Amber Archive Sep 2007: by subject

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

Amber Archive Sep 2007 by subject