AMBER Archive (2006) - Oct 2006 By DateMost recent messages
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Starting: Sun Oct 01 2006 - 08:34:45 CDT
Ending: Tue Oct 31 2006 - 19:04:29 CST
- Re: AMBER: RE: Amber8: problem related to antechamber David A. Case (Sun Oct 01 2006 - 08:35:55 CDT)
- Re: AMBER: Multiple Timestep MD David A. Case (Sun Oct 01 2006 - 08:35:25 CDT)
- Re: AMBER: chemical shift restrains David A. Case (Sun Oct 01 2006 - 08:35:01 CDT)
- Re: AMBER: RE: Amber8: problem related to antechamber David A. Case (Sun Oct 01 2006 - 08:34:45 CDT)
- Re: AMBER: Multiple Timestep MD Robert Duke (Sun Oct 01 2006 - 09:22:34 CDT)
- AMBER: polarization effects Vitor Manuel Sousa F?x (Sun Oct 01 2006 - 09:08:55 CDT)
- AMBER: problem installing amber9 with g95 gcc on a fc5 m/c Sayandeep Purkayasth (Sun Oct 01 2006 - 21:15:54 CDT)
- Re: AMBER: problem installing amber9 with g95 gcc on a fc5 m/c David A. Case (Mon Oct 02 2006 - 10:28:25 CDT)
- Re: AMBER: proposed patch for ptraj/evec.c (Amber 9.0) David A. Case (Mon Oct 02 2006 - 10:51:53 CDT)
- Re: AMBER: problem to center solvateshell David A. Case (Mon Oct 02 2006 - 11:01:44 CDT)
- AMBER: Pressure in MD Fenghui Fan (Mon Oct 02 2006 - 15:55:16 CDT)
- Re: AMBER: Pressure in MD Thomas Steinbrecher (Mon Oct 02 2006 - 16:24:30 CDT)
- AMBER: how to run a mm_pbsa on a minimized structure? Wang, Xuelin (Mon Oct 02 2006 - 16:50:02 CDT)
- AMBER: mdcrd file Fenghui Fan (Mon Oct 02 2006 - 19:09:37 CDT)
- Re: AMBER: mdcrd file Bill Ross (Mon Oct 02 2006 - 19:23:18 CDT)
- Re: AMBER: problem installing amber9 with g95 gcc on a fc5 m/c Sayandeep Purkayasth (Mon Oct 02 2006 - 19:30:40 CDT)
- Re: AMBER: mdcrd file Fenghui Fan (Mon Oct 02 2006 - 21:17:12 CDT)
- Re: AMBER: mdcrd file Bill Ross (Mon Oct 02 2006 - 21:46:15 CDT)
- RE: AMBER: mdcrd file Ross Walker (Mon Oct 02 2006 - 23:31:03 CDT)
- AMBER: How to get the VDW contacts' messages from the mdcrd files Jiapu.Zhang_at_csiro.au (Tue Oct 03 2006 - 01:11:03 CDT)
- RE: AMBER: problem to center solvateshell Bonnet, Pascal [PRDBE] (Tue Oct 03 2006 - 01:30:53 CDT)
- AMBER: Pressure problem with restraint Jianhui (Tue Oct 03 2006 - 09:41:46 CDT)
- AMBER: hbond analysis Vlad Cojocaru (Tue Oct 03 2006 - 10:45:23 CDT)
- Re: AMBER: hbond analysis Thomas Cheatham (Tue Oct 03 2006 - 11:05:00 CDT)
- AMBER: MM_PBSA error Shozeb Haider (Tue Oct 03 2006 - 16:04:57 CDT)
- Re: AMBER: hbond analysis Vlad Cojocaru (Tue Oct 03 2006 - 11:18:28 CDT)
- Re: AMBER: hbond analysis Thomas Cheatham (Tue Oct 03 2006 - 11:27:56 CDT)
- Re: AMBER: hbond analysis Vlad Cojocaru (Tue Oct 03 2006 - 11:35:32 CDT)
- AMBER: how to calculate rmsd for non hydrogen at oms? yxiong99 (Tue Oct 03 2006 - 11:43:49 CDT)
- Re: AMBER: how to calculate rmsd for non hydrogen at oms? Viktor Hornak (Tue Oct 03 2006 - 11:51:53 CDT)
- Re: AMBER: how to calculate rmsd for non hydrogen at oms? JunJun Liu (Tue Oct 03 2006 - 14:10:25 CDT)
- AMBER: mm_pbsa PBCAL William Wei (Tue Oct 03 2006 - 14:23:18 CDT)
- AMBER: Distance between two atoms Fenghui Fan (Tue Oct 03 2006 - 18:59:17 CDT)
- Re: AMBER: problem installing amber9 with g95 gcc on a fc5 m/c Sayandeep Purkayasth (Wed Oct 04 2006 - 00:14:06 CDT)
- AMBER: Re: Distance between two atoms Fenghui Fan (Wed Oct 04 2006 - 01:12:06 CDT)
- Re: AMBER: Re: Distance between two atoms Fenghui Fan (Wed Oct 04 2006 - 01:41:27 CDT)
- Re: AMBER: problem installing amber9 with g95 gcc on a fc5 m/c Scott Brozell (Wed Oct 04 2006 - 03:16:09 CDT)
- AMBER: RMSD: is it related to flexibility? a a (Wed Oct 04 2006 - 04:42:12 CDT)
- Re: AMBER: RMSD: is it related to flexibility? Carlos Simmerling (Wed Oct 04 2006 - 06:40:04 CDT)
- AMBER: Distance between 2 atoms Fenghui Fan (Wed Oct 04 2006 - 08:52:16 CDT)
- AMBER: on rst file Fenghui Fan (Wed Oct 04 2006 - 09:02:40 CDT)
- Re: AMBER: hbond analysis Sergey Samsonov (Wed Oct 04 2006 - 09:49:35 CDT)
- Re: AMBER: Pressure problem with restraint David A. Case (Wed Oct 04 2006 - 10:06:38 CDT)
- Re: AMBER: RMSD: is it related to flexibility? David A. Case (Wed Oct 04 2006 - 10:08:32 CDT)
- Re: AMBER: hbond analysis Vlad Cojocaru (Wed Oct 04 2006 - 10:26:32 CDT)
- AMBER: atom nomination in the PDB file produced by Amber Fenghui Fan (Wed Oct 04 2006 - 10:37:45 CDT)
- AMBER: Re: atom nomination in the PDB file produced by Amber Fenghui Fan (Wed Oct 04 2006 - 10:41:11 CDT)
- AMBER: change from .rst file to .mdcrd file Wang, Xuelin (Wed Oct 04 2006 - 10:52:56 CDT)
- Re: AMBER: on rst file Bill Ross (Wed Oct 04 2006 - 12:17:10 CDT)
- Re: AMBER: Is GB/SANDER slower than TIP3P/PMEMD Robert Duke (Wed Oct 04 2006 - 12:45:06 CDT)
- Re: AMBER: Pressure problem with restraint David A. Case (Wed Oct 04 2006 - 13:03:45 CDT)
- Re: Re: AMBER: Pressure problem with restraint Jianhui (Wed Oct 04 2006 - 14:24:35 CDT)
- Re: AMBER: change from .rst file to .mdcrd file JunJun Liu (Wed Oct 04 2006 - 15:14:22 CDT)
- AMBER: AMBER minimization vs. Gaussian optimization Ilyas Yildirim (Wed Oct 04 2006 - 15:27:48 CDT)
- Re: AMBER: AMBER minimization vs. Gaussian optimization Thomas Cheatham (Wed Oct 04 2006 - 15:45:59 CDT)
- Re: AMBER: hbond analysis Thomas Cheatham (Wed Oct 04 2006 - 16:00:02 CDT)
- AMBER: ptraj hbond analysis troubles Sayandeep Purkayasth (Wed Oct 04 2006 - 16:14:10 CDT)
- Re: AMBER: ptraj hbond analysis troubles Thomas Cheatham (Wed Oct 04 2006 - 16:36:49 CDT)
- Re: AMBER: AMBER minimization vs. Gaussian optimization Ilyas Yildirim (Wed Oct 04 2006 - 17:17:51 CDT)
- Re: Re: AMBER: Pressure problem with restraint David A. Case (Wed Oct 04 2006 - 17:19:50 CDT)
- Re: AMBER: ptraj hbond analysis troubles Thomas Cheatham (Wed Oct 04 2006 - 17:41:55 CDT)
- AMBER: VMD PDB into LEAP Readable PDB Akshay Patny (Wed Oct 04 2006 - 20:07:11 CDT)
- Re: AMBER: RMSD: is it related to flexibility? a a (Wed Oct 04 2006 - 23:15:20 CDT)
- Re: AMBER: AMBER minimization vs. Gaussian optimization FyD (Thu Oct 05 2006 - 00:14:07 CDT)
- Re: AMBER: hbond analysis Sergey Samsonov (Thu Oct 05 2006 - 01:40:59 CDT)
- AMBER: Missing values for MM VDW bala (Thu Oct 05 2006 - 06:33:14 CDT)
- Re: AMBER: ptraj hbond analysis troubles Sayandeep Purkayasth (Thu Oct 05 2006 - 08:37:07 CDT)
- AMBER: PBSA calculation fail .... Changge Ji (Thu Oct 05 2006 - 08:42:39 CDT)
- Re: AMBER: ptraj hbond analysis troubles Robert Duke (Thu Oct 05 2006 - 08:58:50 CDT)
- Re: AMBER: VMD PDB into LEAP Readable PDB David A. Case (Thu Oct 05 2006 - 10:13:41 CDT)
- Re: AMBER: ptraj hbond analysis troubles Thomas Cheatham (Thu Oct 05 2006 - 10:21:40 CDT)
- Re: AMBER: RMSD: is it related to flexibility? Gustavo Seabra (Thu Oct 05 2006 - 11:08:05 CDT)
- Re: AMBER: PBSA calculation fail .... Ray Luo (Thu Oct 05 2006 - 11:36:32 CDT)
- AMBER: Building polymer with sequence command gtg549i_at_mail.gatech.edu (Thu Oct 05 2006 - 11:46:11 CDT)
- Re: AMBER: ptraj hbond analysis troubles Robert Duke (Thu Oct 05 2006 - 13:35:20 CDT)
- Re: AMBER: ptraj hbond analysis troubles Thomas Cheatham (Thu Oct 05 2006 - 14:43:37 CDT)
- AMBER: generating resp input files with antechamber dhruva chakravorty (Thu Oct 05 2006 - 14:53:03 CDT)
- Re: AMBER: Building polymer with sequence command David A. Case (Thu Oct 05 2006 - 19:31:36 CDT)
- AMBER: water prmtop/inpcrd problem Akshay Patny (Thu Oct 05 2006 - 20:08:59 CDT)
- Re: AMBER: water prmtop/inpcrd problem David A. Case (Thu Oct 05 2006 - 21:01:22 CDT)
- Re: AMBER: ptraj hbond analysis troubles Robert Duke (Thu Oct 05 2006 - 20:55:42 CDT)
- Re: Re: AMBER: PBSA calculation fail .... Changge Ji (Thu Oct 05 2006 - 21:36:34 CDT)
- AMBER: Calculation of Dihedral constants Prashanth Athri (Thu Oct 05 2006 - 21:36:15 CDT)
- AMBER: (no subject) Prashanth Athri (Thu Oct 05 2006 - 21:34:47 CDT)
- Re: AMBER: RMSD: is it related to flexibility? a a (Thu Oct 05 2006 - 21:50:43 CDT)
- Re: AMBER: water prmtop/inpcrd problem Ilyas Yildirim (Fri Oct 06 2006 - 04:17:11 CDT)
- RE: AMBER: water prmtop/inpcrd problem Akshay Patny (Fri Oct 06 2006 - 09:49:22 CDT)
- Re: AMBER: (no subject) David A. Case (Fri Oct 06 2006 - 11:20:03 CDT)
- Re: AMBER: PBSA calculation fail .... Ray Luo (Fri Oct 06 2006 - 11:22:11 CDT)
- Re: AMBER: RMSD: is it related to flexibility? Feng X Zhou (Fri Oct 06 2006 - 11:28:36 CDT)
- AMBER: LEAP error Akshay Patny (Fri Oct 06 2006 - 11:49:42 CDT)
- Re: AMBER: Installation amber 9 on IBM SP4 Scott Brozell (Fri Oct 06 2006 - 12:13:15 CDT)
- Re: AMBER: LEAP error Scott Brozell (Fri Oct 06 2006 - 12:30:34 CDT)
- AMBER: How to merge two molecules to one Myunggi Yi (Fri Oct 06 2006 - 13:51:19 CDT)
- Re: AMBER: LEAP error Akshay Patny (Fri Oct 06 2006 - 18:17:05 CDT)
- Re: AMBER: LEAP error Ilyas Yildirim (Fri Oct 06 2006 - 23:26:29 CDT)
- AMBER: MM_PBSA Rajendra P. OJHA (Sat Oct 07 2006 - 11:21:49 CDT)
- AMBER: question about building molecules Rita Cassia (Sun Oct 08 2006 - 06:05:59 CDT)
- Re: AMBER: question about building molecules David A. Case (Sun Oct 08 2006 - 11:31:27 CDT)
- Re: AMBER: LEAP error David A. Case (Sun Oct 08 2006 - 23:28:36 CDT)
- AMBER: Potential of Mean Force calculation or Steered molecular dynamics a a (Mon Oct 09 2006 - 01:07:25 CDT)
- Re: AMBER: ptraj hbond analysis troubles Sayandeep Purkayasth (Mon Oct 09 2006 - 03:11:56 CDT)
- Re: AMBER: problem installing amber9 with g95 gcc on a fc5 m/c Sayandeep Purkayasth (Mon Oct 09 2006 - 03:59:18 CDT)
- AMBER: some puzzles in equilibration MD Zhihong Yu (Mon Oct 09 2006 - 08:58:06 CDT)
- AMBER: Trouble with Leap Biswa Ranjan Meher (Mon Oct 09 2006 - 09:28:28 CDT)
- RE: AMBER: some puzzles in equilibration MD Ross Walker (Mon Oct 09 2006 - 09:53:20 CDT)
- RE: AMBER: some puzzles in equilibration MD Zhihong Yu (Mon Oct 09 2006 - 10:19:15 CDT)
- RE: AMBER: LEAP error (Test Case) Akshay Patny (Mon Oct 09 2006 - 10:37:18 CDT)
- Re: AMBER: question about building molecules Rita Cassia (Mon Oct 09 2006 - 10:49:10 CDT)
- AMBER: how to combine NEB method with QM/MM approach caoch_at_cherry.bio.titech.ac.jp (Mon Oct 09 2006 - 11:23:07 CDT)
- AMBER: MMPBSA vDW error Shozeb Haider (Mon Oct 09 2006 - 18:08:27 CDT)
- AMBER: Announcement: Parameters for Modified Nucleosides in RNA Raviprasad Aduri (Mon Oct 09 2006 - 16:13:56 CDT)
- RE: AMBER: how to combine NEB method with QM/MM approach Ross Walker (Mon Oct 09 2006 - 17:33:00 CDT)
- RE: AMBER: some puzzles in equilibration MD Ross Walker (Mon Oct 09 2006 - 17:41:54 CDT)
- Re: AMBER: problem installing amber9 with g95 gcc on a fc5 m/c Scott Brozell (Mon Oct 09 2006 - 20:14:54 CDT)
- Re: AMBER: Trouble with Leap Scott Brozell (Mon Oct 09 2006 - 20:42:38 CDT)
- RE: AMBER: some puzzles in equilibration MD Bill Ross (Mon Oct 09 2006 - 22:14:39 CDT)
- AMBER: Steered molecular dynamics with Amber 8.0 a a (Tue Oct 10 2006 - 04:44:56 CDT)
- AMBER: partial charges Fabian Alejandro Rodriguez (Tue Oct 10 2006 - 11:35:53 CDT)
- AMBER: Fe complex Toshifumi Yui (Tue Oct 10 2006 - 20:09:36 CDT)
- AMBER: generalized born model for organic solvent Eric Hu (Tue Oct 10 2006 - 20:29:12 CDT)
- AMBER: Re: AMBER: Fe complex (correction) Toshifumi Yui (Tue Oct 10 2006 - 20:41:05 CDT)
- AMBER: adding polar hydrogens Sean Rathlef (Tue Oct 10 2006 - 21:43:39 CDT)
- AMBER: Reducind trajectory Sergey Samsonov (Wed Oct 11 2006 - 02:03:49 CDT)
- Re: AMBER: Reducing trajectory Sergey Samsonov (Wed Oct 11 2006 - 02:36:15 CDT)
- Re: AMBER: ptraj hbond analysis troubles Reinhard Klement (Wed Oct 11 2006 - 03:25:27 CDT)
- AMBER: Parameters for Nickel a a (Wed Oct 11 2006 - 04:05:15 CDT)
- Re: AMBER: generalized born model for organic solvent David A. Case (Wed Oct 11 2006 - 11:16:23 CDT)
- Re: AMBER: adding polar hydrogens David A. Case (Wed Oct 11 2006 - 11:14:29 CDT)
- Re: AMBER: partial charges David A. Case (Wed Oct 11 2006 - 11:17:48 CDT)
- Re: AMBER: adding polar hydrogens Sean Rathlef (Wed Oct 11 2006 - 13:02:28 CDT)
- Re: AMBER: adding polar hydrogens David A. Case (Wed Oct 11 2006 - 13:28:11 CDT)
- AMBER: amber force field Noriaki Okimoto (Wed Oct 11 2006 - 13:21:03 CDT)
- Re: AMBER: amber force field Carlos Simmerling (Wed Oct 11 2006 - 13:33:36 CDT)
- Re: AMBER: adding polar hydrogens Sean Rathlef (Wed Oct 11 2006 - 13:35:47 CDT)
- AMBER: problems for running sander.MPI Qizhi Cui (Wed Oct 11 2006 - 15:39:36 CDT)
- RE: AMBER: problems for running sander.MPI Ross Walker (Wed Oct 11 2006 - 17:18:14 CDT)
- Re: AMBER: generalized born model for organic solvent Eric Hu (Wed Oct 11 2006 - 18:37:01 CDT)
- Re: AMBER: generalized born model for organic solvent David A. Case (Wed Oct 11 2006 - 18:53:49 CDT)
- Re: AMBER: generalized born model for organic solvent Adrian Roitberg (Wed Oct 11 2006 - 19:11:33 CDT)
- AMBER: puzzles about solvatoct or solvatebox Zhihong Yu (Thu Oct 12 2006 - 05:00:08 CDT)
- AMBER: High Values in MMPBSA Shozeb Haider (Thu Oct 12 2006 - 11:55:15 CDT)
- Re: AMBER: problems for running sander.MPI Christophe Deprez (Thu Oct 12 2006 - 08:54:41 CDT)
- Re: AMBER: High Values in MMPBSA Thomas Steinbrecher (Thu Oct 12 2006 - 10:36:31 CDT)
- AMBER: angle between two vectors Lwin, ThuZar (Thu Oct 12 2006 - 11:51:15 CDT)
- RE: AMBER: problems for running sander.MPI Ross Walker (Thu Oct 12 2006 - 12:41:19 CDT)
- Re: AMBER: puzzles about solvatoct or solvatebox Bill Ross (Thu Oct 12 2006 - 12:43:38 CDT)
- Re: AMBER: angle between two vectors M. L. Dodson (Thu Oct 12 2006 - 12:40:35 CDT)
- Re: AMBER: generalized born model for organic solvent Eric Hu (Thu Oct 12 2006 - 12:47:44 CDT)
- Re: AMBER: generalized born model for organic solvent David A. Case (Thu Oct 12 2006 - 13:00:00 CDT)
- Re: AMBER: angle between two vectors David A. Case (Thu Oct 12 2006 - 13:14:14 CDT)
- AMBER: Phenyl Ring atom types sethl_at_gatech.edu (Thu Oct 12 2006 - 13:59:24 CDT)
- AMBER: Ptraj problems Charlisa Daniels (Thu Oct 12 2006 - 15:01:30 CDT)
- Re: AMBER: generalized born model for organic solvent Eric Hu (Thu Oct 12 2006 - 18:32:16 CDT)
- AMBER: TFE parameters for Amber Mingfeng Yang (Thu Oct 12 2006 - 18:33:21 CDT)
- AMBER: BioBlade Sean Rathlef (Thu Oct 12 2006 - 22:12:41 CDT)
- AMBER: klambda Sergey Samsonov (Fri Oct 13 2006 - 09:49:05 CDT)
- AMBER: Updated Tutorials Page Ross Walker (Fri Oct 13 2006 - 14:17:07 CDT)
- AMBER: force fiels for a-rna asli ertekin (Fri Oct 13 2006 - 17:28:58 CDT)
- Re: AMBER: force fiels for a-rna Carlos Simmerling (Fri Oct 13 2006 - 17:41:21 CDT)
- Re: AMBER: restraints and constant pressure Joshua (Fri Oct 13 2006 - 17:46:26 CDT)
- Re: AMBER: force fiels for a-rna asli ertekin (Fri Oct 13 2006 - 18:20:32 CDT)
- AMBER: Grid command of ptraj Atsutoshi Okabe (Sat Oct 14 2006 - 02:31:01 CDT)
- AMBER: SURFTEN/SURFOFF values in amber9 ferranna_at_unimo.it (Sat Oct 14 2006 - 02:27:42 CDT)
- Re: AMBER: force fiels for a-rna Jiri Sponer (Sat Oct 14 2006 - 02:59:13 CDT)
- Re: AMBER: Grid command of ptraj Sean Rathlef (Sat Oct 14 2006 - 05:25:59 CDT)
- AMBER: How to calculate RDF based on the center of mass of specific solute atoms? Xioling Chuang (Sun Oct 15 2006 - 23:04:10 CDT)
- AMBER: simulation of protein in non-aq or organic solvent bath Smriti Sharma (Sun Oct 15 2006 - 23:06:53 CDT)
- Re: AMBER: How to calculate RDF based on the center of mass of specific solute atoms? Fenghui Fan (Sun Oct 15 2006 - 23:36:25 CDT)
- Re: AMBER: problem installing amber9 with g95 gcc on a fc5 m/c Sayandeep Purkayasth (Mon Oct 16 2006 - 01:32:04 CDT)
- AMBER: Amber8: problem related to antechamber priya priya (Mon Oct 16 2006 - 02:00:38 CDT)
- AMBER: Amber8: how to do Simulated Annealing and Equilibration priya priya (Mon Oct 16 2006 - 03:32:18 CDT)
- Re: AMBER: How to calculate RDF based on the center of mass of specific solute atoms? Xioling Chuang (Mon Oct 16 2006 - 03:48:04 CDT)
- RE: AMBER: Grid command of ptraj Atsutoshi Okabe (Mon Oct 16 2006 - 04:26:55 CDT)
- RE: AMBER: Amber8: how to do Simulated Annealing and Equilibration Ross Walker (Mon Oct 16 2006 - 10:32:20 CDT)
- Re: AMBER: Amber8: problem related to antechamber David A. Case (Mon Oct 16 2006 - 10:29:19 CDT)
- RE: AMBER: Amber8: problem related to antechamber Ross Walker (Mon Oct 16 2006 - 10:32:20 CDT)
- Re: AMBER: angle between two vectors Myunggi Yi (Mon Oct 16 2006 - 11:15:59 CDT)
- Re: AMBER: problem installing amber9 with g95 gcc on a fc5 m/c David A. Case (Mon Oct 16 2006 - 11:41:31 CDT)
- AMBER: Interbox interactions Austin B. Yongye (Mon Oct 16 2006 - 12:15:04 CDT)
- RE: AMBER: angle between two vectors. . Lwin, ThuZar (Mon Oct 16 2006 - 15:51:28 CDT)
- AMBER: modeling of ligand concentrations Sean Rathlef (Mon Oct 16 2006 - 15:43:51 CDT)
- AMBER: Density calculation Jianhui (Mon Oct 16 2006 - 16:12:24 CDT)
- AMBER: How to find equillibration time for my system in a generalised born solvation model Gobind Singh Bisht (Mon Oct 16 2006 - 16:34:11 CDT)
- Re: AMBER: Density calculation David A. Case (Mon Oct 16 2006 - 17:26:49 CDT)
- Re: AMBER: modeling of ligand concentrations David A. Case (Mon Oct 16 2006 - 17:24:34 CDT)
- Re: AMBER: How to find equillibration time for my system in a generalised born solvation model David A. Case (Mon Oct 16 2006 - 17:33:14 CDT)
- Re: AMBER: modeling of ligand concentrations Sean Rathlef (Mon Oct 16 2006 - 17:48:16 CDT)
- AMBER: regarding PBCAL in MM-PBSA Cenk Andac (Mon Oct 16 2006 - 18:11:33 CDT)
- AMBER: General Coding Problem Elijah Gregory (Mon Oct 16 2006 - 18:53:27 CDT)
- Re: AMBER: General Coding Problem David A. Case (Mon Oct 16 2006 - 19:27:56 CDT)
- Re: AMBER: modeling of ligand concentrations David A. Case (Mon Oct 16 2006 - 19:33:54 CDT)
- Re: AMBER: regarding PBCAL in MM-PBSA Ray Luo (Mon Oct 16 2006 - 19:35:42 CDT)
- Re: AMBER: General Coding Problem Bill Ross (Mon Oct 16 2006 - 19:56:37 CDT)
- Re: AMBER: regarding PBCAL in MM-PBSA Cenk Andac (Mon Oct 16 2006 - 20:15:20 CDT)
- Re: AMBER: modeling of ligand concentrations Sean Rathlef (Mon Oct 16 2006 - 20:37:25 CDT)
- RE: AMBER: Amber8: how to do Simulated Annealing and Equilibration priya priya (Mon Oct 16 2006 - 23:42:15 CDT)
- Re: AMBER: Amber8: problem related to antechamber priya priya (Tue Oct 17 2006 - 01:49:03 CDT)
- AMBER: Problem working with Antechamber nur avneet (Tue Oct 17 2006 - 02:44:54 CDT)
- AMBER: RDF calculation Xioling Chuang (Tue Oct 17 2006 - 05:54:02 CDT)
- Re: AMBER: puzzles about solvatoct or solvatebox Zhihong Yu (Tue Oct 17 2006 - 09:42:54 CDT)
- AMBER: How did the coordinates change in xleap? Zhihong Yu (Tue Oct 17 2006 - 10:03:47 CDT)
- Re: AMBER: puzzles about solvatoct or solvatebox Thomas Cheatham (Tue Oct 17 2006 - 10:05:08 CDT)
- Re: AMBER: Amber8: problem related to antechamber David A. Case (Tue Oct 17 2006 - 10:10:43 CDT)
- Re: AMBER: RDF calculation Thomas Cheatham (Tue Oct 17 2006 - 10:23:05 CDT)
- Re: AMBER: How did the coordinates change in xleap? David A. Case (Tue Oct 17 2006 - 10:28:52 CDT)
- Re: AMBER: Interbox interactions Thomas Cheatham (Tue Oct 17 2006 - 10:34:50 CDT)
- Re: AMBER: modeling of ligand concentrations David A. Case (Tue Oct 17 2006 - 10:38:07 CDT)
- RE: AMBER: Grid command of ptraj Thomas Cheatham (Tue Oct 17 2006 - 10:40:22 CDT)
- AMBER: Unstable RMS trajectory Dave, Sonya (Tue Oct 17 2006 - 11:03:59 CDT)
- Re: AMBER: modeling of ligand concentrations Sean Rathlef (Tue Oct 17 2006 - 11:07:18 CDT)
- Re: AMBER: Interbox interactions Austin B. Yongye (Tue Oct 17 2006 - 11:03:18 CDT)
- Re: AMBER: Unstable RMS trajectory Carlos Simmerling (Tue Oct 17 2006 - 11:10:52 CDT)
- Re: AMBER: puzzles about solvatoct or solvatebox Bill Ross (Tue Oct 17 2006 - 11:13:58 CDT)
- Re: AMBER: Unstable RMS trajectory Gustavo Seabra (Tue Oct 17 2006 - 11:22:31 CDT)
- Re: AMBER: Unstable RMS trajectory Bill Ross (Tue Oct 17 2006 - 11:26:18 CDT)
- Re: AMBER: Unstable RMS trajectory Carlos Simmerling (Tue Oct 17 2006 - 11:33:40 CDT)
- Re: AMBER: modeling of ligand concentrations David A. Case (Tue Oct 17 2006 - 11:41:24 CDT)
- RE: AMBER: Unstable RMS trajectory Ross Walker (Tue Oct 17 2006 - 11:40:43 CDT)
- Re: AMBER: Unstable RMS trajectory Adrian Roitberg (Tue Oct 17 2006 - 11:46:48 CDT)
- Re: AMBER: Unstable RMS trajectory Gustavo Seabra (Tue Oct 17 2006 - 11:56:23 CDT)
- AMBER: sander/topology problem Lorenzo Gontrani (Tue Oct 17 2006 - 11:51:39 CDT)
- RE: AMBER: Unstable RMS trajectory Dave, Sonya (Tue Oct 17 2006 - 12:17:59 CDT)
- RE: AMBER: Unstable RMS trajectory Dave, Sonya (Tue Oct 17 2006 - 12:10:03 CDT)
- Re: AMBER: sander/topology problem David A. Case (Tue Oct 17 2006 - 12:31:25 CDT)
- Re: AMBER: Unstable RMS trajectory Adrian Roitberg (Tue Oct 17 2006 - 12:41:31 CDT)
- Re: AMBER: Unstable RMS trajectory Gustavo Seabra (Tue Oct 17 2006 - 12:41:43 CDT)
- RE: AMBER: Unstable RMS trajectory Dave, Sonya (Tue Oct 17 2006 - 13:14:44 CDT)
- AMBER: question on mm_pbsa_statistics.pl Yongmei Pan (Tue Oct 17 2006 - 17:36:23 CDT)
- AMBER: questions on mm_pbsa_statitistics.pl Yongmei Pan (Tue Oct 17 2006 - 17:57:59 CDT)
- RE: AMBER: Grid command of ptraj Atsutoshi Okabe (Tue Oct 17 2006 - 23:19:13 CDT)
- Re: AMBER: Trouble with Leap Biswa Ranjan Meher (Wed Oct 18 2006 - 00:35:48 CDT)
- AMBER: Problem loading peptoid residues with antechamber nur avneet (Wed Oct 18 2006 - 01:23:42 CDT)
- AMBER: To create methanol solvent box Atsutoshi Okabe (Wed Oct 18 2006 - 01:31:02 CDT)
- Re: AMBER: questions on mm_pbsa_statitistics.pl Holger Gohlke (Wed Oct 18 2006 - 02:42:52 CDT)
- Re: AMBER: To create methanol solvent box Smriti Sharma (Wed Oct 18 2006 - 03:14:38 CDT)
- AMBER: how to simulate water flow inside a channel? Gobind Singh Bisht (Wed Oct 18 2006 - 09:33:51 CDT)
- AMBER: alanine scan (mm/pbsa) rob yang (Wed Oct 18 2006 - 09:46:47 CDT)
- Re: Re: AMBER: questions on mm_pbsa_statitistics.pl Yongmei Pan (Wed Oct 18 2006 - 10:12:58 CDT)
- RE: AMBER: Problem loading peptoid residues with antechamber Junmei Wang (Wed Oct 18 2006 - 11:05:24 CDT)
- Re: AMBER: questions on mm_pbsa_statitistics.pl Holger Gohlke (Wed Oct 18 2006 - 13:19:20 CDT)
- AMBER: ptraj atomicfluct Myunggi Yi (Wed Oct 18 2006 - 13:59:22 CDT)
- Re: AMBER: ptraj atomicfluct Myunggi Yi (Wed Oct 18 2006 - 14:13:36 CDT)
- AMBER: charge models in antechamber Eric Hu (Wed Oct 18 2006 - 17:51:00 CDT)
- Re: AMBER: charge models in antechamber Sean Rathlef (Wed Oct 18 2006 - 18:29:02 CDT)
- Re: AMBER: charge models in antechamber Sean Rathlef (Wed Oct 18 2006 - 18:48:00 CDT)
- AMBER: RESP charges of iron-porphyrin system Shin Tokumoto (Wed Oct 18 2006 - 21:50:26 CDT)
- RE: AMBER: Problem loading peptoid residues with antechamber nur avneet (Wed Oct 18 2006 - 23:05:15 CDT)
- Re: AMBER: Trouble with Leap Biswa Ranjan Meher (Thu Oct 19 2006 - 00:28:46 CDT)
- Re: AMBER: Trouble with Leap Ilyas Yildirim (Thu Oct 19 2006 - 03:04:59 CDT)
- AMBER: mmpbsa in parallell Olayiwola Adekoya (Thu Oct 19 2006 - 02:57:07 CDT)
- AMBER: Free-energy using MM-PBSA mathew k varghese (Thu Oct 19 2006 - 03:05:45 CDT)
- AMBER: Amber9 serial installation -tests- severe (174): SIGSEGV, segmentation fault occurred Maniopoulou, A \(Mina\) (Thu Oct 19 2006 - 07:48:08 CDT)
- Re: AMBER: Free-energy using MM-PBSA Yongmei Pan (Thu Oct 19 2006 - 08:20:07 CDT)
- Re: AMBER: RESP charges of iron-porphyrin system Gustavo Seabra (Thu Oct 19 2006 - 08:40:20 CDT)
- AMBER: Amber 9 installation problem Cenk Andac (Thu Oct 19 2006 - 10:43:02 CDT)
- Re: AMBER: Amber 9 installation problem Mark Williamson (Thu Oct 19 2006 - 11:12:01 CDT)
- Re: AMBER: RESP charges of iron-porphyrin system Chris Moth (Thu Oct 19 2006 - 11:39:24 CDT)
- Re: AMBER: charge models in antechamber David Mobley (Thu Oct 19 2006 - 12:48:14 CDT)
- Re: AMBER: Amber 9 installation problem Cenk Andac (Thu Oct 19 2006 - 12:55:54 CDT)
- Re: AMBER: Amber 9 installation problem David A. Case (Thu Oct 19 2006 - 13:43:35 CDT)
- AMBER: Curve fitting during dihedral parameter calculation Prashanth Athri (Thu Oct 19 2006 - 14:15:21 CDT)
- Re: AMBER: Amber 9 installation problem Cenk Andac (Thu Oct 19 2006 - 14:13:58 CDT)
- Re: AMBER: Amber9 serial installation -tests- severe (174): SIGSEGV, segmentation fault occurred David A. Case (Thu Oct 19 2006 - 14:22:47 CDT)
- RE: AMBER: Amber9 serial installation -tests- severe (174): SIGSEGV, segmentation fault occurred Ross Walker (Thu Oct 19 2006 - 14:24:43 CDT)
- AMBER: Issue with installation of Amber v9.0 parallel compilation Pravin_Kumar_at_jubilantbiosys.com (Thu Oct 19 2006 - 23:02:42 CDT)
- AMBER: Issue with installation of Amber v9.0 parallel compilation Pravin_Kumar_at_jubilantbiosys.com (Thu Oct 19 2006 - 23:17:51 CDT)
- Re: AMBER: RESP charges of iron-porphyrin system Shin Tokumoto (Thu Oct 19 2006 - 23:45:08 CDT)
- RE: AMBER: Issue with installation of Amber v9.0 parallel compilation Ross Walker (Thu Oct 19 2006 - 23:55:00 CDT)
- Re: AMBER: RESP charges of iron-porphyrin system FyD (Fri Oct 20 2006 - 00:23:14 CDT)
- RE: AMBER: Amber9 serial installation -tests- severe (174): SIGSEGV, segmentation fault occurred Maniopoulou, A \(Mina\) (Fri Oct 20 2006 - 05:27:29 CDT)
- AMBER: Probelm with running Amber 9 parallelly Rafi Ahmad (Fri Oct 20 2006 - 09:29:14 CDT)
- Re: AMBER: Probelm with running Amber 9 parallelly David A. Case (Fri Oct 20 2006 - 10:24:16 CDT)
- RE: AMBER: Amber9 serial installation -tests- severe (174): SIGSEGV, segmentation fault occurred Ross Walker (Fri Oct 20 2006 - 11:06:49 CDT)
- AMBER: rbornstat average and fluctuations incorrect when nrespa != nrespai Ingvar Lagerstedt (Fri Oct 20 2006 - 11:17:08 CDT)
- Re: AMBER: rbornstat average and fluctuations incorrect when nrespa != nrespai David A. Case (Fri Oct 20 2006 - 12:27:50 CDT)
- AMBER: Question about sander code Kijeong Kwac (Fri Oct 20 2006 - 13:13:49 CDT)
- Re: AMBER: Question about sander code David A. Case (Fri Oct 20 2006 - 13:37:51 CDT)
- AMBER: problem of installing carnal on macosx gtg549i_at_mail.gatech.edu (Fri Oct 20 2006 - 13:37:39 CDT)
- Re: AMBER: problem of installing carnal on macosx Bill Ross (Fri Oct 20 2006 - 13:50:19 CDT)
- Re: AMBER: problem of installing carnal on macosx Shuting Wei (Fri Oct 20 2006 - 14:45:03 CDT)
- RE: Re: AMBER: Question about sander code Kijeong Kwac (Fri Oct 20 2006 - 16:08:17 CDT)
- AMBER: atom type nh vs. n2 sethl_at_gatech.edu (Fri Oct 20 2006 - 16:31:09 CDT)
- Re: Re: AMBER: Question about sander code David A. Case (Fri Oct 20 2006 - 16:47:50 CDT)
- RE: Re: Re: AMBER: Question about sander code Kijeong Kwac (Fri Oct 20 2006 - 17:32:00 CDT)
- AMBER: question on molsurf Yongmei Pan (Fri Oct 20 2006 - 17:38:38 CDT)
- RE: RE: Re: Re: AMBER: Question about sander code Kijeong Kwac (Fri Oct 20 2006 - 17:48:07 CDT)
- Re: Re: Re: AMBER: Question about sander code David A. Case (Fri Oct 20 2006 - 17:55:05 CDT)
- AMBER: HBON in frcmod file Ilyas Yildirim (Sat Oct 21 2006 - 00:46:31 CDT)
- Re: AMBER: HBON in frcmod file Bill Ross (Sat Oct 21 2006 - 02:41:55 CDT)
- Re: AMBER: HBON in frcmod file Ilyas Yildirim (Sat Oct 21 2006 - 03:24:42 CDT)
- AMBER: single or dual topology for TI? Holly Freedman (Sat Oct 21 2006 - 13:20:51 CDT)
- Re: AMBER: single or dual topology for TI? David Mobley (Sat Oct 21 2006 - 14:17:50 CDT)
- Re: AMBER: HBON in frcmod file Bill Ross (Sat Oct 21 2006 - 14:57:48 CDT)
- Re: AMBER: single or dual topology for TI? Holly Freedman (Sat Oct 21 2006 - 15:32:42 CDT)
- Re: AMBER: single or dual topology for TI? David Mobley (Sat Oct 21 2006 - 15:58:41 CDT)
- AMBER: mmpbsa: fail to run heat in tutorial A3 jitrayut jitonnom (Sun Oct 22 2006 - 12:31:53 CDT)
- Re: AMBER: HBON in frcmod file David A. Case (Mon Oct 23 2006 - 00:11:58 CDT)
- AMBER: Virus? Peter Gannett (Mon Oct 23 2006 - 07:34:29 CDT)
- RE: AMBER: mmpbsa: fail to run heat in tutorial A3 Ross Walker (Mon Oct 23 2006 - 10:39:26 CDT)
- AMBER: ff for drug-dna complex and drug atom types assignment Kateryna Miroshnychenko (Mon Oct 23 2006 - 11:08:59 CDT)
- RE: AMBER: Grid command of ptraj Thomas Cheatham (Mon Oct 23 2006 - 11:24:20 CDT)
- Re: AMBER: modeling of ligand concentrations Thomas Cheatham (Mon Oct 23 2006 - 11:38:55 CDT)
- AMBER: PKDIV lone pair dihedrals Lorenzo Gontrani (Mon Oct 23 2006 - 12:16:25 CDT)
- Re: AMBER: ff for drug-dna complex and drug atom types assignment Barbault Florent (Mon Oct 23 2006 - 13:37:53 CDT)
- AMBER: Using modified NA bases sethl_at_gatech.edu (Mon Oct 23 2006 - 14:59:15 CDT)
- Re: AMBER: PKDIV lone pair dihedrals David A. Case (Mon Oct 23 2006 - 15:26:58 CDT)
- Re: AMBER: PKDIV lone pair dihedrals darden (Mon Oct 23 2006 - 16:05:37 CDT)
- AMBER: ptraj radial problem: Segmentation fault Jianhui Tian (Mon Oct 23 2006 - 16:48:43 CDT)
- Re: AMBER: modeling of ligand concentrations Sean Rathlef (Mon Oct 23 2006 - 17:19:18 CDT)
- Re: AMBER: modeling of ligand concentrations Carlos Simmerling (Mon Oct 23 2006 - 17:38:22 CDT)
- Re: AMBER: modeling of ligand concentrations Thomas Cheatham (Mon Oct 23 2006 - 17:51:28 CDT)
- Re: AMBER: Using modified NA bases Fabian Alejandro Rodriguez (Mon Oct 23 2006 - 18:17:41 CDT)
- Re: AMBER: modeling of ligand concentrations Adrian Roitberg (Mon Oct 23 2006 - 18:44:46 CDT)
- AMBER: splitting LES with ptraj in amber9 bala (Tue Oct 24 2006 - 00:18:16 CDT)
- AMBER: DIST_RST Urszula Uciechowska (Tue Oct 24 2006 - 03:32:03 CDT)
- Re: AMBER: DIST_RST Cenk Andac (Tue Oct 24 2006 - 05:51:01 CDT)
- AMBER: problem with calcpka.pl Benjamin Juhl (Tue Oct 24 2006 - 06:58:27 CDT)
- Re: AMBER: Using modified NA bases Franck_Vendeix_at_ncsu.edu (Tue Oct 24 2006 - 08:03:36 CDT)
- RE: AMBER: Amber9 serial installation -tests- severe (174): SIGSEGV, segmentation fault occurred Maniopoulou, A \(Mina\) (Tue Oct 24 2006 - 08:59:26 CDT)
- RE: AMBER: Amber9 serial installation -tests- severe (174): SIGSEGV, segmentation fault occurred Ross Walker (Tue Oct 24 2006 - 10:33:45 CDT)
- AMBER: pmemd installation on linux_p3_athlon ifort gtg549i_at_mail.gatech.edu (Tue Oct 24 2006 - 11:20:30 CDT)
- Re: AMBER: pmemd installation on linux_p3_athlon ifort Robert Duke (Tue Oct 24 2006 - 12:08:58 CDT)
- Re: AMBER: Using modified NA bases FyD (Tue Oct 24 2006 - 13:14:54 CDT)
- Re: AMBER: pmemd installation on linux_p3_athlon ifort Shuting Wei (Tue Oct 24 2006 - 14:19:31 CDT)
- AMBER: load charges to antechamber calculations Wang, Xuelin (Tue Oct 24 2006 - 14:30:24 CDT)
- AMBER: Not getting proper structure after minimization Dave, Sonya (Tue Oct 24 2006 - 15:50:04 CDT)
- Re: AMBER: Not getting proper structure after minimization Carlos Simmerling (Tue Oct 24 2006 - 16:06:14 CDT)
- Re: AMBER: Not getting proper structure after minimization Gustavo Seabra (Tue Oct 24 2006 - 16:28:27 CDT)
- Re: AMBER: Not getting proper structure after minimization Elijah Gregory (Tue Oct 24 2006 - 16:39:08 CDT)
- Re: AMBER: load charges to antechamber calculations David A. Case (Tue Oct 24 2006 - 17:55:29 CDT)
- RE: AMBER: Not getting proper structure after minimization Dave, Sonya (Tue Oct 24 2006 - 17:46:45 CDT)
- Re: AMBER: Not getting proper structure after minimization Elijah Gregory (Tue Oct 24 2006 - 18:12:35 CDT)
- Re: AMBER: Not getting proper structure after minimization Elijah Gregory (Tue Oct 24 2006 - 18:17:14 CDT)
- Re: AMBER: modeling of ligand concentrations Sean Rathlef (Tue Oct 24 2006 - 18:47:03 CDT)
- AMBER: md and implicit solvation Jardas sucuriba (Tue Oct 24 2006 - 18:57:24 CDT)
- Re: AMBER: md and implicit solvation Adrian Roitberg (Tue Oct 24 2006 - 19:19:34 CDT)
- Re: AMBER: modeling of ligand concentrations Thomas Steinbrecher (Tue Oct 24 2006 - 20:11:05 CDT)
- Re: AMBER: md and implicit solvation David A. Case (Tue Oct 24 2006 - 20:26:15 CDT)
- Re: AMBER: md and implicit solvation Jardas sucuriba (Tue Oct 24 2006 - 20:29:35 CDT)
- Re: AMBER: md and implicit solvation David A. Case (Tue Oct 24 2006 - 20:47:18 CDT)
- Re: AMBER: md and implicit solvation Thomas Cheatham (Tue Oct 24 2006 - 20:50:43 CDT)
- Re: AMBER: modeling of ligand concentrations David A. Case (Tue Oct 24 2006 - 20:56:14 CDT)
- Re: AMBER: modeling of ligand concentrations Sean Rathlef (Tue Oct 24 2006 - 21:30:54 CDT)
- Re: AMBER: modeling of ligand concentrations Sean Rathlef (Tue Oct 24 2006 - 21:29:43 CDT)
- AMBER: error estimate for free energy perturbation calculation jz7_at_duke.edu (Tue Oct 24 2006 - 23:15:26 CDT)
- Re: AMBER:pls help load peptoid residues in antechamber nur avneet (Wed Oct 25 2006 - 00:29:55 CDT)
- AMBER: Question regarding lastrst and taup Priti Hansia (Wed Oct 25 2006 - 01:37:09 CDT)
- AMBER: parameters !!?? Urszula Uciechowska (Wed Oct 25 2006 - 04:27:22 CDT)
- Re: AMBER: parameters !!?? cristian obiol (Wed Oct 25 2006 - 05:29:42 CDT)
- AMBER: Shake&Lone Pairs Lorenzo Gontrani (Wed Oct 25 2006 - 05:58:59 CDT)
- AMBER: amber9: SA Bomb in sa_arc Giulio Rastelli (Wed Oct 25 2006 - 06:03:54 CDT)
- Re: AMBER: parameters !!?? Urszula Uciechowska (Wed Oct 25 2006 - 08:32:49 CDT)
- Re: AMBER: Not getting proper structure after minimization Carlos Simmerling (Wed Oct 25 2006 - 08:45:38 CDT)
- Re: AMBER: Not getting proper structure after minimization Giulio Rastelli (Wed Oct 25 2006 - 08:52:48 CDT)
- AMBER: residence time& hydration density Andres Palencia (Wed Oct 25 2006 - 09:16:53 CDT)
- AMBER: reinstall amber8 Rachel (Wed Oct 25 2006 - 09:57:59 CDT)
- Re: AMBER: reinstall amber8 Wei Zhang (Wed Oct 25 2006 - 10:13:01 CDT)
- RE: AMBER: Question regarding lastrst and taup Ross Walker (Wed Oct 25 2006 - 10:46:52 CDT)
- Re: AMBER: Using modified NA bases Qizhi Cui (Wed Oct 25 2006 - 10:51:32 CDT)
- RE: AMBER: parameters !!?? Ross Walker (Wed Oct 25 2006 - 10:53:01 CDT)
- Re: AMBER: amber9: SA Bomb in sa_arc Ray Luo (Tue Oct 24 2006 - 16:55:24 CDT)
- Re: AMBER: error estimate for free energy perturbation calculation Chris Moth (Wed Oct 25 2006 - 11:58:14 CDT)
- Re: AMBER: RESP charges of iron-porphyrin system Marcelo Puiatti (Wed Oct 25 2006 - 12:42:07 CDT)
- Re: AMBER: Shake&Lone Pairs David A. Case (Wed Oct 25 2006 - 13:21:02 CDT)
- Re: AMBER: error estimate for free energy perturbation calculation David A. Case (Wed Oct 25 2006 - 13:40:47 CDT)
- AMBER: mm_pbsa: binding energy calculation Varsha Goyal (Wed Oct 25 2006 - 13:51:57 CDT)
- AMBER: How do we simulate deletion mutations Dave, Sonya (Wed Oct 25 2006 - 13:47:38 CDT)
- Re: AMBER: How do we simulate deletion mutations Fenghui Fan (Wed Oct 25 2006 - 15:13:20 CDT)
- Re: AMBER: error estimate for free energy perturbation calculation Fenghui Fan (Wed Oct 25 2006 - 15:34:42 CDT)
- AMBER: Phosphorylated protein MD simulation Fenghui Fan (Wed Oct 25 2006 - 16:16:50 CDT)
- RE: AMBER: How do we simulate deletion mutations Dave, Sonya (Wed Oct 25 2006 - 16:41:48 CDT)
- AMBER: CARNAL: carnal source code Keerthi Gottipati (Wed Oct 25 2006 - 17:14:41 CDT)
- RE: AMBER: How do we simulate deletion mutations Fenghui Fan (Wed Oct 25 2006 - 17:43:49 CDT)
- Re: AMBER: CARNAL: carnal source code Carlos Simmerling (Wed Oct 25 2006 - 18:06:08 CDT)
- Re: AMBER: error estimate for free energy perturbation calculation Ilyas Yildirim (Wed Oct 25 2006 - 18:17:36 CDT)
- RE: AMBER: Question regarding lastrst and taup Priti Hansia (Wed Oct 25 2006 - 23:58:10 CDT)
- AMBER: how to select the problematic residues(atoms) in VMD Rachel (Thu Oct 26 2006 - 06:00:21 CDT)
- Re: AMBER: amber9: SA Bomb in sa_arc Giulio Rastelli (Thu Oct 26 2006 - 05:56:43 CDT)
- Re: AMBER: how to select the problematic residues(atoms) in VMD Andres Palencia (Thu Oct 26 2006 - 06:56:31 CDT)
- AMBER: MM-PBSA memory usage Stefano Pieraccini (Thu Oct 26 2006 - 07:33:41 CDT)
- Re: AMBER: CARNAL: carnal source code Keerthi Gottipati (Thu Oct 26 2006 - 07:41:21 CDT)
- Re: AMBER: mm_pbsa: binding energy calculation Angelo (Thu Oct 26 2006 - 08:04:18 CDT)
- Re: AMBER: Phosphorylated protein MD simulation Myunggi Yi (Thu Oct 26 2006 - 10:18:26 CDT)
- Re: AMBER: Phosphorylated protein MD simulation Myunggi Yi (Thu Oct 26 2006 - 10:13:17 CDT)
- AMBER: Calculating native contacts for mdcrd files Anna Bowman (Thu Oct 26 2006 - 10:20:50 CDT)
- RE: AMBER: how to select the problematic residues(atoms) in VMD Ross Walker (Thu Oct 26 2006 - 10:26:22 CDT)
- Re: AMBER: residence time& hydration density Myunggi Yi (Thu Oct 26 2006 - 10:27:26 CDT)
- RE: AMBER: amber9: SA Bomb in sa_arc Ross Walker (Thu Oct 26 2006 - 10:38:05 CDT)
- Re: AMBER: amber9: SA Bomb in sa_arc Giulio Rastelli (Thu Oct 26 2006 - 10:58:50 CDT)
- Re: AMBER: amber9: SA Bomb in sa_arc Ray Luo (Wed Oct 25 2006 - 04:14:08 CDT)
- AMBER: how to add hydrogen molecules in the protein Rachel (Thu Oct 26 2006 - 11:28:16 CDT)
- RE: AMBER: amber9: SA Bomb in sa_arc Ross Walker (Thu Oct 26 2006 - 11:35:19 CDT)
- AMBER: error GRID command in ptraj Andres Palencia (Thu Oct 26 2006 - 12:39:19 CDT)
- RE: AMBER: How do we simulate deletion mutations Dave, Sonya (Thu Oct 26 2006 - 13:05:01 CDT)
- AMBER: Two different HIS ligands David LeBard (Thu Oct 26 2006 - 16:16:09 CDT)
- Re: AMBER: Two different HIS ligands Kristina Furse (Thu Oct 26 2006 - 16:41:49 CDT)
- AMBER: parameters for fluoromolecules with more than one single carbon? Jones de Andrade (Thu Oct 26 2006 - 16:51:27 CDT)
- Re: AMBER: Two different HIS ligands David LeBard (Thu Oct 26 2006 - 18:16:42 CDT)
- Re: AMBER: how to add hydrogen molecules in the protein David A. Case (Thu Oct 26 2006 - 19:57:22 CDT)
- AMBER: halogen bondi radii in mm_pbsa_calceneent.pm Giulio Rastelli (Fri Oct 27 2006 - 03:46:30 CDT)
- AMBER: mm_pbsa reference Angelo (Fri Oct 27 2006 - 07:47:07 CDT)
- AMBER: Compile AMBER 8 Esther Brugger (Fri Oct 27 2006 - 10:44:51 CDT)
- Re: AMBER: Compile AMBER 8 Mark Williamson (Fri Oct 27 2006 - 11:03:07 CDT)
- Re: AMBER: Compile AMBER 8 David A. Case (Fri Oct 27 2006 - 11:45:36 CDT)
- AMBER: where to set bondi radii for halogens Giulio Rastelli (Fri Oct 27 2006 - 11:59:00 CDT)
- AMBER: Amber: Parallel Installation Problems Maniopoulou, A \(Mina\) (Fri Oct 27 2006 - 12:13:56 CDT)
- RE: AMBER: Amber: Parallel Installation Problems Ross Walker (Fri Oct 27 2006 - 12:53:10 CDT)
- Re: AMBER: Compile AMBER 8 Esther Brugger (Fri Oct 27 2006 - 13:21:13 CDT)
- Re: AMBER: where to set bondi radii for halogens David A. Case (Fri Oct 27 2006 - 13:58:04 CDT)
- Re: AMBER: Compile AMBER 8 David A. Case (Fri Oct 27 2006 - 14:12:35 CDT)
- Re: AMBER: Compile AMBER 8 Esther Brugger (Fri Oct 27 2006 - 15:18:00 CDT)
- Re: AMBER: Compile AMBER 8 David A. Case (Fri Oct 27 2006 - 15:46:07 CDT)
- Re: AMBER: where to set bondi radii for halogens Giulio Rastelli (Fri Oct 27 2006 - 16:10:32 CDT)
- AMBER: Help with polarization force field norberto_at_ualberta.ca (Fri Oct 27 2006 - 18:20:09 CDT)
- Re: AMBER: where to set bondi radii for halogens David A. Case (Fri Oct 27 2006 - 19:24:12 CDT)
- AMBER: RESP charge fitting Mingfeng Yang (Fri Oct 27 2006 - 19:35:37 CDT)
- Re: AMBER: problem installing amber9 with g95 gcc on a fc5 m/c Sayandeep Purkayasth (Fri Oct 27 2006 - 20:25:37 CDT)
- Re: AMBER: problem installing amber9 with g95 gcc on a fc5 m/c David A. Case (Fri Oct 27 2006 - 23:42:08 CDT)
- Re: AMBER: RESP charge fitting FyD (Sat Oct 28 2006 - 01:37:59 CDT)
- AMBER: solvation and His protonation Jardas sucuriba (Sat Oct 28 2006 - 09:00:44 CDT)
- Re: AMBER: mm_pbsa: binding energy calculation Varsha Goyal (Sat Oct 28 2006 - 16:41:02 CDT)
- AMBER: imaging issue David Smith (Sun Oct 29 2006 - 10:26:07 CST)
- AMBER: ff02 force fields norberto_at_ualberta.ca (Sun Oct 29 2006 - 14:18:25 CST)
- AMBER: C -N -CT-CT torsion parameters John Vieceli (Sun Oct 29 2006 - 19:10:49 CST)
- Re: AMBER: problem with calcpka.pl David A. Case (Sun Oct 29 2006 - 22:33:54 CST)
- Re: AMBER: ff02 force fields David A. Case (Sun Oct 29 2006 - 23:17:44 CST)
- Re: AMBER: mm_pbsa: binding energy calculation Angelo (Mon Oct 30 2006 - 03:36:25 CST)
- AMBER: Closest(closest water) Sergey Samsonov (Mon Oct 30 2006 - 06:58:11 CST)
- Re: AMBER: Closest(closest water) Adrian Roitberg (Mon Oct 30 2006 - 07:12:13 CST)
- Re: AMBER: problem with calcpka.pl Benjamin Juhl (Mon Oct 30 2006 - 07:57:42 CST)
- Re: AMBER: Closest(closest water) Sergey Samsonov (Mon Oct 30 2006 - 08:27:40 CST)
- AMBER: periodic boundary condition question... HL Eastwood (Mon Oct 30 2006 - 08:42:53 CST)
- Re: AMBER: periodic boundary condition question... Sergey Samsonov (Mon Oct 30 2006 - 09:04:12 CST)
- Re: AMBER: periodic boundary condition question... HL Eastwood (Mon Oct 30 2006 - 09:19:16 CST)
- AMBER: how to restrain some residues in a NPT MD? Zhihong Yu (Mon Oct 30 2006 - 09:20:38 CST)
- Re: AMBER: Compile AMBER 8 Esther Brugger (Mon Oct 30 2006 - 09:28:08 CST)
- Re: AMBER: periodic boundary condition question... Sergey Samsonov (Mon Oct 30 2006 - 09:36:29 CST)
- RE: AMBER: periodic boundary condition question... Ross Walker (Mon Oct 30 2006 - 10:24:26 CST)
- Re: AMBER: periodic boundary condition question... David A. Case (Mon Oct 30 2006 - 10:32:56 CST)
- RE: AMBER: how to restrain some residues in a NPT MD? Ross Walker (Mon Oct 30 2006 - 10:34:46 CST)
- Re: AMBER: Compile AMBER 8 HL Eastwood (Mon Oct 30 2006 - 10:43:51 CST)
- Re: AMBER: periodic boundary condition question... HL Eastwood (Mon Oct 30 2006 - 10:52:04 CST)
- Re: AMBER: Compile AMBER 8 Esther Brugger (Mon Oct 30 2006 - 11:24:59 CST)
- Re: AMBER: Compile AMBER 8 HL Eastwood (Mon Oct 30 2006 - 11:37:22 CST)
- Re: AMBER: Compile AMBER 8 Esther Brugger (Mon Oct 30 2006 - 12:14:05 CST)
- Re: AMBER: problems for running sander.MPI Christophe Deprez (Mon Oct 30 2006 - 12:27:12 CST)
- Re: AMBER: imaging issue Kristina Furse (Mon Oct 30 2006 - 12:30:25 CST)
- Re: AMBER: ff02 force fields norberto_at_ualberta.ca (Mon Oct 30 2006 - 12:37:57 CST)
- RE: AMBER: problems for running sander.MPI Ross Walker (Mon Oct 30 2006 - 12:40:06 CST)
- Re: AMBER: Closest(closest water) Mingfeng Yang (Mon Oct 30 2006 - 14:29:00 CST)
- Re: AMBER: imaging issue Thomas Cheatham (Mon Oct 30 2006 - 14:54:20 CST)
- Re: AMBER: solvation and His protonation David A. Case (Mon Oct 30 2006 - 18:34:05 CST)
- AMBER: ff99SB vs ff02 (ff02pol.rl) Nicolas Lux Fawzi (Mon Oct 30 2006 - 19:48:32 CST)
- Re: AMBER: ff99SB vs ff02 (ff02pol.rl) Thomas Cheatham (Mon Oct 30 2006 - 20:15:18 CST)
- Re: AMBER: ff99SB vs ff02 (ff02pol.rl) David A. Case (Mon Oct 30 2006 - 20:57:48 CST)
- Re: AMBER: ff99SB vs ff02 (ff02pol.rl) Thomas Cheatham (Mon Oct 30 2006 - 23:07:46 CST)
- AMBER: Re: Problems installing antechamber 1.27 andrea carotti (Tue Oct 31 2006 - 02:17:49 CST)
- AMBER: what is the RMS value in resp charge fitting ? jitrayut jitonnom (Tue Oct 31 2006 - 02:46:31 CST)
- AMBER: MMPBSA entropy question Barbault Florent (Tue Oct 31 2006 - 03:08:55 CST)
- Re: AMBER: solvation and His protonation Jardas sucuriba (Tue Oct 31 2006 - 07:07:24 CST)
- AMBER: Problems with carnal (Amber7) anna.schrey_at_gmx.de (Tue Oct 31 2006 - 09:24:29 CST)
- Re: AMBER: solvation and His protonation David A. Case (Tue Oct 31 2006 - 09:57:53 CST)
- Re: AMBER: Problems with carnal (Amber7) Bill Ross (Tue Oct 31 2006 - 11:09:57 CST)
- AMBER: N1-protonated adenosine, N-terminal myristyl group Michael F. Summers (Tue Oct 31 2006 - 14:54:49 CST)
- Re: AMBER: problem with calcpka.pl Amber admin (Tue Oct 31 2006 - 18:33:09 CST)
- AMBER: mm_pbsa does not terminate Holly Freedman (Tue Oct 31 2006 - 18:51:19 CST)
- Re: AMBER: MMPBSA entropy question David A. Case (Tue Oct 31 2006 - 19:04:29 CST)
- Re: AMBER: amber9: SA Bomb in sa_arc Ray Luo (Tue Oct 31 2006 - 02:29:27 CST)
Last message date: Sat Dec 30 2006 - 07:20:23 CST
Archived on: Wed Feb 21 2007 - 22:44:16 CST
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