AMBER Archive (2007) - Sep 2007 By Author

Starting: Sat Sep 01 2007 - 09:15:11 CDT
Ending: Sun Sep 30 2007 - 05:37:56 CDT

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

Last message date: Mon Dec 31 2007 - 15:27:41 CST
Archived on: Thu Jan 10 2008 - 17:13:10 CST