AMBER Archive (2003) - Aug 2003 By DateMost recent messages
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Starting: Fri Aug 01 2003 - 01:12:33 CDT
Ending: Fri Aug 29 2003 - 16:32:55 CDT
- AMBER: parallelisation gold gunaseelan (Fri Aug 01 2003 - 01:13:21 CDT)
- AMBER: parallelisation gold gunaseelan (Fri Aug 01 2003 - 01:12:33 CDT)
- AMBER: Amber parallelisation arun prasad (Fri Aug 01 2003 - 04:15:05 CDT)
- AMBER: Problem generating .tpp and .rst files for a complex Yogesh Sabnis (Fri Aug 01 2003 - 05:57:07 CDT)
- AMBER: Restrain of dihedral angle! Marco Aurelio Correia Preto (Fri Aug 01 2003 - 05:59:08 CDT)
- RE: AMBER: parallelisation Yong Duan (Fri Aug 01 2003 - 07:21:36 CDT)
- RE: AMBER: Amber parallelisation Yong Duan (Fri Aug 01 2003 - 07:28:31 CDT)
- AMBER: RE: Restrain of dihedral angle! Yong Duan (Fri Aug 01 2003 - 08:27:04 CDT)
- Re: AMBER: Amber parallelisation David A. Case (Fri Aug 01 2003 - 10:18:17 CDT)
- Re: AMBER: Problem generating .tpp and .rst files for a complex David A. Case (Fri Aug 01 2003 - 10:32:24 CDT)
- Re: AMBER: Restrain of dihedral angle! Luis Gracia (Fri Aug 01 2003 - 11:14:21 CDT)
- AMBER: AMBER7 & mpich takanori.kanazawa_at_pharma.novartis.com (Sat Aug 02 2003 - 07:17:52 CDT)
- Re: AMBER: AMBER7 & mpich Carlos Simmerling (Sat Aug 02 2003 - 07:53:26 CDT)
- AMBER: AMBER7 & mpich : (no-attachment version) takanori.kanazawa_at_pharma.novartis.com (Sat Aug 02 2003 - 08:03:06 CDT)
- Re: AMBER: AMBER7 & mpich : (no-attachment version) Natasja Brooijmans (Sat Aug 02 2003 - 13:24:59 CDT)
- Re: AMBER: AMBER7 & mpich : (no-attachment version) David A. Case (Sat Aug 02 2003 - 15:30:00 CDT)
- AMBER: xplor2amber Mahadevan Seetharaman (Sat Aug 02 2003 - 21:35:48 CDT)
- AMBER: xplor2amber Mahadevan Seetharaman (Sat Aug 02 2003 - 21:34:24 CDT)
- AMBER: charge method of antechamber Helios Chen (Sun Aug 03 2003 - 23:00:35 CDT)
- AMBER: sanderparallel gold gunaseelan (Mon Aug 04 2003 - 02:32:48 CDT)
- RE: AMBER: Restrain of dihedral angle! Marco Aurelio Correia Preto (Mon Aug 04 2003 - 04:15:22 CDT)
- AMBER: separate thermostats for different molecules Arvid Soederhaell (Mon Aug 04 2003 - 08:13:11 CDT)
- Re: AMBER: charge method of antechamber Junmei Wang (Mon Aug 04 2003 - 09:39:58 CDT)
- AMBER: normal mode analysis Marcela Madrid (Mon Aug 04 2003 - 13:03:23 CDT)
- AMBER: Re: AMBER7 & mpich : (no-attachment version) takanori.kanazawa_at_pharma.novartis.com (Mon Aug 04 2003 - 18:51:17 CDT)
- Re: AMBER: normal mode analysis David A. Case (Tue Aug 05 2003 - 00:12:36 CDT)
- Re: AMBER: separate thermostats for different molecules David A. Case (Tue Aug 05 2003 - 00:19:02 CDT)
- Re: AMBER: charge method of antechamber David A. Case (Tue Aug 05 2003 - 00:24:00 CDT)
- AMBER: (no subject) Narang Manpreet Kaur (Tue Aug 05 2003 - 08:55:57 CDT)
- AMBER: parallelisation gold gunaseelan (Tue Aug 05 2003 - 08:55:31 CDT)
- AMBER: zero free energy change for nonbond leg of electrst. decoupling Alfonso Garcia Sosa (Tue Aug 05 2003 - 09:03:59 CDT)
- Re: AMBER: (no subject) David A. Case (Tue Aug 05 2003 - 14:32:56 CDT)
- Re: AMBER: zero free energy change for nonbond leg of electrst. decoupling David A. Case (Tue Aug 05 2003 - 14:39:22 CDT)
- AMBER: compile problem? Shuang Ding (Tue Aug 05 2003 - 15:51:25 CDT)
- Re: AMBER: zero free energy change for nonbond leg of electrst. decoupling Alfonso Garcia Sosa (Tue Aug 05 2003 - 16:12:10 CDT)
- Re: AMBER: parallelisation Jian Zhang (Wed Aug 06 2003 - 07:39:22 CDT)
- AMBER: Comparing PE of different conformations Pratul K. Agarwal (Wed Aug 06 2003 - 11:14:03 CDT)
- Re: AMBER: Comparing PE of different conformations Carlos Simmerling (Wed Aug 06 2003 - 11:33:42 CDT)
- Re: AMBER: Comparing PE of different conformations Pratul K. Agarwal (Wed Aug 06 2003 - 11:40:16 CDT)
- Re: AMBER: Comparing PE of different conformations Carlos Simmerling (Wed Aug 06 2003 - 11:45:53 CDT)
- AMBER: problem regarding surface Vikas Varshney (Wed Aug 06 2003 - 12:00:09 CDT)
- AMBER: anal - memory problem sd233_at_georgetown.edu (Wed Aug 06 2003 - 12:02:44 CDT)
- Re: AMBER: anal - memory problem David A. Case (Wed Aug 06 2003 - 14:00:32 CDT)
- AMBER: SHAKE Problem Richard Smith (Wed Aug 06 2003 - 15:02:30 CDT)
- Re: AMBER: SHAKE Problem Xavier Periole (Wed Aug 06 2003 - 15:26:05 CDT)
- AMBER: Re: dynamics of isolated system (fwd) David A. Case (Wed Aug 06 2003 - 16:43:29 CDT)
- Re: AMBER: SHAKE Problem David A. Case (Wed Aug 06 2003 - 16:52:21 CDT)
- Re: AMBER: Re: AMBER7 & mpich : (no-attachment version) takanori.kanazawa_at_pharma.novartis.com (Wed Aug 06 2003 - 23:11:30 CDT)
- AMBER: references about AMBER MD simulations sd233_at_georgetown.edu (Thu Aug 07 2003 - 00:23:35 CDT)
- Re: AMBER: references about AMBER MD simulations David A. Case (Thu Aug 07 2003 - 01:21:05 CDT)
- Re: AMBER: Re: AMBER7 & mpich : (no-attachment version) Scott Brozell (Thu Aug 07 2003 - 02:40:06 CDT)
- AMBER: about the npscal, box size changes and rms Haizhen Zhong (Thu Aug 07 2003 - 09:05:08 CDT)
- RE: AMBER: SHAKE Problem Richard Smith (Thu Aug 07 2003 - 09:42:56 CDT)
- AMBER: 2D periodic box Vikas Varshney (Thu Aug 07 2003 - 09:50:20 CDT)
- AMBER: one more line about the npscal, box size changes and rms Haizhen Zhong (Thu Aug 07 2003 - 09:58:31 CDT)
- Re: AMBER: references about AMBER MD simulations sd233_at_georgetown.edu (Thu Aug 07 2003 - 10:04:39 CDT)
- Re: AMBER: one more line about the npscal, box size changes and rms Andy Purkiss (Thu Aug 07 2003 - 10:30:25 CDT)
- a bug? Re: AMBER: one more line about the npscal, box size changes and rms Dr. Yong Duan (Thu Aug 07 2003 - 10:49:10 CDT)
- Re: AMBER: 2D periodic box David A. Case (Thu Aug 07 2003 - 11:28:09 CDT)
- Re: AMBER: 2D periodic box Teletchéa Stéphane (Thu Aug 07 2003 - 11:52:01 CDT)
- Re: AMBER: PMEMD and sander from AMBER6 performances Teletchéa Stéphane (Thu Aug 07 2003 - 11:55:03 CDT)
- Re: AMBER: 2D periodic box Ioana Cozmuta (Thu Aug 07 2003 - 12:00:22 CDT)
- Re: a bug? Re: AMBER: one more line about the npscal, box size changes and rms Haizhen Zhong (Thu Aug 07 2003 - 12:54:17 CDT)
- AMBER: mpi in mm-pbsa Shuang Ding (Thu Aug 07 2003 - 12:57:03 CDT)
- Re: AMBER: Comparing PE of different conformations Pratul K. Agarwal (Thu Aug 07 2003 - 13:21:07 CDT)
- Re: a bug? Re: AMBER: one more line about the npscal, box size changes and rms David A. Case (Thu Aug 07 2003 - 13:35:46 CDT)
- RE: a bug? Re: AMBER: one more line about the npscal, box size changes and rms Yong Duan (Thu Aug 07 2003 - 13:49:39 CDT)
- Re: AMBER: PMEMD and sander from AMBER6 performances Robert Duke (Thu Aug 07 2003 - 14:01:39 CDT)
- AMBER: import pdb file in xleap Mi-Kyung Seo (Thu Aug 07 2003 - 14:07:17 CDT)
- Re: AMBER: import pdb file in xleap Vikas Varshney (Thu Aug 07 2003 - 14:21:32 CDT)
- Re: AMBER: mpi in mm-pbsa Holger Gohlke (Thu Aug 07 2003 - 14:22:53 CDT)
- AMBER: more than 100,000 atoms ? David Smith (Thu Aug 07 2003 - 14:44:23 CDT)
- Re: AMBER: Comparing PE of different conformations Carlos Simmerling (Thu Aug 07 2003 - 14:57:11 CDT)
- Re: AMBER: mpi in mm-pbsa Shuang Ding (Thu Aug 07 2003 - 15:14:53 CDT)
- Re: AMBER: more than 100,000 atoms ? Robert Duke (Thu Aug 07 2003 - 15:33:36 CDT)
- Re: AMBER: more than 100,000 atoms ? darden (Thu Aug 07 2003 - 16:23:25 CDT)
- AMBER: PMEMD and EAMBER Kristina Furse (Thu Aug 07 2003 - 15:32:45 CDT)
- Re: AMBER: PMEMD and EAMBER Robert Duke (Thu Aug 07 2003 - 16:06:11 CDT)
- AMBER: About the limitation of characters on one line in carnal input fi le Ming Lei (Thu Aug 07 2003 - 16:16:26 CDT)
- Re: AMBER: import pdb file in xleap David A. Case (Thu Aug 07 2003 - 16:30:51 CDT)
- Re: AMBER: About the limitation of characters on one line in carnal input fi le Bill Ross (Thu Aug 07 2003 - 17:01:40 CDT)
- AMBER: Insight pdb file in xleap Mi-Kyung Seo (Thu Aug 07 2003 - 18:09:47 CDT)
- Re: AMBER: import pdb file in xleap Scott Brozell (Thu Aug 07 2003 - 18:25:18 CDT)
- Re: AMBER: Insight pdb file in xleap Rhonda Torres (Thu Aug 07 2003 - 18:29:47 CDT)
- RE: AMBER: Insight pdb file in xleap Yong Duan (Thu Aug 07 2003 - 18:35:03 CDT)
- Re: AMBER: About the limitation of characters on one line in carnal input fi le Bill Ross (Thu Aug 07 2003 - 16:31:39 CDT)
- AMBER: Insight pdb file in xleap Wayne Dawson (Thu Aug 07 2003 - 21:33:26 CDT)
- AMBER: saveamberprep in xLeap Mi-Kyung Seo (Thu Aug 07 2003 - 22:38:24 CDT)
- Re: AMBER: Insight pdb file in xleap Gaurav Sahni (Fri Aug 08 2003 - 01:25:42 CDT)
- AMBER: derive corresponding torsional parameters yuann (Fri Aug 08 2003 - 05:25:31 CDT)
- AMBER: Reference for Amber7 heme parameters Ross Walker (Fri Aug 08 2003 - 06:41:30 CDT)
- Re: AMBER: derive corresponding torsional parameters David Smith (Fri Aug 08 2003 - 08:39:57 CDT)
- AMBER: water model tianxiao yang (Fri Aug 08 2003 - 10:10:04 CDT)
- Re: AMBER: more than 100,000 atoms ? David Smith (Fri Aug 08 2003 - 10:17:39 CDT)
- Re: AMBER: Reference for Amber7 heme parameters David A. Case (Fri Aug 08 2003 - 10:23:46 CDT)
- Re[2]: AMBER: derive corresponding torsional parameters sychen (Fri Aug 08 2003 - 10:43:43 CDT)
- Re: Re[2]: AMBER: derive corresponding torsional parameters David Smith (Fri Aug 08 2003 - 11:20:32 CDT)
- Re: AMBER: saveamberprep in xLeap David A. Case (Fri Aug 08 2003 - 11:38:34 CDT)
- AMBER: saveamberprep and saveoff in xLeap Mi-Kyung Seo (Fri Aug 08 2003 - 12:39:37 CDT)
- RE: AMBER: more than 100,000 atoms ? Kristina Furse (Fri Aug 08 2003 - 13:14:10 CDT)
- RE: AMBER: PMEMD and EAMBER Kristina Furse (Fri Aug 08 2003 - 13:33:28 CDT)
- AMBER: PMEMD NMR Restraints fix Robert Duke (Fri Aug 08 2003 - 17:13:08 CDT)
- AMBER: MD simulation with ATP and MG Thomas Steinbrecher (Mon Aug 11 2003 - 04:45:08 CDT)
- Re: AMBER: MD simulation with ATP and MG Heather A.Carlson (Mon Aug 11 2003 - 07:11:27 CDT)
- Re: Fw: AMBER: PMEMD and EAMBER Robert Duke (Mon Aug 11 2003 - 08:49:36 CDT)
- AMBER: machine dependent? Shuang Ding (Mon Aug 11 2003 - 13:39:10 CDT)
- Re: AMBER: machine dependent? David A. Case (Mon Aug 11 2003 - 15:46:14 CDT)
- AMBER: GLYCAM Herbert Georg (Mon Aug 11 2003 - 15:57:37 CDT)
- AMBER: How to develop parameters for metallic atoms Gustavo A. Carri (Mon Aug 11 2003 - 16:11:19 CDT)
- Re: AMBER: machine dependent? Shuang Ding (Mon Aug 11 2003 - 17:01:38 CDT)
- AMBER: "irstrnt=1"in input file for RESP Mi-Kyung Seo (Mon Aug 11 2003 - 17:26:30 CDT)
- Re: AMBER: machine dependent? Michael Crowley (Tue Aug 12 2003 - 09:24:58 CDT)
- Re: AMBER: machine dependent? Shuang Ding (Tue Aug 12 2003 - 13:48:00 CDT)
- AMBER: question to calculate diffusion coefficient under periodic boundary conditions. Margaret S. Cheung (Tue Aug 12 2003 - 13:56:47 CDT)
- Re: AMBER: question to calculate diffusion coefficient under periodic boundary conditions. David A. Case (Tue Aug 12 2003 - 14:23:55 CDT)
- Re: AMBER: question to calculate diffusion coefficient under periodic boundary conditions. Thomas E. Cheatham, III (Tue Aug 12 2003 - 14:32:36 CDT)
- AMBER: constant energy simulation Lishan Yao (Tue Aug 12 2003 - 14:38:49 CDT)
- Re: AMBER: question to calculate diffusion coefficient under periodic boundary conditions. Margaret S. Cheung (Tue Aug 12 2003 - 14:46:24 CDT)
- Re: AMBER: constant energy simulation Xavier Periole (Tue Aug 12 2003 - 14:51:24 CDT)
- Re: AMBER: constant energy simulation Lishan Yao (Tue Aug 12 2003 - 17:25:37 CDT)
- Re: AMBER: constant energy simulation Xavier Periole (Tue Aug 12 2003 - 17:39:29 CDT)
- AMBER: Antechamber functionality, MOL2 files bigbrainstorm (Tue Aug 12 2003 - 21:50:40 CDT)
- AMBER: secondary structure Yuguang Mu (Wed Aug 13 2003 - 07:37:08 CDT)
- Re: AMBER: constant energy simulation Lishan Yao (Wed Aug 13 2003 - 08:00:20 CDT)
- Re: AMBER: constant energy simulation Andreas Svrcek-Seiler (Wed Aug 13 2003 - 08:50:32 CDT)
- Re: AMBER: secondary structure Holger Gohlke (Wed Aug 13 2003 - 09:55:22 CDT)
- Re: AMBER: constant energy simulation Lishan Yao (Wed Aug 13 2003 - 10:07:29 CDT)
- Re: AMBER: Antechamber functionality, MOL2 files Junmei Wang (Wed Aug 13 2003 - 10:06:47 CDT)
- Re: AMBER: constant energy simulation David A. Case (Wed Aug 13 2003 - 10:46:52 CDT)
- Re: AMBER: constant energy simulation Lishan Yao (Wed Aug 13 2003 - 11:09:14 CDT)
- Re: AMBER: Antechamber functionality, MOL2 files Junmei Wang (Wed Aug 13 2003 - 11:28:03 CDT)
- Re: AMBER: Antechamber functionality, MOL2 files bigbrainstorm (Wed Aug 13 2003 - 11:20:09 CDT)
- AMBER: amber-on-cheetah-question Endres, Robert G. (Wed Aug 13 2003 - 14:20:10 CDT)
- AMBER: ANAL component sd233_at_georgetown.edu (Wed Aug 13 2003 - 16:36:56 CDT)
- AMBER: Atom type in prepin file Yong-Liang Zhu (Wed Aug 13 2003 - 17:21:28 CDT)
- Re: AMBER: Atom type in prepin file Rhonda Torres (Wed Aug 13 2003 - 17:38:26 CDT)
- AMBER: complete pdb structure Mi-Kyung Seo (Wed Aug 13 2003 - 17:41:52 CDT)
- Re: AMBER: ANAL component David A. Case (Wed Aug 13 2003 - 17:45:36 CDT)
- Re: AMBER: constant energy simulation David A. Case (Wed Aug 13 2003 - 17:52:56 CDT)
- RE: AMBER: Atom type in prepin file - new problem Yong-Liang Zhu (Wed Aug 13 2003 - 18:05:01 CDT)
- RE: AMBER: Atom type in prepin file - new problem John Bushnell (Wed Aug 13 2003 - 19:01:21 CDT)
- Re: AMBER: complete pdb structure David A. Case (Thu Aug 14 2003 - 00:30:08 CDT)
- AMBER: modelling a Ca binding site Karsten Suhre (Thu Aug 14 2003 - 04:36:53 CDT)
- AMBER: simulating a crystal using the unit cell Sarah Wittkopp (Thu Aug 14 2003 - 06:09:07 CDT)
- Re: AMBER: simulating a crystal using the unit cell David A. Case (Thu Aug 14 2003 - 10:40:42 CDT)
- Re: AMBER: constant energy simulation Lishan Yao (Thu Aug 14 2003 - 10:53:13 CDT)
- Re: AMBER: simulating a crystal using the unit cell Joseph Nachman (Thu Aug 14 2003 - 11:01:34 CDT)
- Re: AMBER: modelling a Ca binding site Xavier Periole (Thu Aug 14 2003 - 12:07:26 CDT)
- AMBER: minimization error Venkata S Koppuravuri (Thu Aug 14 2003 - 13:23:39 CDT)
- Re: AMBER: minimization error Xavier Periole (Thu Aug 14 2003 - 13:38:39 CDT)
- Re: AMBER: minimization error David A. Case (Thu Aug 14 2003 - 13:41:43 CDT)
- AMBER: How to add new atom type. Yong-Liang Zhu (Thu Aug 14 2003 - 14:49:49 CDT)
- RE: AMBER: minimization error Yong Duan (Thu Aug 14 2003 - 15:56:54 CDT)
- AMBER: Problems with extra points on parralellized linux and sgi machine Sarah Wittkopp (Fri Aug 15 2003 - 02:07:11 CDT)
- Re: AMBER: modelling a Ca binding site Karsten Suhre (Fri Aug 15 2003 - 04:44:09 CDT)
- AMBER: Hydrogen bond plot from carnal Layi Adekoya (Fri Aug 15 2003 - 05:16:02 CDT)
- AMBER: Gibbs pmf calculation Lishan Yao (Fri Aug 15 2003 - 10:35:51 CDT)
- Re: AMBER: Problems with extra points on parralellized linux and sgi machine David A. Case (Fri Aug 15 2003 - 11:17:15 CDT)
- Re: AMBER: Gibbs pmf calculation David A. Case (Fri Aug 15 2003 - 11:51:07 CDT)
- AMBER: protonation states of small molecules Lee, Matthew (Fri Aug 15 2003 - 13:33:40 CDT)
- AMBER: NTX 5 or 7 after equilibration in constant pressure? Majid moghaddam (Sat Aug 16 2003 - 02:08:38 CDT)
- AMBER: Is NTC=2 correct for minimization when hydrogens are added? Majid moghaddam (Sat Aug 16 2003 - 03:00:04 CDT)
- Re: AMBER: Is NTC=2 correct for minimization when hydrogens are added? Alexey Onufriev (Sat Aug 16 2003 - 11:37:35 CDT)
- AMBER: minimum image convention mystery Martin Mucha (Sat Aug 16 2003 - 15:42:37 CDT)
- Re: AMBER: minimum image convention mystery David A. Case (Sat Aug 16 2003 - 19:02:03 CDT)
- Re: AMBER: NTX 5 or 7 after equilibration in constant pressure? David A. Case (Sat Aug 16 2003 - 19:04:18 CDT)
- AMBER: large changes in xyz coordinates Sivakolundu, Sivashankar (Sat Aug 16 2003 - 20:06:14 CDT)
- Re: AMBER: large changes in xyz coordinates David A. Case (Sat Aug 16 2003 - 23:07:25 CDT)
- Re: AMBER: question to calculate diffusion coefficient under periodic boundary conditions. Ioana Cozmuta (Sun Aug 17 2003 - 22:08:00 CDT)
- AMBER: AMBER 7_make install Krishna Bisetty (Mon Aug 18 2003 - 02:36:37 CDT)
- AMBER: Hydrogen bond plot from carnal Layi Adekoya (Mon Aug 18 2003 - 02:51:51 CDT)
- Re: AMBER: Problems with extra points on parralellized linux and sgi machine Sarah Wittkopp (Mon Aug 18 2003 - 02:33:36 CDT)
- AMBER: united atom weiner force field sohail qamar (Mon Aug 18 2003 - 05:46:18 CDT)
- Re: AMBER: charge method of antechamber Helios Chen (Mon Aug 18 2003 - 07:39:18 CDT)
- AMBER: MM-GB/PBSA:Main-chain/side-chain decomposition in ligands Martin Lepsik (Mon Aug 18 2003 - 08:12:51 CDT)
- Re: AMBER: charge method of antechamber(it's ok) Helios Chen (Mon Aug 18 2003 - 08:15:28 CDT)
- Re: AMBER: charge method of antechamber(it's ok) Junmei Wang (Mon Aug 18 2003 - 09:26:41 CDT)
- Re: AMBER: Problems with extra points on parralellized linux and sgi machine David A. Case (Mon Aug 18 2003 - 10:08:57 CDT)
- Re: AMBER: AMBER 7_make install David A. Case (Mon Aug 18 2003 - 10:16:20 CDT)
- AMBER: pmemd james tomomi macdonald (Mon Aug 18 2003 - 10:18:47 CDT)
- Re: AMBER: united atom weiner force field David A. Case (Mon Aug 18 2003 - 10:21:03 CDT)
- Re: AMBER: pmemd Robert Duke (Mon Aug 18 2003 - 10:45:47 CDT)
- Re: AMBER: MM-GB/PBSA:Main-chain/side-chain decomposition in ligands Holger Gohlke (Mon Aug 18 2003 - 10:50:49 CDT)
- Re: AMBER: pmemd james tomomi macdonald (Mon Aug 18 2003 - 11:05:20 CDT)
- Re: AMBER: united atom weiner force field Bill Ross (Mon Aug 18 2003 - 11:12:49 CDT)
- Re: AMBER: pmemd Robert Duke (Mon Aug 18 2003 - 11:51:16 CDT)
- AMBER: tleap under amber6 Qiang Lu (Mon Aug 18 2003 - 12:32:05 CDT)
- AMBER: nmanal in amber7 Qiang Lu (Mon Aug 18 2003 - 12:41:42 CDT)
- RE: AMBER: large changes in xyz coordinates Sivakolundu, Sivashankar (Mon Aug 18 2003 - 12:51:49 CDT)
- AMBER: ptraj problem Lishan Yao (Mon Aug 18 2003 - 13:22:43 CDT)
- RE: AMBER: large changes in xyz coordinates Kristina Furse (Mon Aug 18 2003 - 13:26:27 CDT)
- RE: AMBER: large changes in xyz coordinates james tomomi macdonald (Mon Aug 18 2003 - 13:35:18 CDT)
- Re: AMBER: nmanal in amber7 David A. Case (Mon Aug 18 2003 - 13:44:20 CDT)
- Re: AMBER: tleap under amber6 David A. Case (Mon Aug 18 2003 - 13:48:19 CDT)
- Re[2]: AMBER: nmanal in amber7 Qiang Lu (Mon Aug 18 2003 - 14:17:30 CDT)
- Re: AMBER: pmemd james tomomi macdonald (Mon Aug 18 2003 - 14:52:32 CDT)
- Re: AMBER: nmanal in amber7 David A. Case (Mon Aug 18 2003 - 14:54:04 CDT)
- AMBER: overlap problem Ioana Cozmuta (Mon Aug 18 2003 - 16:26:57 CDT)
- AMBER: nmanal's error message Qiang Lu (Mon Aug 18 2003 - 17:23:20 CDT)
- Re: AMBER: nmanal's error message David Case (Mon Aug 18 2003 - 18:24:11 CDT)
- Re[2]: AMBER: nmanal's error message Qiang Lu (Mon Aug 18 2003 - 19:10:29 CDT)
- AMBER: prepin file Helios Chen (Tue Aug 19 2003 - 01:53:27 CDT)
- AMBER: temperature does not reach to temp0 Majid moghaddam (Tue Aug 19 2003 - 07:32:43 CDT)
- AMBER: ptraj problem Lishan Yao (Tue Aug 19 2003 - 16:08:02 CDT)
- AMBER: nmanal's rvec file Qiang Lu (Tue Aug 19 2003 - 18:19:27 CDT)
- Re: AMBER: nmanal's rvec file David A. Case (Tue Aug 19 2003 - 21:00:19 CDT)
- Re: AMBER: prepin file David A. Case (Tue Aug 19 2003 - 10:45:30 CDT)
- Re: AMBER: temperature does not reach to temp0 David A. Case (Tue Aug 19 2003 - 10:47:15 CDT)
- Re: AMBER: overlap problem Xavier Periole (Tue Aug 19 2003 - 11:23:45 CDT)
- AMBER: minimization termination sd233_at_georgetown.edu (Tue Aug 19 2003 - 12:40:53 CDT)
- AMBER: PARMSET problem Yichen Cao (Wed Aug 20 2003 - 12:07:29 CDT)
- Re: AMBER: PARMSET problem Junmei Wang (Wed Aug 20 2003 - 13:06:00 CDT)
- AMBER: PMEMD 3.01 Update available Robert Duke (Wed Aug 20 2003 - 13:36:56 CDT)
- AMBER: antechamber problem Qiang Lu (Wed Aug 20 2003 - 13:56:14 CDT)
- Re: AMBER: ptraj problem Thomas E. Cheatham, III (Wed Aug 20 2003 - 14:00:57 CDT)
- AMBER: gibbs pmf calculation Lishan Yao (Wed Aug 20 2003 - 14:24:29 CDT)
- Re: AMBER: antechamber problem David A. Case (Wed Aug 20 2003 - 17:07:30 CDT)
- Re: AMBER: gibbs pmf calculation David A. Case (Wed Aug 20 2003 - 17:13:23 CDT)
- Re[2]: AMBER: antechamber problem Qiang Lu (Wed Aug 20 2003 - 17:17:30 CDT)
- Re[2]: AMBER: antechamber problem Natasja Brooijmans (Wed Aug 20 2003 - 17:26:58 CDT)
- AMBER: NTT Herbert Georg (Thu Aug 21 2003 - 11:31:06 CDT)
- Re: AMBER: NTT Herbert Georg (Thu Aug 21 2003 - 14:48:17 CDT)
- Re: Re[2]: AMBER: antechamber problem Junmei Wang (Thu Aug 21 2003 - 15:16:02 CDT)
- Re: Re[2]: AMBER: antechamber problem David A. Case (Thu Aug 21 2003 - 18:34:17 CDT)
- AMBER: The FCAP parameter in amber7 Thomas Steinbrecher (Fri Aug 22 2003 - 04:21:35 CDT)
- Re: Re[2]: AMBER: antechamber problem Junmei Wang (Fri Aug 22 2003 - 10:03:23 CDT)
- AMBER: problems with pmemd james tomomi macdonald (Fri Aug 22 2003 - 10:37:34 CDT)
- Re: AMBER: problems with pmemd Robert Duke (Fri Aug 22 2003 - 11:45:47 CDT)
- AMBER: PMEMD BUG ALERT!!! Robert Duke (Fri Aug 22 2003 - 15:50:02 CDT)
- AMBER: Spartan and AMBER7 Peter Oelschlaeger (Fri Aug 22 2003 - 21:52:21 CDT)
- AMBER: Questions on Phi, Psi angles produced by pmemd/sander7 Chen, Ya (Fri Aug 22 2003 - 23:47:21 CDT)
- Re: AMBER: Questions on Phi, Psi angles produced by pmemd/sander7 Robert Duke (Sat Aug 23 2003 - 07:41:49 CDT)
- Re: AMBER: Questions on Phi, Psi angles produced by pmemd/sander7 Robert Duke (Sat Aug 23 2003 - 09:41:42 CDT)
- Fw: AMBER: Questions on Phi, Psi angles produced by pmemd/sander7 Robert Duke (Sat Aug 23 2003 - 22:44:06 CDT)
- Re: AMBER: gibbs pmf calculation Lishan Yao (Mon Aug 25 2003 - 08:16:03 CDT)
- Re: AMBER: ptraj problem Lishan Yao (Mon Aug 25 2003 - 08:23:10 CDT)
- AMBER: temperature problem Lishan Yao (Mon Aug 25 2003 - 08:37:01 CDT)
- AMBER: CARNAL Wen Li (Mon Aug 25 2003 - 09:30:19 CDT)
- Re: AMBER: gibbs pmf calculation David A. Case (Mon Aug 25 2003 - 10:25:27 CDT)
- RE: AMBER: CARNAL Ming Lei (Mon Aug 25 2003 - 14:27:42 CDT)
- RE: AMBER: CARNAL Bill Ross (Mon Aug 25 2003 - 14:40:29 CDT)
- Re: AMBER: ptraj problem Bill Ross (Mon Aug 25 2003 - 14:14:23 CDT)
- RE: AMBER: CARNAL Ming Lei (Mon Aug 25 2003 - 15:12:50 CDT)
- AMBER: Re: apparent PMEMD bug -- NTWPRT > 0 & IWRAP = 1 Robert Duke (Mon Aug 25 2003 - 14:20:48 CDT)
- AMBER: Apparent PMEMD bug -- NTWPRT > 0 & IWRAP = 1 Robert Duke (Mon Aug 25 2003 - 15:41:08 CDT)
- RE: AMBER: CARNAL Bill Ross (Mon Aug 25 2003 - 15:45:13 CDT)
- Re: AMBER: gibbs pmf calculation Lishan Yao (Mon Aug 25 2003 - 16:06:29 CDT)
- Re: AMBER: Questions on Phi, Psi angles produced by pmemd/sander7 Robert Duke (Mon Aug 25 2003 - 16:33:38 CDT)
- Re: AMBER: gibbs pmf calculation David A. Case (Mon Aug 25 2003 - 18:07:16 CDT)
- Re: AMBER: The FCAP parameter in amber7 David A. Case (Mon Aug 25 2003 - 18:59:45 CDT)
- Re: AMBER: CARNAL Bill Ross (Mon Aug 25 2003 - 14:04:56 CDT)
- AMBER: Antechamber formal charges with Gasteiger method Lee, Matthew (Tue Aug 26 2003 - 13:07:14 CDT)
- Re: AMBER: Antechamber formal charges with Gasteiger method Junmei Wang (Tue Aug 26 2003 - 14:55:14 CDT)
- AMBER: mpprun: exec of '/usr/local/bin/sander7.0' failed: Not enough space zhaoxc_at_puccini.che.pitt.edu (Tue Aug 26 2003 - 18:17:00 CDT)
- AMBER: xleap memory issue Terry Downing (Tue Aug 26 2003 - 19:30:06 CDT)
- Re: AMBER: xleap memory issue Bill Ross (Tue Aug 26 2003 - 19:52:40 CDT)
- Re: AMBER: xleap memory issue David A. Case (Tue Aug 26 2003 - 20:25:29 CDT)
- Re: AMBER: mpprun: exec of '/usr/local/bin/sander7.0' failed: Not enough space David A. Case (Tue Aug 26 2003 - 20:32:20 CDT)
- Re: AMBER: mpprun: exec of '/usr/local/bin/sander7.0' failed: Not enough space Robert Duke (Tue Aug 26 2003 - 20:53:06 CDT)
- AMBER: LEaP not compiling Niko Jukarainen (Wed Aug 27 2003 - 09:50:01 CDT)
- Re: AMBER: gibbs pmf calculation Lishan Yao (Wed Aug 27 2003 - 10:34:02 CDT)
- Re: AMBER: LEaP not compiling David A. Case (Wed Aug 27 2003 - 10:42:49 CDT)
- AMBER: Antechamber Problem Yuhui Cheng (Wed Aug 27 2003 - 11:31:43 CDT)
- AMBER: target MD simulation Lishan Yao (Wed Aug 27 2003 - 13:01:46 CDT)
- Re: AMBER: target MD simulation Carlos Simmerling (Wed Aug 27 2003 - 14:59:09 CDT)
- RE: AMBER: LEaP not compiling John Bushnell (Wed Aug 27 2003 - 16:56:32 CDT)
- AMBER: PMF calculation with gibbs Xiao Jian Tan (Wed Aug 27 2003 - 17:34:16 CDT)
- RE: AMBER: LEaP not compiling Niko Jukarainen (Wed Aug 27 2003 - 10:58:52 CDT)
- Re: AMBER: target MD simulation David A. Case (Wed Aug 27 2003 - 15:39:31 CDT)
- AMBER: RESP calculation Yuhui Cheng (Wed Aug 27 2003 - 21:04:57 CDT)
- RE: AMBER: LEaP not compiling Niko Jukarainen (Wed Aug 27 2003 - 23:58:24 CDT)
- AMBER: "ATTN, need revision" atobak_at_eden.rutgers.edu (Thu Aug 28 2003 - 11:31:05 CDT)
- Re: AMBER: "ATTN, need revision" Junmei Wang (Thu Aug 28 2003 - 12:06:46 CDT)
- Re: AMBER: Antechamber Problem Junmei Wang (Thu Aug 28 2003 - 12:16:24 CDT)
- AMBER: forces estimation Ioana Cozmuta (Thu Aug 28 2003 - 13:54:52 CDT)
- AMBER: what can't I use ibelly? nie beining (Thu Aug 28 2003 - 14:30:23 CDT)
- Re: AMBER: what can't I use ibelly? David A. Case (Thu Aug 28 2003 - 14:40:55 CDT)
- AMBER: Could you please give me an example? Thanks! nie beining (Thu Aug 28 2003 - 15:04:00 CDT)
- AMBER: Fxnal form of NMR-style restraints Kristina Furse (Thu Aug 28 2003 - 16:41:56 CDT)
- AMBER: usability of mm_pbsa with ligand - membrane protein - complex Frank Boeckler (Thu Aug 28 2003 - 17:20:09 CDT)
- Re: AMBER: Fxnal form of NMR-style restraints Holger Gohlke (Thu Aug 28 2003 - 17:41:04 CDT)
- Re: AMBER: usability of mm_pbsa with ligand - membrane protein - complex Holger Gohlke (Thu Aug 28 2003 - 18:01:11 CDT)
- AMBER: AmberFFC v1.3 released FyD (Fri Aug 29 2003 - 11:35:12 CDT)
- AMBER: sander minimization atobak_at_eden.rutgers.edu (Fri Aug 29 2003 - 15:39:58 CDT)
- Re: AMBER: sander minimization Qiang Lu (Fri Aug 29 2003 - 16:13:53 CDT)
- Re: AMBER: sander minimization David A. Case (Fri Aug 29 2003 - 16:32:55 CDT)
Last message date: Fri Feb 06 2004 - 10:15:04 CST
Archived on: Thu May 05 2005 - 14:17:44 CDT
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