- Re: SCSL David A. Case (Wed Jan 22 2003 - 10:37:33 CST)
- Re: equilibrated solvent box David A. Case (Wed Jan 22 2003 - 10:48:12 CST)
- Re: How to control box size David A. Case (Wed Jan 22 2003 - 10:53:02 CST)
- Re: shake and belly David A. Case (Wed Jan 22 2003 - 12:17:22 CST)
- Re: shake and belly GUILLERMINA L ESTIU (Wed Jan 22 2003 - 12:47:30 CST)
- SCSL Joffre Heredia (Wed Jan 22 2003 - 14:23:12 CST)
- Gibbs tutorial question Patricia Burgess (Wed Jan 22 2003 - 14:27:34 CST)
- question on ptraj Ioana Cozmuta (Wed Jan 22 2003 - 15:01:26 CST)
- Re: Gibbs tutorial question David A. Case (Wed Jan 22 2003 - 15:54:10 CST)
- MM_PBSA for Linux Ramón Garduño-Juárez (Wed Jan 22 2003 - 18:53:55 CST)
- LAM-MPI, Oscar and Amber compile Machine.g77_lam-mpi Dr Chris L. Brown (Wed Jan 22 2003 - 21:10:34 CST)
- Dummy-parameters in Amber? meiselba (Thu Jan 23 2003 - 04:39:17 CST)
- Re: Dummy-parameters in Amber? Miguel de Federico (Thu Jan 23 2003 - 05:07:14 CST)
- Re: LAM-MPI, Oscar and Amber compile Machine.g77_lam-mpi Chuck Schneider (Thu Jan 23 2003 - 06:52:41 CST)
- conformational sampling Robert G. Endres (Thu Jan 23 2003 - 08:17:57 CST)
- Re: SCSL Roberto Gomperts (Thu Jan 23 2003 - 09:52:06 CST)
- Proper torsion parameters missing? Heike Meiselbach (Thu Jan 23 2003 - 13:05:05 CST)
- Re: conformational sampling Carlos Simmerling (Thu Jan 23 2003 - 17:45:58 CST)
- Polymers Ndubuisi Emmanuel Okoro (Thu Jan 23 2003 - 21:12:10 CST)
- Chloroform Parameters N. Jiten Singh (Thu Jan 23 2003 - 23:27:24 CST)
- How much is minimum distance pu xuemei (Fri Jan 24 2003 - 01:11:29 CST)
- Re: Proper torsion parameters missing? Miguel de Federico (Fri Jan 24 2003 - 03:27:21 CST)
- Shake problem in organic solvent yuan bo (Fri Jan 24 2003 - 06:03:48 CST)
- RESP-group constraint Artur Galstyan (Fri Jan 24 2003 - 08:38:53 CST)
- Nmode query kinsellg (Fri Jan 24 2003 - 09:00:40 CST)
- Amber Web page. caldwell_at_heimdal.compchem.ucsf.edu (Fri Jan 24 2003 - 10:45:00 CST)
- Zn2+ parameters Xiang, Tian-Xiang (Fri Jan 24 2003 - 15:42:07 CST)
- Re: Shake problem in organic solvent David A. Case (Fri Jan 24 2003 - 15:43:20 CST)
- Re: problems in equilibrating NaCl solution David A. Case (Fri Jan 24 2003 - 16:20:12 CST)
- terminal phosphate group in RNA David A. Case (Fri Jan 24 2003 - 18:03:06 CST)
- Re: problems in equilibrating NaCl solution Seongeun Yang (Fri Jan 24 2003 - 18:13:41 CST)
- Re: Zn2+ parameters Robert G. Endres (Sat Jan 25 2003 - 14:25:36 CST)
- posphinic acid parameters Alfonso Garcia Sosa (Sun Jan 26 2003 - 10:28:11 CST)
- polarization + ewald GUILBAUD Philippe 153683 (Mon Jan 27 2003 - 05:21:44 CST)
- structure image Xiang, Tian-Xiang (Mon Jan 27 2003 - 09:31:46 CST)
- RE: structure image Xiang, Tian-Xiang (Mon Jan 27 2003 - 10:25:34 CST)
- gibbs run Xiang, Tian-Xiang (Mon Jan 27 2003 - 11:05:06 CST)
- lastrst Steve Seibold (Mon Jan 27 2003 - 11:46:57 CST)
- Re: lastrst David A. Case (Mon Jan 27 2003 - 12:33:12 CST)
- Re: gibbs run David A. Case (Mon Jan 27 2003 - 12:38:13 CST)
- crystal structure of DNA/RNA homopolymers Ioana Cozmuta (Mon Jan 27 2003 - 13:34:13 CST)
- Re: crystal structure of DNA/RNA homopolymers David A. Case (Mon Jan 27 2003 - 13:48:35 CST)
- Re: crystal structure of DNA/RNA homopolymers Ioana Cozmuta (Mon Jan 27 2003 - 13:54:18 CST)
- compiling amber on myrinet Scott E. Boesch (Mon Jan 27 2003 - 14:12:31 CST)
- freeware to visualize RMSD matrices creatde with Carnal Vlad Cojocaru (Mon Jan 27 2003 - 16:41:00 CST)
- xleap in Amber7 arubin_at_unmc.edu (Mon Jan 27 2003 - 18:54:46 CST)
- xleap in Amber7 arubin_at_unmc.edu (Mon Jan 27 2003 - 18:56:16 CST)
- Re: polarization + ewald darden (Mon Jan 27 2003 - 18:58:10 CST)
- Re: structure image A.Madhumalar (Mon Jan 27 2003 - 19:51:35 CST)
- Question: about restarting Energy vannajan_at_chiangmai.ac.th (Mon Jan 27 2003 - 19:53:30 CST)
- Re: Question: about restarting Energy David A. Case (Mon Jan 27 2003 - 20:33:14 CST)
- single point mutations to investigate the conformational change Sichun Yang (Mon Jan 27 2003 - 21:43:29 CST)
- Intramolecular H-bonds in charge fitting Lepsa (Tue Jan 28 2003 - 03:05:58 CST)
- script for H-bonds extracting Bimo Ario Tejo (Tue Jan 28 2003 - 04:00:52 CST)
- 2drms command in ptraj Vlad Cojocaru (Tue Jan 28 2003 - 06:52:17 CST)
- mm-pbsa error message Thomas Steinbrecher (Tue Jan 28 2003 - 09:02:04 CST)
- RE: Intramolecular H-bonds in charge fitting Bayly, Christopher (Tue Jan 28 2003 - 09:35:14 CST)
- one question Fan Gao (Tue Jan 28 2003 - 10:14:56 CST)
- Re: one question Lepsa (Tue Jan 28 2003 - 10:16:05 CST)
- Re: one question Holger Gohlke (Tue Jan 28 2003 - 10:17:02 CST)
- RE: script for H-bonds extracting Bayly, Christopher (Tue Jan 28 2003 - 12:40:53 CST)
- gibbs calculation Xiang, Tian-Xiang (Tue Jan 28 2003 - 13:03:44 CST)
- Re: gibbs calculation David A. Case (Tue Jan 28 2003 - 14:03:37 CST)
- MM_PBSA Lepsa (Wed Jan 29 2003 - 07:12:34 CST)
- naphthalene, anthracene force field yuann (Wed Jan 29 2003 - 08:58:47 CST)
- antechamber and gamess Arvid Soederhaell (Wed Jan 29 2003 - 09:08:00 CST)
- Re: MM_PBSA Holger Gohlke (Wed Jan 29 2003 - 09:24:58 CST)
- antechamber and gamess David A. Case (Wed Jan 29 2003 - 10:16:03 CST)
- mm_pbsa and ALA scan Ahammadunny Pathiaseril (Wed Jan 29 2003 - 10:24:06 CST)
- Re: mm_pbsa and ALA scan Lepsa (Wed Jan 29 2003 - 10:31:41 CST)
- Polymers Ndubuisi Emmanuel Okoro (Wed Jan 29 2003 - 15:40:53 CST)
- Request johneluwa_at_eircom.net (Wed Jan 29 2003 - 20:42:28 CST)
- Re: High temperature MD Lepsa (Thu Jan 30 2003 - 01:27:19 CST)
- new amino acid residues Nick Polfer (Thu Jan 30 2003 - 06:58:41 CST)
- mm-pbsa problem & possible solution Thomas Steinbrecher (Thu Jan 30 2003 - 09:51:57 CST)
- Re: mm-pbsa problem & possible solution Holger Gohlke (Thu Jan 30 2003 - 11:22:39 CST)
- Re: new amino acid residues David A. Case (Thu Jan 30 2003 - 11:46:35 CST)
- Quasi-harmonic analysis Pratul Agarwal (Thu Jan 30 2003 - 17:48:22 CST)
- Re: Quasi-harmonic analysis David A. Case (Thu Jan 30 2003 - 19:58:32 CST)
- ptraj distanse question Sichun Yang (Thu Jan 30 2003 - 22:16:06 CST)
- ptraj on Methane in water box Dvira Segal (Fri Jan 31 2003 - 04:45:03 CST)
- Re: ptraj distanse question Lepsa (Fri Jan 31 2003 - 06:16:25 CST)
- AMBER7 & mpich FyD (Fri Jan 31 2003 - 08:05:41 CST)
- Re: AMBER7 & mpich Viktor Hornak (Fri Jan 31 2003 - 09:12:37 CST)
- roar-cp : input for QM part ; output for CM2 charges hagop demirdjian (Fri Jan 31 2003 - 09:38:29 CST)
- Domain/Helix movement/MD Jianhui Wu (Fri Jan 31 2003 - 10:35:18 CST)
- Re: Domain/Helix movement/MD Lepsa (Fri Jan 31 2003 - 10:52:59 CST)
- Re: Quasi-harmonic analysis Miyashita, Osamu (Fri Jan 31 2003 - 12:25:23 CST)
- Re: Domain/Helix movement/MD Pratul Agarwal (Fri Jan 31 2003 - 15:00:54 CST)
- Re: Gibbs, ewald and ifc David A. Case (Fri Jan 31 2003 - 15:56:25 CST)
- Gibbs, ewald and ifc David Smith (Fri Jan 31 2003 - 16:16:14 CST)
- question about ligand Lishan Yao (Fri Jan 31 2003 - 16:43:39 CST)
- Re: question about ligand David A. Case (Fri Jan 31 2003 - 17:14:41 CST)
- Gibbs dummy atom Paula Petrone (Fri Jan 31 2003 - 17:49:52 CST)
Last message date: Fri Feb 06 2004 - 10:15:04 CST
Archived on: Thu May 05 2005 - 14:17:43 CDT
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