AMBER Archive (2007) - Oct 2007 By DateMost recent messages
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Starting: Mon Oct 01 2007 - 00:41:47 CDT
Ending: Wed Oct 31 2007 - 22:43:49 CST
- Re: AMBER: cyclohexane and decalin on amber Jones de Andrade (Mon Oct 01 2007 - 00:46:44 CDT)
- AMBER: regarding non bonded energy caculations gurpreet singh (Mon Oct 01 2007 - 00:41:47 CDT)
- Re: AMBER: cyclohexane and decalin on amber FyD (Mon Oct 01 2007 - 02:20:29 CDT)
- Re: AMBER: MAXPR san_amber roy (Mon Oct 01 2007 - 03:10:35 CDT)
- Re: AMBER: regarding non bonded energy caculations David A. Case (Mon Oct 01 2007 - 09:46:00 CDT)
- RE: AMBER: MAXPR Ross Walker (Mon Oct 01 2007 - 10:30:46 CDT)
- AMBER: atomicfluct Andres Palencia (Mon Oct 01 2007 - 13:12:20 CDT)
- AMBER: dihedrals Ed Pate (Mon Oct 01 2007 - 18:07:47 CDT)
- Re: AMBER: dihedrals FyD (Tue Oct 02 2007 - 01:36:30 CDT)
- Re: AMBER: MAXPR san_amber roy (Tue Oct 02 2007 - 01:58:03 CDT)
- AMBER: Constant pH Eddie Men (Tue Oct 02 2007 - 04:41:31 CDT)
- AMBER: constant pH Eddie Men (Tue Oct 02 2007 - 04:45:34 CDT)
- AMBER: multichain simulations priya priya (Tue Oct 02 2007 - 04:31:26 CDT)
- AMBER: How to get sane package caoch (Tue Oct 02 2007 - 05:09:26 CDT)
- Re: AMBER: dihedrals Carlos Simmerling (Tue Oct 02 2007 - 05:13:12 CDT)
- AMBER: multichain simulations priya priya (Tue Oct 02 2007 - 04:31:26 CDT)
- AMBER: Problems with cpin file Eddie Men (Tue Oct 02 2007 - 07:47:50 CDT)
- Re: AMBER: Problems with cpin file David A. Case (Tue Oct 02 2007 - 10:16:45 CDT)
- RE: AMBER: Re: IA64 / Altix Amber 9 Intel Compiler Problems. l_fc_c_9.0.031 Ross Walker (Tue Oct 02 2007 - 21:00:07 CDT)
- Re: AMBER: cyclohexane and decalin on amber Jones de Andrade (Tue Oct 02 2007 - 22:12:48 CDT)
- AMBER: parameterization for copper Syed Tarique Moin (Wed Oct 03 2007 - 05:45:33 CDT)
- AMBER: 31 integers in the first section of a prmtop file David Cerutti (Wed Oct 03 2007 - 11:58:03 CDT)
- Re: AMBER: 31 integers in the first section of a prmtop file Carlos Simmerling (Wed Oct 03 2007 - 12:15:14 CDT)
- RE: AMBER: 31 integers in the first section of a prmtop file Ross Walker (Wed Oct 03 2007 - 12:32:12 CDT)
- RE: AMBER: 31 integers in the first section of a prmtop file David Cerutti (Wed Oct 03 2007 - 13:47:42 CDT)
- Re: AMBER: 31 integers in the first section of a prmtop file Carlos Simmerling (Wed Oct 03 2007 - 13:54:22 CDT)
- Re: AMBER: 31 integers in the first section of a prmtop file David Cerutti (Wed Oct 03 2007 - 15:04:35 CDT)
- Re: AMBER: Problems with cpin file Eddie Men (Thu Oct 04 2007 - 00:07:11 CDT)
- AMBER: PBSA generate snapshots saccenti_at_cerm.unifi.it (Thu Oct 04 2007 - 04:17:04 CDT)
- AMBER: multi chain simulations priya priya (Thu Oct 04 2007 - 05:30:27 CDT)
- Re: AMBER: multi chain simulations Carlos Simmerling (Thu Oct 04 2007 - 05:35:22 CDT)
- Re: AMBER: multi chain simulations priya priya (Thu Oct 04 2007 - 06:07:44 CDT)
- Re: AMBER: multi chain simulations Carlos Simmerling (Thu Oct 04 2007 - 06:28:46 CDT)
- Re: AMBER: multi chain simulations priya priya (Thu Oct 04 2007 - 07:44:56 CDT)
- AMBER: binary restart file Myunggi Yi (Thu Oct 04 2007 - 09:49:28 CDT)
- AMBER: Problems with 'make' Hopkins, Robert (Thu Oct 04 2007 - 14:07:42 CDT)
- Re: AMBER: multi chain simulations Carlos Simmerling (Thu Oct 04 2007 - 14:43:44 CDT)
- Re: AMBER: Problems with cpin file Eddie Men (Thu Oct 04 2007 - 15:46:22 CDT)
- RE: AMBER: Problems with 'make' Ross Walker (Thu Oct 04 2007 - 15:55:25 CDT)
- Re: AMBER: Problems with cpin file Eduardo Mendez (Thu Oct 04 2007 - 16:11:06 CDT)
- AMBER: Applying bugfixes in Amber Lili Peng (Thu Oct 04 2007 - 16:28:29 CDT)
- RE: AMBER: Applying bugfixes in Amber Ross Walker (Thu Oct 04 2007 - 16:53:31 CDT)
- AMBER: generating topology files for PBSA saccenti_at_cerm.unifi.it (Fri Oct 05 2007 - 04:46:14 CDT)
- Re: AMBER: Simulation continuation problem. Cant read restart file!!!!!! Anthony Cruz (Fri Oct 05 2007 - 07:44:50 CDT)
- RE: AMBER: Problems with 'make' Hopkins, Robert (Fri Oct 05 2007 - 13:32:24 CDT)
- RE: AMBER: Problems with 'make' Ross Walker (Fri Oct 05 2007 - 15:14:20 CDT)
- Re: AMBER: Simulation continuation problem. Cant read restart file!!!!!! Gustavo Seabra (Fri Oct 05 2007 - 22:48:59 CDT)
- Re: AMBER: binary restart file Gustavo Seabra (Fri Oct 05 2007 - 22:56:02 CDT)
- AMBER: PMEMD configuration and scaling Lars.Skjarven_at_biomed.uib.no (Sat Oct 06 2007 - 06:35:03 CDT)
- Re: AMBER: PMEMD configuration and scaling Robert Duke (Sat Oct 06 2007 - 08:20:16 CDT)
- AMBER: request for hardware recommendations Parish, Carol (Sat Oct 06 2007 - 10:59:01 CDT)
- RE: AMBER: PMEMD configuration and scaling Ross Walker (Sat Oct 06 2007 - 11:27:16 CDT)
- Re: AMBER: request for hardware recommendations Carlos Simmerling (Sat Oct 06 2007 - 12:00:13 CDT)
- RE: AMBER: request for hardware recommendations Parish, Carol (Sat Oct 06 2007 - 12:20:13 CDT)
- Re: AMBER: request for hardware recommendations Andy Purkiss (Sat Oct 06 2007 - 12:53:23 CDT)
- RE: AMBER: request for hardware recommendations Ross Walker (Sat Oct 06 2007 - 20:45:14 CDT)
- AMBER: hey Eduardo Mendez (Sun Oct 07 2007 - 00:19:36 CDT)
- AMBER: PB Bomb Eddie Men (Sun Oct 07 2007 - 02:10:59 CDT)
- Re: AMBER: PB Bomb Eddie Men (Sun Oct 07 2007 - 03:03:52 CDT)
- AMBER: Transformation table Rajendra P. OJHA (Sun Oct 07 2007 - 05:12:37 CDT)
- AMBER: PMEMD configuration and scaling Lars.Skjarven_at_biomed.uib.no (Sun Oct 07 2007 - 05:40:00 CDT)
- Re: AMBER: PMEMD configuration and scaling Robert Duke (Sun Oct 07 2007 - 10:04:03 CDT)
- AMBER: Resp: "Statistics of the Fitting" Jones de Andrade (Sun Oct 07 2007 - 13:40:04 CDT)
- Re: AMBER: binary restart file Myunggi Yi (Sun Oct 07 2007 - 18:39:44 CDT)
- AMBER: regrading interaction energy calculations gurpreet singh (Sun Oct 07 2007 - 23:52:23 CDT)
- AMBER: Problems compiling Amber9 on IBM-AIX Sampath Koppole (Mon Oct 08 2007 - 06:42:20 CDT)
- AMBER: entropy with ptraj Marius Retegan (Mon Oct 08 2007 - 07:24:36 CDT)
- Re: AMBER: entropy with ptraj David A. Case (Mon Oct 08 2007 - 08:47:57 CDT)
- RE: AMBER: Problems compiling Amber9 on IBM-AIX Ross Walker (Mon Oct 08 2007 - 09:39:08 CDT)
- AMBER: adding extra points to amber - how to? Jones de Andrade (Mon Oct 08 2007 - 11:44:42 CDT)
- AMBER: RE: Amber query !! Ross Walker (Mon Oct 08 2007 - 12:02:36 CDT)
- AMBER: Amber9 installation error on Mandriva 2007 linux Joe Nolan (Mon Oct 08 2007 - 12:07:58 CDT)
- Re: AMBER: Amber9 installation error on Mandriva 2007 linux Mark Williamson (Mon Oct 08 2007 - 12:31:39 CDT)
- AMBER: Quick QUESTION Eddie Men (Mon Oct 08 2007 - 23:23:49 CDT)
- Re: AMBER: Quick QUESTION Eddie Men (Tue Oct 09 2007 - 00:02:10 CDT)
- AMBER: Heat capacity, diffusivity way off in this simulation of SPC/E water? David Cerutti (Tue Oct 09 2007 - 00:25:43 CDT)
- Re: AMBER: Heat capacity, diffusivity way off in this simulation of SPC/E water? Steven Winfield (Tue Oct 09 2007 - 05:06:53 CDT)
- AMBER: PMEMD configuration and scaling Lars.Skjarven_at_biomed.uib.no (Tue Oct 09 2007 - 05:05:37 CDT)
- Re: AMBER: PMEMD configuration and scaling Robert Duke (Tue Oct 09 2007 - 08:15:34 CDT)
- Re: AMBER: PMEMD configuration and scaling Lars Skjærven (Tue Oct 09 2007 - 08:56:09 CDT)
- Re: AMBER: Heat capacity, diffusivity way off in this simulation of SPC/E water? David A. Case (Tue Oct 09 2007 - 09:09:02 CDT)
- AMBER: RE: antechamber Ross Walker (Tue Oct 09 2007 - 11:51:57 CDT)
- AMBER: interaction energy calculations gurpreet singh (Tue Oct 09 2007 - 12:06:24 CDT)
- Re: AMBER: interaction energy calculations Scott Pendley (Tue Oct 09 2007 - 15:51:25 CDT)
- Re: AMBER: follow-up Wenyong Tong (Tue Oct 09 2007 - 15:56:04 CDT)
- AMBER: neb for path between binding sites Holly Freedman (Tue Oct 09 2007 - 16:09:50 CDT)
- RE: AMBER: follow-up Ross Walker (Tue Oct 09 2007 - 16:24:50 CDT)
- Re: AMBER: neb for path between binding sites Carlos Simmerling (Tue Oct 09 2007 - 16:25:27 CDT)
- AMBER: Thermodynamic Integration with Explicit Solvent Scott Pendley (Tue Oct 09 2007 - 16:38:03 CDT)
- Re: AMBER: Thermodynamic Integration with Explicit Solvent Thomas Steinbrecher (Tue Oct 09 2007 - 19:12:13 CDT)
- Re: AMBER: Thermodynamic Integration with Explicit Solvent Scott Pendley (Tue Oct 09 2007 - 20:09:14 CDT)
- Re: AMBER: Thermodynamic Integration with Explicit Solvent David A. Case (Tue Oct 09 2007 - 21:36:38 CDT)
- Re: AMBER: neb for path between binding sites Holly Freedman (Tue Oct 09 2007 - 18:35:19 CDT)
- Re: AMBER: neb for path between binding sites Holly Freedman (Tue Oct 09 2007 - 18:37:20 CDT)
- Re: AMBER: Resp: "Statistics of the Fitting" FyD (Tue Oct 09 2007 - 23:53:05 CDT)
- AMBER: error in modified PNA -DNA simulation.. Sharad gupta (Wed Oct 10 2007 - 05:39:07 CDT)
- Re: AMBER: Resp: "Statistics of the Fitting" Jones de Andrade (Wed Oct 10 2007 - 11:05:09 CDT)
- AMBER: ff99SB and the N- and C- charged terminal residues Nicolas Lux Fawzi (Wed Oct 10 2007 - 11:03:09 CDT)
- Re: AMBER: ff99SB and the N- and C- charged terminal residues Carlos Simmerling (Wed Oct 10 2007 - 12:37:13 CDT)
- AMBER: Error- MM_PBSA calculation vikky 99 (Wed Oct 10 2007 - 12:44:53 CDT)
- Re: AMBER: Thermodynamic Integration with Explicit Solvent Scott Pendley (Wed Oct 10 2007 - 17:39:12 CDT)
- Re: AMBER: Thermodynamic Integration with Explicit Solvent Scott Pendley (Wed Oct 10 2007 - 17:38:20 CDT)
- AMBER: constant-pH MD with replica exchange Maciej Dlugosz (Thu Oct 11 2007 - 01:38:49 CDT)
- AMBER: Error- MM_PBSA calculation vikky 99 (Thu Oct 11 2007 - 02:28:25 CDT)
- AMBER: BOMB! Eddie Men (Thu Oct 11 2007 - 05:12:49 CDT)
- AMBER: lipid bilayer san_amber roy (Thu Oct 11 2007 - 06:52:42 CDT)
- Re: AMBER: lipid bilayer Vlad Cojocaru (Thu Oct 11 2007 - 07:09:23 CDT)
- Re: AMBER: lipid bilayer cgji (Thu Oct 11 2007 - 09:38:45 CDT)
- AMBER: Error- MM_PBSA calculation vikky 99 (Thu Oct 11 2007 - 10:01:23 CDT)
- Re: AMBER: constant-pH MD with replica exchange Adrian Roitberg (Thu Oct 11 2007 - 10:33:30 CDT)
- Re: AMBER: constant-pH MD with replica exchange Carlos Simmerling (Thu Oct 11 2007 - 13:30:34 CDT)
- Re: AMBER: constant-pH MD with replica exchange Adrian Roitberg (Thu Oct 11 2007 - 13:55:18 CDT)
- Re: AMBER: Error- MM_PBSA calculation Scott Pendley (Thu Oct 11 2007 - 16:56:43 CDT)
- Re: AMBER: BOMB! Scott Brozell (Thu Oct 11 2007 - 18:59:50 CDT)
- Re: AMBER: error in modified PNA -DNA simulation.. Scott Brozell (Thu Oct 11 2007 - 19:26:11 CDT)
- AMBER: Missing 'yacc' command Hopkins, Robert (Sat Oct 13 2007 - 17:00:00 CDT)
- AMBER: Please Disregard My Last E-mail: Missing 'yacc' command Hopkins, Robert (Sat Oct 13 2007 - 18:04:11 CDT)
- AMBER: error in modified PNA DNA simulation Sharad gupta (Mon Oct 15 2007 - 00:35:13 CDT)
- AMBER: anal calculatons gurpreet singh (Mon Oct 15 2007 - 02:19:33 CDT)
- Re: AMBER: anal calculatons Eddie Men (Mon Oct 15 2007 - 02:43:02 CDT)
- AMBER: RED III Age.Skjevik_at_student.uib.no (Mon Oct 15 2007 - 05:06:49 CDT)
- Re: AMBER: RED III FyD (Mon Oct 15 2007 - 05:20:47 CDT)
- AMBER: using amber for cyclic peptides rebeca_at_mmb.pcb.ub.es (Mon Oct 15 2007 - 12:23:50 CDT)
- Re: AMBER: using amber for cyclic peptides FyD (Mon Oct 15 2007 - 12:53:54 CDT)
- AMBER: Water cap MD error Rima Chaudhuri (Mon Oct 15 2007 - 17:17:07 CDT)
- Re: AMBER: anal calculatons gurpreet singh (Mon Oct 15 2007 - 23:17:47 CDT)
- Re: Re: AMBER: anal calculatons cgji (Tue Oct 16 2007 - 00:48:09 CDT)
- AMBER: MM_PBSA calcultion- help me varsha rani (Tue Oct 16 2007 - 00:53:14 CDT)
- AMBER: Test fails in Parallel version Amber9 gong wb (Tue Oct 16 2007 - 01:42:45 CDT)
- AMBER: amber9 installation problem Madjid Taghdir (Tue Oct 16 2007 - 03:46:05 CDT)
- Re: AMBER: MM_PBSA calcultion- help me S.Sundar Raman (Tue Oct 16 2007 - 08:58:50 CDT)
- AMBER: anal calculation error gurpreet singh (Tue Oct 16 2007 - 12:07:20 CDT)
- Re: AMBER: amber9 installation problem Scott Brozell (Tue Oct 16 2007 - 12:15:04 CDT)
- Re: AMBER: MM_PBSA calcultion- help me Scott Pendley (Tue Oct 16 2007 - 12:24:34 CDT)
- Re: AMBER: Test fails in Parallel version Amber9 Scott Brozell (Tue Oct 16 2007 - 13:35:24 CDT)
- AMBER: AMBER 9 - Force Field Options - Question dpandit_at_brandeis.edu (Tue Oct 16 2007 - 15:41:33 CDT)
- Re: AMBER: MM_PBSA calcultion- help me varsha rani (Wed Oct 17 2007 - 00:40:48 CDT)
- Re: AMBER: Test fails in Parallel version Amber9 gong wb (Wed Oct 17 2007 - 02:54:30 CDT)
- Re: AMBER: Test fails in Parallel version Amber9 gong wb (Wed Oct 17 2007 - 03:04:13 CDT)
- Re: AMBER: AMBER 9 - Force Field Options - Question Carlos Simmerling (Wed Oct 17 2007 - 08:54:51 CDT)
- Re: AMBER: AMBER 9 - Force Field Options - Question dpandit_at_brandeis.edu (Wed Oct 17 2007 - 10:27:12 CDT)
- Re: AMBER: AMBER 9 - Force Field Options - Question WANG,YING (Wed Oct 17 2007 - 10:47:05 CDT)
- RE: AMBER: AMBER 9 - Force Field Options - Question Yong Duan (Wed Oct 17 2007 - 11:25:16 CDT)
- AMBER: anal error gurpreet singh (Wed Oct 17 2007 - 13:14:52 CDT)
- AMBER: error while Running TMD gurpreet singh (Wed Oct 17 2007 - 13:21:18 CDT)
- Re: AMBER: AMBER 9 - Force Field Options - Question Adrian Roitberg (Wed Oct 17 2007 - 13:26:56 CDT)
- Re: AMBER: error while Running TMD Carlos Simmerling (Wed Oct 17 2007 - 13:50:45 CDT)
- RE: AMBER: AMBER 9 - Force Field Options - Question WANG,YING (Wed Oct 17 2007 - 14:11:19 CDT)
- RE: AMBER: AMBER 9 - Force Field Options - Question Yong Duan (Wed Oct 17 2007 - 15:47:55 CDT)
- AMBER: Temperature fluctuation in NPT and NVE ensemble Lei Jia (Wed Oct 17 2007 - 18:46:29 CDT)
- Re: AMBER: Temperature fluctuation in NPT and NVE ensemble Robert Duke (Wed Oct 17 2007 - 20:44:47 CDT)
- Re: AMBER: error while Running TMD gurpreet singh (Wed Oct 17 2007 - 23:19:54 CDT)
- AMBER: anal gurpreet singh (Wed Oct 17 2007 - 23:35:23 CDT)
- Re: AMBER: error while Running TMD Carlos Simmerling (Thu Oct 18 2007 - 05:01:07 CDT)
- Re: AMBER: AMBER 9 - Force Field Options - Question Carlos Simmerling (Thu Oct 18 2007 - 05:06:44 CDT)
- AMBER: how to simulate a ligand bound to a residue Jena M (Thu Oct 18 2007 - 08:49:55 CDT)
- AMBER: Simulation died due to lack of disk space Samantha Kaye (Thu Oct 18 2007 - 08:57:57 CDT)
- RE: AMBER: Simulation died due to lack of disk space Ross Walker (Thu Oct 18 2007 - 09:53:50 CDT)
- RE: AMBER: AMBER 9 - Force Field Options - Question Yong Duan (Thu Oct 18 2007 - 11:21:00 CDT)
- Re: AMBER: how to simulate a ligand bound to a residue Thomas Steinbrecher (Thu Oct 18 2007 - 13:29:25 CDT)
- Re: AMBER: AMBER 9 - Force Field Options - Question Adrian Roitberg (Thu Oct 18 2007 - 13:56:23 CDT)
- RE: AMBER: Simulation died due to lack of disk space Bill Ross (Thu Oct 18 2007 - 14:00:33 CDT)
- AMBER: Energy calculations. Karen Callahan (Thu Oct 18 2007 - 14:15:29 CDT)
- RE: AMBER: AMBER 9 - Force Field Options - Question Yong Duan (Thu Oct 18 2007 - 14:18:01 CDT)
- Re: AMBER: how to simulate a ligand bound to a residue FyD (Thu Oct 18 2007 - 16:02:13 CDT)
- AMBER: Backbone flexibility/entropy Seth Lilavivat (Thu Oct 18 2007 - 16:47:37 CDT)
- AMBER: FORTRAN code for calculating ENERGY of all the four terms (bonds, angles, dihedrals, nonbanded pairs) of Amber8's sander Jiapu.Zhang_at_csiro.au (Thu Oct 18 2007 - 18:15:05 CDT)
- Re: AMBER: FORTRAN code for calculating ENERGY of all the four terms (bonds, angles, dihedrals, nonbanded pairs) of Amber8's sander Thomas Steinbrecher (Thu Oct 18 2007 - 18:43:47 CDT)
- Re: AMBER: Test fails in Parallel version Amber9 gong wb (Thu Oct 18 2007 - 21:00:44 CDT)
- AMBER: subroutine ephi !! Sampath Koppole (Fri Oct 19 2007 - 03:08:26 CDT)
- AMBER: mm_pbsa: missing values in ras-raf tutorials merc mertens (Fri Oct 19 2007 - 03:28:09 CDT)
- Re: AMBER: Simulation died due to lack of disk space Samantha Kaye (Fri Oct 19 2007 - 04:23:33 CDT)
- Re: AMBER: subroutine ephi !! Tom Darden (Fri Oct 19 2007 - 07:06:33 CDT)
- RE: AMBER: Test fails in Parallel version Amber9 Ross Walker (Fri Oct 19 2007 - 09:24:47 CDT)
- AMBER: Abnormality in MM-PBSA result msubhamoy_at_ibab.ac.in (Fri Oct 19 2007 - 10:01:16 CDT)
- Re: AMBER: Abnormality in MM-PBSA result Thomas Cheatham III (Fri Oct 19 2007 - 10:56:36 CDT)
- Re: AMBER: Simulation died due to lack of disk space Bill Ross (Fri Oct 19 2007 - 10:59:31 CDT)
- RE: AMBER: Simulation died due to lack of disk space Ross Walker (Fri Oct 19 2007 - 11:25:20 CDT)
- AMBER: How to use loadpdbusingseq command to load branched structure? Siang Yip (Fri Oct 19 2007 - 12:21:36 CDT)
- Re: AMBER: Simulation died due to lack of disk space Robert Duke (Fri Oct 19 2007 - 12:25:21 CDT)
- AMBER: question about h bond WANG,YING (Fri Oct 19 2007 - 19:19:36 CDT)
- RE: AMBER: question about h bond Yong Duan (Fri Oct 19 2007 - 19:41:19 CDT)
- AMBER: Heat capacity calculations not coming out right David Cerutti (Fri Oct 19 2007 - 21:37:38 CDT)
- AMBER: Addendum: Heat capacity calculations not coming out right David Cerutti (Fri Oct 19 2007 - 22:31:46 CDT)
- RE: AMBER: question about h bond WANG,YING (Fri Oct 19 2007 - 23:07:49 CDT)
- Re: AMBER: Addendum: Heat capacity calculations not coming out right Robert Duke (Fri Oct 19 2007 - 23:24:30 CDT)
- AMBER: Interactive Molecular Dynamics with Amber? Marc Baaden (Sat Oct 20 2007 - 17:10:23 CDT)
- Re: AMBER: Addendum: Heat capacity calculations not coming out right David Cerutti (Sat Oct 20 2007 - 17:47:05 CDT)
- AMBER: How to intergrate the area under a curve. Catein Catherine (Mon Oct 22 2007 - 01:34:16 CDT)
- Re: AMBER: Test fails in Parallel version Amber9 gong wb (Mon Oct 22 2007 - 01:52:48 CDT)
- Re: AMBER: How to intergrate the area under a curve. Ilyas Yildirim (Mon Oct 22 2007 - 02:17:07 CDT)
- AMBER: EVB Calculations Jimmy Heimdal (Mon Oct 22 2007 - 01:30:48 CDT)
- AMBER: Problems loading pdb file including Mg ions Idan Gabdank (Mon Oct 22 2007 - 10:53:12 CDT)
- AMBER: results from TI Holly Freedman (Mon Oct 22 2007 - 11:42:26 CDT)
- AMBER: SASA per residue Evan Kelly (Mon Oct 22 2007 - 11:59:26 CDT)
- Re: AMBER: results from TI Thomas Steinbrecher (Mon Oct 22 2007 - 12:35:15 CDT)
- AMBER: Solved: Heat capacity calculations not coming out right David Cerutti (Mon Oct 22 2007 - 13:01:32 CDT)
- Re: AMBER: results from TI Holly Freedman (Mon Oct 22 2007 - 14:03:20 CDT)
- Re: AMBER: Problems loading pdb file including Mg ions Peter Varnai (Tue Oct 23 2007 - 05:38:53 CDT)
- Re: AMBER: results from TI David Mobley (Tue Oct 23 2007 - 08:40:26 CDT)
- AMBER: question about charge of prmtop file WANG,YING (Tue Oct 23 2007 - 09:11:22 CDT)
- Re: AMBER: question about charge of prmtop file Thomas Steinbrecher (Tue Oct 23 2007 - 10:41:09 CDT)
- Re: AMBER: question about charge of prmtop file WANG,YING (Tue Oct 23 2007 - 11:08:15 CDT)
- AMBER: Beowulf cluster from PSSC Labs Aaron Greenwood (Tue Oct 23 2007 - 11:22:33 CDT)
- Re: AMBER: results from TI Holly Freedman (Tue Oct 23 2007 - 11:57:42 CDT)
- AMBER: Portland Group vs. Intel Compilers. Aaron Greenwood (Tue Oct 23 2007 - 12:03:43 CDT)
- Re: AMBER: results from TI David Mobley (Tue Oct 23 2007 - 12:09:31 CDT)
- Re: AMBER: Portland Group vs. Intel Compilers. Alexandar T Tzanov (Tue Oct 23 2007 - 12:11:46 CDT)
- RE: AMBER: Beowulf cluster from PSSC Labs Ross Walker (Tue Oct 23 2007 - 12:28:29 CDT)
- RE: AMBER: Portland Group vs. Intel Compilers. Ross Walker (Tue Oct 23 2007 - 12:35:45 CDT)
- Re: AMBER: Portland Group vs. Intel Compilers. Robert Duke (Tue Oct 23 2007 - 12:46:52 CDT)
- Re: AMBER: results from TI Thomas Steinbrecher (Tue Oct 23 2007 - 13:07:30 CDT)
- Re: RE: AMBER: Portland Group vs. Intel Compilers. Alexandar T Tzanov (Tue Oct 23 2007 - 13:35:25 CDT)
- RE: RE: AMBER: Portland Group vs. Intel Compilers. Ross Walker (Tue Oct 23 2007 - 14:02:42 CDT)
- Re: AMBER: Portland Group vs. Intel Compilers. Andreas Svrcek-Seiler (Tue Oct 23 2007 - 15:24:29 CDT)
- Re: AMBER: results from TI Holly Freedman (Tue Oct 23 2007 - 15:29:00 CDT)
- Re: AMBER: results from TI Thomas Steinbrecher (Tue Oct 23 2007 - 16:25:24 CDT)
- Re: AMBER: Test fails in Parallel version Amber9 gong wb (Tue Oct 23 2007 - 20:37:20 CDT)
- AMBER: An enquiry about "Dynamics of ligand escape from the heme pocket of myoglobin (JACS, 1988, 110, 7690 Catein Catherine (Wed Oct 24 2007 - 07:04:42 CDT)
- Re: AMBER: Problems loading pdb file including Mg ions Idan Gabdank (Wed Oct 24 2007 - 08:05:46 CDT)
- RE: AMBER: question about charge of prmtop file Steve Spronk (Wed Oct 24 2007 - 09:21:25 CDT)
- Re: AMBER: results from TI David Mobley (Wed Oct 24 2007 - 09:18:50 CDT)
- Re: AMBER: An enquiry about "Dynamics of ligand escape from the heme pocket of myoglobin (JACS, 1988, 110, 7690 David Mobley (Wed Oct 24 2007 - 09:20:43 CDT)
- RE: AMBER: question about charge of prmtop file WANG,YING (Wed Oct 24 2007 - 09:44:20 CDT)
- Re: AMBER: heme forcefield atom types L. W. Yang (Wed Oct 24 2007 - 11:18:31 CDT)
- Re: AMBER: Problems loading pdb file including Mg ions Bill Ross (Wed Oct 24 2007 - 12:21:43 CDT)
- AMBER: prepin file format description; pointers on parameterization David Mobley (Wed Oct 24 2007 - 12:52:24 CDT)
- RE: AMBER: heme forcefield atom types Yang, Lee-Wei (Wed Oct 24 2007 - 13:41:29 CDT)
- AMBER: regarding anal calculations gurpreet singh (Wed Oct 24 2007 - 13:50:49 CDT)
- Re: AMBER: prepin file format description; pointers on parameterization FyD (Wed Oct 24 2007 - 14:09:09 CDT)
- AMBER: hbond analysis output Claire Zerafa (Wed Oct 24 2007 - 14:21:02 CDT)
- Re: AMBER: prepin file format description; pointers on parameterization David Mobley (Wed Oct 24 2007 - 14:31:02 CDT)
- Re: AMBER: prepin file format description; pointers on parameterization FyD (Wed Oct 24 2007 - 15:13:37 CDT)
- Re: AMBER: prepin file format description; pointers on parameterization David Mobley (Wed Oct 24 2007 - 15:45:54 CDT)
- Re: AMBER: prepin file format description; pointers on parameterization David Mobley (Wed Oct 24 2007 - 18:35:26 CDT)
- Re: AMBER: prepin file format description; pointers on parameterization David Mobley (Wed Oct 24 2007 - 18:58:35 CDT)
- Re: AMBER: prepin file format description; pointers on parameterization David A. Case (Wed Oct 24 2007 - 19:27:39 CDT)
- Re: AMBER: prepin file format description; pointers on parameterization David Mobley (Wed Oct 24 2007 - 19:58:45 CDT)
- Re: AMBER: prepin file format description; pointers on parameterization FyD (Thu Oct 25 2007 - 00:14:32 CDT)
- Re: AMBER: prepin file format description; pointers on parameterization FyD (Thu Oct 25 2007 - 00:27:33 CDT)
- Re: AMBER: prepin file format description; pointers on parameterization FyD (Thu Oct 25 2007 - 01:54:33 CDT)
- AMBER: Polarizable Force Field: Ligand Parameterization et al. Anselm Horn (Thu Oct 25 2007 - 04:00:03 CDT)
- AMBER: Pre-requisites for AMBER software Anamika Awasthi (Thu Oct 25 2007 - 07:05:19 CDT)
- AMBER: &dipole input and some questions on using polarizable force fields Seongeun Yang (Thu Oct 25 2007 - 08:11:48 CDT)
- RE: AMBER: hbond analysis output Steve Spronk (Thu Oct 25 2007 - 08:10:05 CDT)
- Re: AMBER: prepin file format description; pointers on parameterization FyD (Thu Oct 25 2007 - 08:15:52 CDT)
- AMBER: problems compiling amber on mac OSX francesco zonta (Thu Oct 25 2007 - 08:50:04 CDT)
- AMBER: Including crystal water when using united-atom forcefield leaprc.ff03ua Yang, Lee-Wei (Thu Oct 25 2007 - 09:46:00 CDT)
- AMBER: ANGVE/TORAVE Abi Ghanem josephine (Thu Oct 25 2007 - 10:58:11 CDT)
- RE: AMBER: Polarizable Force Field: Ligand Parameterization et al. Yong Duan (Thu Oct 25 2007 - 12:02:55 CDT)
- RE: AMBER: Including crystal water when using united-atom forcefield leaprc.ff03ua Ray Luo (Thu Oct 25 2007 - 13:20:14 CDT)
- Re: AMBER: ANGVE/TORAVE Kyle Brown (Thu Oct 25 2007 - 13:33:52 CDT)
- Re: AMBER: prepin file format description; pointers on parameterization David Mobley (Thu Oct 25 2007 - 15:39:08 CDT)
- Re: AMBER: prepin file format description; pointers on parameterization David Mobley (Thu Oct 25 2007 - 15:41:06 CDT)
- RE: AMBER: Including crystal water when using united-atom forcefield leaprc.ff03ua Yang, Lee-Wei (Fri Oct 26 2007 - 00:52:56 CDT)
- Re: AMBER: prepin file format description; pointers on parameterization FyD (Fri Oct 26 2007 - 01:40:46 CDT)
- RE: AMBER: Polarizable Force Field: Ligand Parameterization et al. Catein Catherine (Fri Oct 26 2007 - 02:17:16 CDT)
- AMBER: Average absolute value of cross velocity (Rate constant from PMF) Catein Catherine (Fri Oct 26 2007 - 02:26:58 CDT)
- AMBER: How to calculate the time-dependent transmission coefficient for rate constant esimation from PMF ca Catein Catherine (Fri Oct 26 2007 - 02:28:57 CDT)
- AMBER: HG atoms in CYX residues francesco zonta (Fri Oct 26 2007 - 04:45:32 CDT)
- Re: AMBER: HG atoms in CYX residues Carlos Simmerling (Fri Oct 26 2007 - 05:20:05 CDT)
- AMBER: Heme and CYS !! Pradipta Bandyopadhyay (Fri Oct 26 2007 - 05:49:47 CDT)
- AMBER: segmentation fault occured doing MD priya priya (Fri Oct 26 2007 - 06:51:31 CDT)
- Re: AMBER: prepin file format description; pointers on parameterization FyD (Fri Oct 26 2007 - 07:45:10 CDT)
- AMBER: Umbrella sampling Jena M (Fri Oct 26 2007 - 08:48:26 CDT)
- Re: AMBER: Umbrella sampling Adrian Roitberg (Fri Oct 26 2007 - 09:11:14 CDT)
- Re: AMBER: Average absolute value of cross velocity (Rate constant from PMF) David A. Case (Fri Oct 26 2007 - 10:22:40 CDT)
- Re: AMBER: HG atoms in CYX residues David A. Case (Fri Oct 26 2007 - 10:28:36 CDT)
- Re: AMBER: segmentation fault occured doing MD David A. Case (Fri Oct 26 2007 - 10:32:07 CDT)
- Re: AMBER: problems compiling amber on mac OSX David A. Case (Fri Oct 26 2007 - 10:48:35 CDT)
- RE: AMBER: &dipole input and some questions on using polarizable force fields Ross Walker (Fri Oct 26 2007 - 11:28:57 CDT)
- Re: AMBER: Umbrella sampling Jerome.GOLEBIOWSKI_at_unice.fr (Fri Oct 26 2007 - 12:08:09 CDT)
- Re: AMBER: Including crystal water when using united-atom forcefield leaprc.ff03ua Ray Luo (Fri Oct 26 2007 - 12:31:03 CDT)
- Re: AMBER: &dipole input and some questions on using polarizable force fields Seongeun Yang (Sat Oct 27 2007 - 00:03:36 CDT)
- Re: AMBER: problems compiling amber on mac OSX Mengjuei Hsieh (Sat Oct 27 2007 - 04:31:04 CDT)
- Re: AMBER: problems compiling amber on mac OSX francesco zonta (Sat Oct 27 2007 - 07:03:51 CDT)
- Re: AMBER: problems compiling amber on mac OSX Mengjuei Hsieh (Sat Oct 27 2007 - 14:41:26 CDT)
- AMBER: RE: about deoxy- and oxy- heme Yang, Lee-Wei (Sun Oct 28 2007 - 02:52:58 CST)
- AMBER: How can i calculate generalized order parameters using ptraj. cgji (Sun Oct 28 2007 - 08:59:37 CST)
- AMBER: replica exchange Geoff Wood (Sun Oct 28 2007 - 10:29:42 CST)
- Re: AMBER: replica exchange Robert Duke (Sun Oct 28 2007 - 10:38:04 CST)
- Re: AMBER: replica exchange Carlos Simmerling (Sun Oct 28 2007 - 10:38:15 CST)
- AMBER: Amber FF parameters for the Zinc-hydroxammate interaction snoze pa (Sun Oct 28 2007 - 18:59:26 CST)
- AMBER: calculation of angle between helices Anupam Nath Jha (Mon Oct 29 2007 - 00:06:37 CST)
- AMBER: The number of the path atoms exceeds MAXPATHATOMNUM VANIA MARIA AMARO CALISTO (Mon Oct 29 2007 - 06:13:01 CST)
- AMBER: RED-vIII fails Jesper Soerensen (Mon Oct 29 2007 - 08:51:56 CST)
- RE: AMBER: &dipole input and some questions on using polarizable force fields Ross Walker (Mon Oct 29 2007 - 09:31:00 CST)
- AMBER: Getting prmtop and inpcrd Francesco Pietra (Mon Oct 29 2007 - 09:43:44 CST)
- Re: AMBER: Getting prmtop and inpcrd Carlos Simmerling (Mon Oct 29 2007 - 09:47:33 CST)
- Re: AMBER: RED-vIII fails FyD (Mon Oct 29 2007 - 10:25:09 CST)
- Re: AMBER: Getting prmtop and inpcrd Francesco Pietra (Mon Oct 29 2007 - 10:51:23 CST)
- AMBER: amber with periodic condition Mattia Mori - CERM (Mon Oct 29 2007 - 11:16:14 CST)
- Re: AMBER: Getting prmtop and inpcrd Bill Ross (Mon Oct 29 2007 - 13:26:16 CST)
- AMBER: mdfil: Error unknown flag: -p4pg Aaron Greenwood (Mon Oct 29 2007 - 13:38:44 CST)
- AMBER: AMBER 8: QMMM - molecule fluctuates wildly Seth Lilavivat (Mon Oct 29 2007 - 14:40:06 CST)
- AMBER: AMBER 8: QMMM - molecule fluctuates wildly Seth Lilavivat (Mon Oct 29 2007 - 14:40:06 CST)
- AMBER: Amber9 parallel installation error (with openMPI) Joe Nolan (Mon Oct 29 2007 - 15:02:10 CST)
- RE: AMBER: AMBER 8: QMMM - molecule fluctuates wildly Ross Walker (Mon Oct 29 2007 - 15:06:45 CST)
- Re: AMBER: Amber9 parallel installation error (with openMPI) Wei Zhang (Mon Oct 29 2007 - 15:16:45 CST)
- AMBER: Amber 9 source code permissions (UNCLASSIFIED) Monaghan, Martin (Cont, ARL/CISD) (Mon Oct 29 2007 - 15:30:30 CST)
- Re: AMBER: Amber9 parallel installation error (with openMPI) Joe Nolan (Mon Oct 29 2007 - 15:55:43 CST)
- Re: AMBER: Amber9 parallel installation error (with openMPI) Wei Zhang (Mon Oct 29 2007 - 16:16:49 CST)
- Re: AMBER: Amber9 parallel installation error (with openMPI) Joe Nolan (Mon Oct 29 2007 - 16:30:25 CST)
- RE: AMBER: Amber 9 source code permissions (UNCLASSIFIED) Ross Walker (Mon Oct 29 2007 - 17:18:50 CST)
- Re: AMBER: mdfil: Error unknown flag: -p4pg David A. Case (Mon Oct 29 2007 - 20:46:01 CST)
- Re: AMBER: &dipole input and some questions on using polarizable force fields Seongeun Yang (Tue Oct 30 2007 - 00:14:13 CST)
- Re: AMBER: RED-vIII fails Jesper Soerensen (Tue Oct 30 2007 - 03:16:36 CST)
- AMBER: anal problem varsha rani (Tue Oct 30 2007 - 05:48:03 CST)
- Re: AMBER: mdfil: Error unknown flag: -p4pg Aaron Greenwood (Tue Oct 30 2007 - 06:03:29 CST)
- Re: AMBER: &dipole input and some questions on using polarizable force fields David A. Case (Tue Oct 30 2007 - 07:42:44 CST)
- Re: AMBER: &dipole input and some questions on using polarizable force fields Seongeun Yang (Tue Oct 30 2007 - 09:19:32 CST)
- Re: AMBER: &dipole input and some questions on using polarizable force fields David A. Case (Tue Oct 30 2007 - 09:58:20 CST)
- AMBER: Amber9 parallel installation error (retry) Joe Nolan (Tue Oct 30 2007 - 12:25:35 CST)
- Re: AMBER: RED-vIII fails FyD (Tue Oct 30 2007 - 15:38:03 CST)
- AMBER: dihedral angles Jardas sucuriba (Tue Oct 30 2007 - 18:43:10 CST)
- Re: AMBER: &dipole input and some questions on using polarizable force fields Seongeun Yang (Tue Oct 30 2007 - 21:52:45 CST)
- AMBER: Question about ptraj matrix correl command Catein Catherine (Wed Oct 31 2007 - 01:18:55 CST)
- AMBER: antechamber fails with large molecules VANIA MARIA AMARO CALISTO (Wed Oct 31 2007 - 03:26:14 CST)
- AMBER: problems visualizing mdcrd in VMD Mattia Mori - CERM (Wed Oct 31 2007 - 05:17:21 CST)
- Re: AMBER: problems visualizing mdcrd in VMD Vlad Cojocaru (Wed Oct 31 2007 - 05:33:37 CST)
- AMBER: gibbs problems JAVIER PEREZ (Wed Oct 31 2007 - 05:48:22 CST)
- Re: AMBER: problems visualizing mdcrd in VMD Vlad Cojocaru (Wed Oct 31 2007 - 06:41:42 CST)
- Re: AMBER: problems visualizing mdcrd in VMD Mattia Mori - CERM (Wed Oct 31 2007 - 06:59:24 CST)
- Re: AMBER: antechamber fails with large molecules FyD (Wed Oct 31 2007 - 08:02:36 CST)
- Re: AMBER: &dipole input and some questions on using polarizable force fields David A. Case (Wed Oct 31 2007 - 08:38:34 CST)
- AMBER: amber9 parallel compile problem Christopher Jones (Wed Oct 31 2007 - 11:09:32 CST)
- RE: AMBER: amber9 parallel compile problem Ross Walker (Wed Oct 31 2007 - 11:36:00 CST)
- AMBER: Amber 9: Generating Input files for EVB simulations of the crosslinked structures (Hydrogels) sanket deshmukh (Wed Oct 31 2007 - 12:57:54 CST)
- Re: AMBER: Amber 9: Generating Input files for EVB simulations of the crosslinked structures (Hydrogels) David A. Case (Wed Oct 31 2007 - 15:52:18 CST)
- Re: AMBER: gibbs problems David A. Case (Wed Oct 31 2007 - 22:09:35 CST)
- Re: AMBER: How to get sane package David A. Case (Wed Oct 31 2007 - 22:09:08 CST)
- Re: AMBER: dihedral angles David A. Case (Wed Oct 31 2007 - 22:09:24 CST)
- Re: AMBER: antechamber fails with large molecules Junmei Wang (Wed Oct 31 2007 - 22:43:49 CST)
Last message date: Mon Dec 31 2007 - 15:27:41 CST
Archived on: Thu Jan 10 2008 - 17:13:10 CST
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