Amber Archive Sep 2007: by author

Abi Ghanem josephine
- Re: AMBER: regarding energy calculation (Wed Sep 26 2007 - 02:13:38 PDT)
Adrian Roitberg
- Re: AMBER: effective step period for constant pH simulations (Mon Sep 24 2007 - 11:31:05 PDT)
- Re: AMBER: Targeted MD (Sat Sep 08 2007 - 15:35:22 PDT)
- Re: AMBER: Running mpirun -np 1 on different processors (Tue Sep 04 2007 - 06:45:11 PDT)
Age.Skjevik.student.uib.no
- AMBER: ntt parameter in vacuum (Mon Sep 03 2007 - 06:40:15 PDT)
Alana Canfield
- AMBER: rms and rms nofit (Sat Sep 08 2007 - 14:23:39 PDT)
Andres Palencia
- AMBER: atomicfluct (Tue Sep 25 2007 - 10:45:50 PDT)
andy ng
- Re: AMBER: refinement of NMR struture using AMBER (Fri Sep 07 2007 - 06:42:44 PDT)
- Re: AMBER: refinement of NMR struture using AMBER (Wed Sep 05 2007 - 02:59:00 PDT)
anna duraj
- AMBER: Problem with Sander (Thu Sep 13 2007 - 15:42:29 PDT)
Anna Díaz Cirac
- AMBER: xleap question (Fri Sep 14 2007 - 09:26:33 PDT)
Anselm Horn
- AMBER: FF02: sander problem with irstdip=1 (Fri Sep 14 2007 - 03:31:19 PDT)
Anthony Cruz
- Re: AMBER: Simulation continuation problem. Cant read restart file!!!!!! (Wed Sep 26 2007 - 09:03:41 PDT)
- AMBER: Simulation continuation problem. Cant read restart file!!!!!! (Wed Sep 26 2007 - 07:55:45 PDT)
Austin B. Yongye
- AMBER: restarting REMD simulations (Thu Sep 27 2007 - 07:21:43 PDT)
Beale, John
- AMBER: parallel implementation of Amber 9 (Fri Sep 14 2007 - 05:40:03 PDT)
- AMBER: Targeted MD (Sat Sep 08 2007 - 15:29:08 PDT)
Bertrand P. S. Russell
- AMBER: (Mon Sep 24 2007 - 02:40:52 PDT)
Bill Ross
- Re: AMBER: amber md movie using Chimera (Wed Sep 05 2007 - 14:38:32 PDT)
Carlos Simmerling
- Re: AMBER: fragment parametrization tutorial? (Sat Sep 29 2007 - 14:48:30 PDT)
- Re: AMBER: restarting REMD simulations (Thu Sep 27 2007 - 09:48:45 PDT)
- Re: AMBER: Simulation continuation problem. Cant read restart file!!!!!! (Wed Sep 26 2007 - 08:44:29 PDT)
- Re: AMBER: Minimization and MD input files (Tue Sep 25 2007 - 15:08:20 PDT)
- Re: AMBER: Minimization and MD input files (Tue Sep 25 2007 - 14:27:49 PDT)
- Re: AMBER: Minimization and MD input files (Tue Sep 25 2007 - 13:34:14 PDT)
- Re: AMBER: Minimization and MD input files (Tue Sep 25 2007 - 11:30:17 PDT)
- Re: AMBER: problem with ptraj (Mon Sep 24 2007 - 17:45:44 PDT)
- Re: AMBER: about MD outputs (Sun Sep 23 2007 - 05:31:06 PDT)
- Re: AMBER: about MD outputs (Sun Sep 23 2007 - 05:09:03 PDT)
- Re: AMBER: TMD and "Current RMSD from reference" (Sun Sep 23 2007 - 04:32:47 PDT)
- Re: AMBER: TMD and "Current RMSD from reference" (Sat Sep 22 2007 - 15:40:08 PDT)
- Re: AMBER: about restraining atoms (Sat Sep 22 2007 - 06:32:52 PDT)
- Re: AMBER: TMD and "Current RMSD from reference" (Sat Sep 22 2007 - 06:27:45 PDT)
- Re: AMBER: Targetted MD and ptraj analysis (Fri Sep 21 2007 - 05:12:50 PDT)
- Re: AMBER: Explicit water in implicit enviornment? (Mon Sep 17 2007 - 08:35:58 PDT)
- Re: AMBER: replica exchange simulation (Mon Sep 17 2007 - 07:04:46 PDT)
- Re: AMBER: Torsion terms in xleap (Fri Sep 14 2007 - 15:42:52 PDT)
- Re: AMBER: DNA base planarity restraint (Fri Sep 14 2007 - 12:43:03 PDT)
- Re: AMBER: xleap question (Fri Sep 14 2007 - 09:32:20 PDT)
- Re: AMBER: DNA base planarity restraint (Fri Sep 14 2007 - 09:00:22 PDT)
- Re: AMBER: Problem with Sander (Thu Sep 13 2007 - 16:38:06 PDT)
- Re: AMBER: PBradii (Tue Sep 11 2007 - 12:06:32 PDT)
- Re: AMBER: Harmonic constraints (Mon Sep 10 2007 - 07:14:54 PDT)
- Re: AMBER: Harmonic constraints (Mon Sep 10 2007 - 07:14:27 PDT)
- Re: AMBER: Harmonic constraints (Fri Sep 07 2007 - 12:06:35 PDT)
- Re: AMBER: Harmonic constraints (Fri Sep 07 2007 - 10:22:08 PDT)
- Re: AMBER: Harmonic constraints (Fri Sep 07 2007 - 08:31:46 PDT)
- Re: AMBER: chiral surfaces (Wed Sep 05 2007 - 17:21:51 PDT)
- Re: AMBER: Running mpirun -np 1 on different processors (Tue Sep 04 2007 - 06:47:27 PDT)
- Re: AMBER: ntt parameter in vacuum (Mon Sep 03 2007 - 06:53:16 PDT)
Catein Catherine
- RE: AMBER: Targetted MD and ptraj analysis (Thu Sep 20 2007 - 19:11:30 PDT)
- AMBER: GBSA or PBSA: GPB or GGB are +ve or -ve? (Tue Sep 18 2007 - 00:46:06 PDT)
- AMBER: Potential of mean force: how to extract the min structure? (Tue Sep 18 2007 - 00:39:12 PDT)
- RE: AMBER: decomposition energy (Wed Sep 05 2007 - 03:42:42 PDT)
- AMBER: PMF calculation - minimum conformer (Wed Sep 05 2007 - 03:48:04 PDT)
- AMBER: (Mon Sep 03 2007 - 22:56:20 PDT)
cgji
- AMBER: Statistical uncertainty estimation in Thermodynamic integration calculation.. (Mon Sep 24 2007 - 06:13:36 PDT)
David A. Case
- Re: AMBER: fragment parametrization tutorial? (Sat Sep 29 2007 - 22:04:16 PDT)
- Re: AMBER: follow-up (Fri Sep 28 2007 - 13:11:32 PDT)
- Re: AMBER: implicit minimization (Fri Sep 28 2007 - 08:17:16 PDT)
- Re: AMBER: step-by-ste weight changes of dwt -- patch? (Thu Sep 27 2007 - 12:04:20 PDT)
- Re: AMBER: needing more detailed knowledge of tautp than the manual (Thu Sep 27 2007 - 08:49:37 PDT)
- Re: AMBER: force field question (Thu Sep 27 2007 - 08:45:38 PDT)
- Re: AMBER: Solvation Issues (Wed Sep 26 2007 - 16:16:58 PDT)
- Re: AMBER: NMR refinement (Wed Sep 26 2007 - 15:03:01 PDT)
- Re: AMBER: Minimization and MD input files (Tue Sep 25 2007 - 12:27:37 PDT)
- Re: AMBER: total energy in sander and nmode (Tue Sep 25 2007 - 07:56:49 PDT)
- Re: AMBER: energy calculation (Tue Sep 25 2007 - 07:51:40 PDT)
- Re: AMBER: (Sun Sep 23 2007 - 18:31:19 PDT)
- Re: AMBER: Solvation net forces (Tue Sep 18 2007 - 17:14:55 PDT)
- Re: AMBER: Torsion terms in xleap (Mon Sep 17 2007 - 19:35:24 PDT)
- Re: AMBER: Problem with Getting SHAKE to work (Mon Sep 17 2007 - 09:38:26 PDT)
- Re: AMBER: Problem with Getting SHAKE to work (Sat Sep 15 2007 - 22:05:55 PDT)
- Re: AMBER: Problem encountered during thermodynamic integration (Sat Sep 15 2007 - 10:02:39 PDT)
- Re: AMBER: Can I set harmonic constraints in SMD simulations ? (Sat Sep 15 2007 - 09:59:33 PDT)
- Re: AMBER: AMBER sander (Fri Sep 14 2007 - 17:50:47 PDT)
- Re: AMBER: Torsion terms in xleap (Fri Sep 14 2007 - 17:44:17 PDT)
- Re: AMBER: for makeDIST_RST (Fri Sep 14 2007 - 08:10:28 PDT)
- Re: AMBER: parallel implementation of Amber 9 (Fri Sep 14 2007 - 08:04:16 PDT)
- Re: AMBER: FF02: sander problem with irstdip=1 (Fri Sep 14 2007 - 07:59:26 PDT)
- Re: AMBER: TIP5P questions (Thu Sep 13 2007 - 17:17:12 PDT)
- Re: AMBER: Problems with Carbohydrate Non-standard Residue (Wed Sep 12 2007 - 07:47:48 PDT)
- Re: AMBER: Missplaced TERs (Mon Sep 10 2007 - 15:46:57 PDT)
- Re: AMBER: Prepin error (?) in xleap (Thu Sep 06 2007 - 21:38:27 PDT)
- Re: AMBER: amber md movie using Chimera (Wed Sep 05 2007 - 11:12:27 PDT)
- Re: AMBER: installing LMOD error (Tue Sep 04 2007 - 22:35:24 PDT)
- Re: AMBER: Problem compiling AMBER 9 on ppc64 (Tue Sep 04 2007 - 13:56:06 PDT)
- Re: AMBER: installing LMOD error (Tue Sep 04 2007 - 08:01:06 PDT)
- Re: AMBER: ntt parameter in vacuum (Mon Sep 03 2007 - 08:51:53 PDT)
David Cerutti
- Re: AMBER: Solvation Issues (Sat Sep 29 2007 - 20:55:43 PDT)
- Re: AMBER: Solvation Issues (Wed Sep 26 2007 - 16:53:11 PDT)
- Re: AMBER: Water question (Sun Sep 23 2007 - 12:01:24 PDT)
- Re: AMBER: Problem with Getting SHAKE to work (Mon Sep 17 2007 - 13:36:59 PDT)
- Re: AMBER: Problem with Getting SHAKE to work (Sun Sep 16 2007 - 09:29:38 PDT)
- Re: AMBER: Problem with Getting SHAKE to work (Sat Sep 15 2007 - 20:16:10 PDT)
- AMBER: Problem with Getting SHAKE to work (Sat Sep 15 2007 - 11:04:14 PDT)
- Re: AMBER: Problem with modelling ammonium ion? (Tue Sep 04 2007 - 22:22:50 PDT)
- AMBER: Problem with modelling ammonium ion? (Tue Sep 04 2007 - 18:26:22 PDT)
Davide Moiani
- Re: AMBER: Torsion terms in xleap (Fri Sep 14 2007 - 16:55:37 PDT)
Douglas Kojetin
- AMBER: step-by-ste weight changes of dwt -- patch? (Thu Sep 27 2007 - 08:35:01 PDT)
Dr. Devanathan Raghunathan
- AMBER: implicit minimization (Thu Sep 27 2007 - 19:21:14 PDT)
Eddie Men
- Re: AMBER: Solvation Issues (Fri Sep 28 2007 - 23:31:26 PDT)
- AMBER: force field question (Thu Sep 27 2007 - 00:31:42 PDT)
- AMBER: solvation issues (Wed Sep 26 2007 - 16:19:47 PDT)
- AMBER: Solvation Issues (Wed Sep 26 2007 - 15:48:21 PDT)
- AMBER: Water question (Sun Sep 23 2007 - 08:21:48 PDT)
- AMBER: Water Question (Sun Sep 23 2007 - 01:09:21 PDT)
- Re: AMBER: Problems loading parameter file in tleap (Fri Sep 21 2007 - 04:27:35 PDT)
Eduardo Mendez
- AMBER: Problems loading parameter file in tleap (Fri Sep 21 2007 - 03:58:48 PDT)
- Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2- (Thu Sep 20 2007 - 03:38:08 PDT)
- Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2- (Wed Sep 19 2007 - 04:33:48 PDT)
- Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2- (Tue Sep 18 2007 - 16:52:18 PDT)
- Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2- (Tue Sep 18 2007 - 16:41:33 PDT)
- Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2- (Mon Sep 17 2007 - 20:16:02 PDT)
- AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2- (Mon Sep 17 2007 - 19:32:22 PDT)
- AMBER: AMBER sander (Fri Sep 14 2007 - 16:42:38 PDT)
- AMBER: AMBER parametrization (??) for OAA and Mg++ (Mon Sep 10 2007 - 21:39:43 PDT)
- Re: AMBER: Prepin error (?) in xleap (Thu Sep 06 2007 - 22:56:00 PDT)
Eric Shamay
- AMBER: Problem compiling AMBER 9 on ppc64 (Tue Sep 04 2007 - 09:14:07 PDT)
Francesco Pietra
- Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2- (Tue Sep 18 2007 - 23:52:48 PDT)
- AMBER: Tutorial protein-small-molecule-associates (Tue Sep 11 2007 - 09:26:01 PDT)
- AMBER: solvent box pyridine (Sat Sep 08 2007 - 07:46:37 PDT)
- AMBER: Fwd: System extending beyond of (non existent) virtual box (Sat Sep 08 2007 - 01:33:34 PDT)
- AMBER: System extending beyond of (non existent) virtual box (Fri Sep 07 2007 - 10:17:36 PDT)
- AMBER: Fwd: Comparing explicit solvent/vacuum qmmm (Wed Sep 05 2007 - 04:05:07 PDT)
- AMBER: Comparing explicit solvent/vacuum qmmm (Wed Sep 05 2007 - 00:31:32 PDT)
- Re: AMBER: Running mpirun -np 1 on different processors (Tue Sep 04 2007 - 07:39:40 PDT)
- AMBER: Running mpirun -np 1 on different processors (Tue Sep 04 2007 - 06:37:27 PDT)
- AMBER: Solvent in closest contact with solute (Sat Sep 01 2007 - 07:15:11 PDT)
FyD
- Re: AMBER: cyclohexane and decalin on amber (Sun Sep 30 2007 - 00:20:29 PDT)
- Re: AMBER: fragment parametrization tutorial? (Sun Sep 30 2007 - 00:12:41 PDT)
- Re: AMBER: Re: using RESP (Tue Sep 25 2007 - 23:14:58 PDT)
- Re: AMBER: Problems loading parameter file in tleap (Fri Sep 21 2007 - 04:55:39 PDT)
- Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2- (Thu Sep 20 2007 - 05:14:29 PDT)
- Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2- (Thu Sep 20 2007 - 04:54:23 PDT)
- Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2- (Thu Sep 20 2007 - 01:37:30 PDT)
- Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2- (Wed Sep 19 2007 - 00:50:14 PDT)
- Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2- (Tue Sep 18 2007 - 22:57:29 PDT)
- Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2- (Tue Sep 18 2007 - 00:06:51 PDT)
- Re: AMBER: AMBER parametrization (??) for OAA and Mg++ (Tue Sep 11 2007 - 00:28:46 PDT)
gurpreet singh
- AMBER: regarding energy calculation (Tue Sep 25 2007 - 22:16:41 PDT)
- AMBER: energy calculation (Mon Sep 24 2007 - 22:54:16 PDT)
Gustavo Seabra
- Re: AMBER: LINMIN Failure vs Parallelization (Thu Sep 13 2007 - 06:26:45 PDT)
Harianto Tjong
- Re: AMBER: Simulation continuation problem. Cant read restart file!!!!!! (Wed Sep 26 2007 - 09:23:14 PDT)
Hayden Eastwood
- RE: AMBER: problem compiling amber9 on IBM 64 bit machine with xlf90_suse compiler (Wed Sep 19 2007 - 10:25:21 PDT)
- AMBER: problem compiling amber9 on IBM 64 bit machine with xlf90_suse compiler (Wed Sep 19 2007 - 07:24:34 PDT)
- AMBER: Explicit water in implicit enviornment? (Sun Sep 09 2007 - 12:57:26 PDT)
Hector A. Baldoni
- AMBER: chiral surfaces (Wed Sep 05 2007 - 16:35:42 PDT)
Hu, Shaowen (JSC-SK)[USRA]
- RE: AMBER: DNA base planarity restraint (Fri Sep 14 2007 - 11:29:13 PDT)
- AMBER: DNA base planarity restraint (Fri Sep 14 2007 - 08:29:46 PDT)
- RE: AMBER: Harmonic constraints (Mon Sep 10 2007 - 07:05:18 PDT)
Ilyas Yildirim
- AMBER: Re: using RESP (Tue Sep 25 2007 - 16:04:52 PDT)
- RE: AMBER: Help WARNING: The unperturbed charge of the unit (Tue Sep 25 2007 - 11:56:19 PDT)
- Re: AMBER: Help WARNING: The unperturbed charge of the unit (Mon Sep 24 2007 - 14:53:40 PDT)
- Re: AMBER: TMD and "Current RMSD from reference" (Sun Sep 23 2007 - 11:14:48 PDT)
- Re: AMBER: TMD and "Current RMSD from reference" (Sat Sep 22 2007 - 17:54:17 PDT)
- Re: AMBER: TMD and "Current RMSD from reference" (Sat Sep 22 2007 - 13:49:26 PDT)
- AMBER: TMD and "Current RMSD from reference" (Sat Sep 22 2007 - 03:40:05 PDT)
- Re: AMBER: Targetted MD and ptraj analysis (Fri Sep 21 2007 - 12:40:36 PDT)
- Re: AMBER: problem with Thermodynamic Integration (Wed Sep 19 2007 - 09:45:47 PDT)
- AMBER: Targetted MD and ptraj analysis (Tue Sep 18 2007 - 22:47:19 PDT)
- Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2- (Mon Sep 17 2007 - 21:38:58 PDT)
- Re: AMBER: Prepin error (?) in xleap (Fri Sep 07 2007 - 17:39:04 PDT)
- Re: AMBER: Prepin error (?) in xleap (Fri Sep 07 2007 - 15:21:55 PDT)
- Re: AMBER: Harmonic constraints (Fri Sep 07 2007 - 10:13:55 PDT)
Irene Newhouse
- RE: AMBER: Problems with Carbohydrate Non-standard Residue (Wed Sep 12 2007 - 09:58:17 PDT)
James W
- AMBER: Can I set harmonic constraints in SMD simulations ? (Fri Sep 14 2007 - 19:50:35 PDT)
Jerome.GOLEBIOWSKI.unice.fr
- Re: AMBER: Potential of mean force: how to extract the min structure? (Tue Sep 18 2007 - 01:09:29 PDT)
Ji-Lai Li
- AMBER: replica exchange simulation (Sat Sep 15 2007 - 17:58:06 PDT)
Jiri Sponer
- Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2- (Tue Sep 18 2007 - 01:11:19 PDT)
- Re: AMBER: Harmonic constraints (Fri Sep 07 2007 - 23:07:23 PDT)
Johan Qvist
- AMBER: Harmonic constraints (Fri Sep 07 2007 - 07:43:57 PDT)
john chen
- AMBER: calcium ion force-fields (Fri Sep 14 2007 - 08:35:29 PDT)
- AMBER: heme force-field (2) (Tue Sep 11 2007 - 08:08:05 PDT)
- AMBER: heme forcefield atom types (Tue Sep 11 2007 - 07:09:45 PDT)
Jones de Andrade
- AMBER: cyclohexane and decalin on amber (Sat Sep 29 2007 - 08:26:02 PDT)
Jun Liu
- AMBER: A question related with periodic boundary condition (Wed Sep 19 2007 - 11:42:25 PDT)
- Re: AMBER: A question related with periodic boundary condition (Wed Sep 19 2007 - 11:10:54 PDT)
- AMBER: A question related with periodic boundary condition (Tue Sep 18 2007 - 18:48:22 PDT)
Junmei Wang
- Re: AMBER: Prepin error (?) in xleap (Thu Sep 06 2007 - 21:44:50 PDT)
kanon gemini
- AMBER: (Fri Sep 21 2007 - 08:35:11 PDT)
Lili Peng
- Re: AMBER: Torsion terms in xleap (Wed Sep 19 2007 - 11:41:14 PDT)
- Re: AMBER: Torsion terms in xleap (Mon Sep 17 2007 - 16:42:12 PDT)
- AMBER: Torsion terms in xleap (Fri Sep 14 2007 - 15:35:23 PDT)
- Re: AMBER: Prepin error (?) in xleap (Sat Sep 08 2007 - 14:54:15 PDT)
- Re: AMBER: Prepin error (?) in xleap (Fri Sep 07 2007 - 16:33:24 PDT)
- Re: AMBER: Prepin error (?) in xleap (Fri Sep 07 2007 - 14:54:23 PDT)
- Re: AMBER: Prepin error (?) in xleap (Fri Sep 07 2007 - 14:22:42 PDT)
- Re: AMBER: Prepin error (?) in xleap (Thu Sep 06 2007 - 15:32:48 PDT)
- Re: AMBER: Using ntr=1 in xleap (Tue Sep 04 2007 - 15:23:59 PDT)
Lillian chong
- AMBER: effective step period for constant pH simulations (Mon Sep 24 2007 - 11:22:50 PDT)
linfu
- Re: AMBER: LINMIN Failure vs Parallelization (Thu Sep 13 2007 - 03:24:10 PDT)
Martin Klefas-Stennett
- Re: AMBER: problem compiling amber9 on IBM 64 bit machine with xlf90_suse compiler (Wed Sep 19 2007 - 11:16:49 PDT)
- Re: AMBER: problem compiling amber9 on IBM 64 bit machine with xlf90_suse compiler (Wed Sep 19 2007 - 09:30:50 PDT)
Martin Stennett
- AMBER: problem with Thermodynamic Integration (Wed Sep 19 2007 - 04:46:30 PDT)
Mattia Mori - CERM
- AMBER: calcium parameters (Mon Sep 24 2007 - 08:25:20 PDT)
mbrut.laas.fr
- AMBER: total energy in sander and nmode (Tue Sep 25 2007 - 05:55:48 PDT)
Miguel Ortiz-Lombardía
- Re: AMBER: fragment parametrization tutorial? (Sun Sep 30 2007 - 03:37:56 PDT)
- AMBER: fragment parametrization tutorial? (Sat Sep 29 2007 - 11:53:05 PDT)
ming hui
- Re: AMBER: Problem encountered during thermodynamic integration (Wed Sep 19 2007 - 10:30:14 PDT)
- AMBER: Problem encountered during thermodynamic integration (Sat Sep 15 2007 - 01:18:59 PDT)
Mingfeng Yang
- Re: AMBER: amber md movie using Chimera (Wed Sep 05 2007 - 11:04:57 PDT)
Moruz Luminita
- AMBER: Problems with Carbohydrate Non-standard Residue (Wed Sep 12 2007 - 03:30:09 PDT)
msubhamoy.ibab.ac.in
- AMBER: creating topology files for RNA DNA hybrid.molecule (Mon Sep 03 2007 - 16:00:25 PDT)
nag raj
- AMBER: How to fix the distance between two atoms. (Tue Sep 18 2007 - 21:36:29 PDT)
Nicolas Lux Fawzi
- Re: AMBER: Solvation net forces (Tue Sep 25 2007 - 14:24:05 PDT)
Ozlem Demir
- AMBER: electron density difference (Thu Sep 06 2007 - 06:36:29 PDT)
Pankaj Daga
- Re: AMBER: MM_PBSA with complex plus Ion (Sun Sep 23 2007 - 08:50:21 PDT)
Pankaj R. Daga
- AMBER: decomposition energy (Tue Sep 04 2007 - 07:31:25 PDT)
Pradipta Bandyopadhyay
- AMBER: Reproducing constant pH results !! (Wed Sep 26 2007 - 22:16:49 PDT)
Prashanth Athri
- AMBER: TIP5P questions (Tue Sep 11 2007 - 14:26:56 PDT)
Prem Prakash Pathak
- Re: AMBER: for NMR restrains files (Fri Sep 07 2007 - 21:36:11 PDT)
- Re: AMBER: refinement of NMR struture using AMBER (Wed Sep 05 2007 - 07:01:41 PDT)
Qiang Zhong
- Re:AMBER: AMBER parametrization (??) for OAA and Mg++ (Tue Sep 11 2007 - 00:32:17 PDT)
Quantum Mechanics
- AMBER: MacOSX installation help (Mon Sep 24 2007 - 02:39:46 PDT)
Ross Walker
- RE: AMBER: Simulation continuation problem. Cant read restart file!!!!!! (Wed Sep 26 2007 - 08:51:10 PDT)
- RE: AMBER: Minimization and MD input files (Tue Sep 25 2007 - 13:45:11 PDT)
- RE: AMBER: Minimization and MD input files (Tue Sep 25 2007 - 12:23:53 PDT)
- RE: AMBER: calcium parameters (Mon Sep 24 2007 - 09:04:08 PDT)
- AMBER: RE: 回复： RE: Asking for help about heating (Mon Sep 24 2007 - 08:52:41 PDT)
- RE: AMBER: Pribelm with Minimization & MD (Mon Sep 24 2007 - 08:39:23 PDT)
- RE: AMBER: MAXPR (Mon Sep 24 2007 - 08:30:38 PDT)
- RE: AMBER: MacOSX installation help (Mon Sep 24 2007 - 07:26:35 PDT)
- AMBER: RE: AMBER9 Installation Help (Thu Sep 20 2007 - 07:48:12 PDT)
- RE: AMBER: Too big EEL energy in energy minimization. . (Thu Sep 13 2007 - 09:25:07 PDT)
- RE: AMBER: Too big EEL energy in energy minimization (Thu Sep 13 2007 - 07:52:11 PDT)
- AMBER: RE: Asking for help (Mon Sep 10 2007 - 16:31:24 PDT)
- AMBER: RE: Tutorial5 -- sustiva and xleap (Thu Sep 06 2007 - 06:20:08 PDT)
S. Ravichandran
- AMBER: plotdat: Amber Data Plotting Program (Thu Sep 27 2007 - 07:33:37 PDT)
saccenti.cerm.unifi.it
- RE: AMBER: Help WARNING: The unperturbed charge of the unit (Tue Sep 25 2007 - 05:23:25 PDT)
- Re: AMBER: Help WARNING: The unperturbed charge of the unit (Tue Sep 25 2007 - 01:43:03 PDT)
- AMBER: Help WARNING: The unperturbed charge of the unit (Mon Sep 24 2007 - 06:32:35 PDT)
- AMBER: Pribelm with Minimization & MD (Sun Sep 23 2007 - 11:27:20 PDT)
- Re: AMBER: about MD outputs (Sun Sep 23 2007 - 05:34:00 PDT)
- Re: AMBER: about MD outputs (Sun Sep 23 2007 - 05:23:15 PDT)
- AMBER: about MD outputs (Sun Sep 23 2007 - 04:57:33 PDT)
- AMBER: MM_PBSA with complex plus Ion (Fri Sep 21 2007 - 07:26:58 PDT)
- AMBER: Complexe Energy Analysis (Wed Sep 12 2007 - 08:16:07 PDT)
san_amber roy
- AMBER: MAXPR (Sun Sep 23 2007 - 21:18:26 PDT)
- AMBER: about restraining atoms (Fri Sep 21 2007 - 21:52:59 PDT)
Sandeep Kaushik
- AMBER: LINMIN Failure vs Parallelization (Thu Sep 13 2007 - 00:04:19 PDT)
saurabh agrawal
- Re: AMBER: creating topology files for RNA DNA hybrid.molecule (Mon Sep 03 2007 - 21:21:56 PDT)
Scott Brozell
- Re: AMBER: Tutorial protein-small-molecule-associates (Fri Sep 14 2007 - 08:50:09 PDT)
Seth Lilavivat
- Re: AMBER: refinement of NMR struture using AMBER (Thu Sep 06 2007 - 12:20:52 PDT)
Steve Seibold
- RE: AMBER: PBradii (Tue Sep 11 2007 - 12:21:21 PDT)
- AMBER: PBradii (Tue Sep 11 2007 - 11:40:00 PDT)
Steve Spronk
- RE: AMBER: Help WARNING: The unperturbed charge of the unit (Tue Sep 25 2007 - 05:08:21 PDT)
- RE: AMBER: Dihedrals in Sander (Thu Sep 06 2007 - 12:37:24 PDT)
Su Nwe
- Re: AMBER: Minimization and MD input files (Tue Sep 25 2007 - 14:28:32 PDT)
- Re: AMBER: Minimization and MD input files (Tue Sep 25 2007 - 13:47:19 PDT)
- Re: AMBER: Minimization and MD input files (Tue Sep 25 2007 - 13:25:19 PDT)
- Re: AMBER: Minimization and MD input files (Tue Sep 25 2007 - 12:08:28 PDT)
- Re: AMBER: Minimization and MD input files (Tue Sep 25 2007 - 11:55:07 PDT)
- AMBER: Minimization and MD input files (Tue Sep 25 2007 - 11:23:49 PDT)
Syed Tarique Moin
- Fwd: AMBER: Copper and Chlorine parameters (Wed Sep 26 2007 - 20:21:31 PDT)
- Fwd: AMBER: Copper and Chlorine parameters (Wed Sep 26 2007 - 00:41:59 PDT)
- AMBER: Copper and Chlorine parameters (Tue Sep 25 2007 - 03:39:16 PDT)
Terry Lang
- AMBER: problem with ptraj (Mon Sep 24 2007 - 15:55:29 PDT)
Thomas Cheatham
- Re: AMBER: Harmonic constraints (Fri Sep 07 2007 - 11:52:48 PDT)
Thomas Cheatham III
- Re: AMBER: TMD and "Current RMSD from reference" (Sun Sep 23 2007 - 11:30:31 PDT)
- Re: AMBER: TIP5P questions (Thu Sep 13 2007 - 12:14:25 PDT)
Tyler Luchko
- Re: AMBER: Solvation net forces (Tue Sep 25 2007 - 12:21:24 PDT)
- AMBER: Solvation net forces (Mon Sep 17 2007 - 09:23:03 PDT)
Urszula Uciechowska
- AMBER: DelPhi (Thu Sep 06 2007 - 06:21:19 PDT)
Vlad Cojocaru
- AMBER: the box vectors for a Leap generated truncated octahedron (Fri Sep 28 2007 - 01:48:33 PDT)
- Re: AMBER: heme force-field (2) (Tue Sep 11 2007 - 08:43:53 PDT)
- Re: AMBER: heme forcefield atom types (Tue Sep 11 2007 - 08:05:46 PDT)
Wang, Xuelin
- RE: AMBER: Too big EEL energy in energy minimization. . (Thu Sep 13 2007 - 09:00:17 PDT)
- AMBER: Too big EEL energy in energy minimization (Thu Sep 13 2007 - 07:34:27 PDT)
- RE: AMBER: amber md movie using Chimera. . (Wed Sep 05 2007 - 11:42:02 PDT)
- AMBER: amber md movie using Chimera (Wed Sep 05 2007 - 10:42:08 PDT)
Wenyong Tong
- Re: AMBER: follow-up (Fri Sep 28 2007 - 14:26:57 PDT)
- AMBER: follow-up (Fri Sep 28 2007 - 12:55:39 PDT)
- Re: AMBER: NMR refinement (Fri Sep 28 2007 - 12:29:30 PDT)
- AMBER: NMR refinement (Wed Sep 26 2007 - 14:38:46 PDT)
- Re: AMBER: Torsion terms in xleap (Fri Sep 14 2007 - 16:00:20 PDT)
- Re: AMBER: for makeDIST_RST (Fri Sep 14 2007 - 15:15:56 PDT)
- Re: AMBER: for makeDIST_RST (Fri Sep 14 2007 - 13:19:13 PDT)
- AMBER: for makeDIST_RST (Wed Sep 12 2007 - 14:30:29 PDT)
- AMBER: for NMR restrains files (Fri Sep 07 2007 - 10:26:09 PDT)
Xioling Chuang
- Re: AMBER: installing LMOD error (Thu Sep 06 2007 - 20:54:48 PDT)
- Re: AMBER: installing LMOD error (Tue Sep 04 2007 - 19:04:17 PDT)
- AMBER: installing LMOD error (Mon Sep 03 2007 - 22:52:56 PDT)
Yong Duan
- RE: AMBER: FF02: sander problem with irstdip=1 (Fri Sep 14 2007 - 14:30:17 PDT)
宫维斌
- 回复:Re: AMBER: needing more detailed knowledge of tautp than the manual (Thu Sep 27 2007 - 19:07:09 PDT)
- AMBER: needing more detailed knowledge of tautp than the manual (Thu Sep 27 2007 - 05:13:20 PDT)

Amber Archive Sep 2007 by author