Amber Archive Sep 2007 by thread
286 messages
:
Starting
Sun Sep 02 2007 - 06:07:43 PDT,
Ending
Wed Oct 03 2007 - 06:07:04 PDT
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AMBER: Solvent in closest contact with solute
Francesco Pietra
(Sat Sep 01 2007 - 07:15:11 PDT)
AMBER: ntt parameter in vacuum
Age.Skjevik.student.uib.no
(Mon Sep 03 2007 - 06:40:15 PDT)
Re: AMBER: ntt parameter in vacuum
Carlos Simmerling
(Mon Sep 03 2007 - 06:53:16 PDT)
Re: AMBER: ntt parameter in vacuum
David A. Case
(Mon Sep 03 2007 - 08:51:53 PDT)
AMBER: creating topology files for RNA DNA hybrid.molecule
msubhamoy.ibab.ac.in
(Mon Sep 03 2007 - 16:00:25 PDT)
Re: AMBER: creating topology files for RNA DNA hybrid.molecule
saurabh agrawal
(Mon Sep 03 2007 - 21:21:56 PDT)
AMBER: installing LMOD error
Xioling Chuang
(Mon Sep 03 2007 - 22:52:56 PDT)
Re: AMBER: installing LMOD error
David A. Case
(Tue Sep 04 2007 - 08:01:06 PDT)
Re: AMBER: installing LMOD error
Xioling Chuang
(Tue Sep 04 2007 - 19:04:17 PDT)
Re: AMBER: installing LMOD error
David A. Case
(Tue Sep 04 2007 - 22:35:24 PDT)
Re: AMBER: installing LMOD error
Xioling Chuang
(Thu Sep 06 2007 - 20:54:48 PDT)
AMBER:
Catein Catherine
(Mon Sep 03 2007 - 22:56:20 PDT)
AMBER: Running mpirun -np 1 on different processors
Francesco Pietra
(Tue Sep 04 2007 - 06:37:27 PDT)
Re: AMBER: Running mpirun -np 1 on different processors
Adrian Roitberg
(Tue Sep 04 2007 - 06:45:11 PDT)
Re: AMBER: Running mpirun -np 1 on different processors
Carlos Simmerling
(Tue Sep 04 2007 - 06:47:27 PDT)
Re: AMBER: Running mpirun -np 1 on different processors
Francesco Pietra
(Tue Sep 04 2007 - 07:39:40 PDT)
AMBER: decomposition energy
Pankaj R. Daga
(Tue Sep 04 2007 - 07:31:25 PDT)
AMBER: PMF calculation - minimum conformer
Catein Catherine
(Wed Sep 05 2007 - 03:48:04 PDT)
RE: AMBER: decomposition energy
Catein Catherine
(Wed Sep 05 2007 - 03:42:42 PDT)
AMBER: Problem compiling AMBER 9 on ppc64
Eric Shamay
(Tue Sep 04 2007 - 09:14:07 PDT)
Re: AMBER: Problem compiling AMBER 9 on ppc64
David A. Case
(Tue Sep 04 2007 - 13:56:06 PDT)
Re: AMBER: Using ntr=1 in xleap
Lili Peng
(Tue Sep 04 2007 - 15:23:59 PDT)
AMBER: Problem with modelling ammonium ion?
David Cerutti
(Tue Sep 04 2007 - 18:26:22 PDT)
Re: AMBER: Problem with modelling ammonium ion?
David Cerutti
(Tue Sep 04 2007 - 22:22:50 PDT)
Re: AMBER: refinement of NMR struture using AMBER
andy ng
(Wed Sep 05 2007 - 02:59:00 PDT)
Re: AMBER: refinement of NMR struture using AMBER
Prem Prakash Pathak
(Wed Sep 05 2007 - 07:01:41 PDT)
Re: AMBER: refinement of NMR struture using AMBER
Seth Lilavivat
(Thu Sep 06 2007 - 12:20:52 PDT)
Re: AMBER: refinement of NMR struture using AMBER
andy ng
(Fri Sep 07 2007 - 06:42:44 PDT)
AMBER: for makeDIST_RST
Wenyong Tong
(Wed Sep 12 2007 - 14:30:29 PDT)
Re: AMBER: for makeDIST_RST
David A. Case
(Fri Sep 14 2007 - 08:10:28 PDT)
Re: AMBER: for makeDIST_RST
Wenyong Tong
(Fri Sep 14 2007 - 13:19:13 PDT)
Re: AMBER: for makeDIST_RST
Wenyong Tong
(Fri Sep 14 2007 - 15:15:56 PDT)
AMBER: Comparing explicit solvent/vacuum qmmm
Francesco Pietra
(Wed Sep 05 2007 - 00:31:32 PDT)
AMBER: Fwd: Comparing explicit solvent/vacuum qmmm
Francesco Pietra
(Wed Sep 05 2007 - 04:05:07 PDT)
AMBER: amber md movie using Chimera
Wang, Xuelin
(Wed Sep 05 2007 - 10:42:08 PDT)
Re: AMBER: amber md movie using Chimera
Mingfeng Yang
(Wed Sep 05 2007 - 11:04:57 PDT)
Re: AMBER: amber md movie using Chimera
David A. Case
(Wed Sep 05 2007 - 11:12:27 PDT)
RE: AMBER: amber md movie using Chimera. .
Wang, Xuelin
(Wed Sep 05 2007 - 11:42:02 PDT)
Re: AMBER: amber md movie using Chimera
Bill Ross
(Wed Sep 05 2007 - 14:38:32 PDT)
AMBER: chiral surfaces
Hector A. Baldoni
(Wed Sep 05 2007 - 16:35:42 PDT)
Re: AMBER: chiral surfaces
Carlos Simmerling
(Wed Sep 05 2007 - 17:21:51 PDT)
AMBER: DelPhi
Urszula Uciechowska
(Thu Sep 06 2007 - 06:21:19 PDT)
AMBER: RE: Tutorial5 -- sustiva and xleap
Ross Walker
(Thu Sep 06 2007 - 06:20:08 PDT)
AMBER: electron density difference
Ozlem Demir
(Thu Sep 06 2007 - 06:36:29 PDT)
RE: AMBER: Dihedrals in Sander
Steve Spronk
(Thu Sep 06 2007 - 12:37:24 PDT)
Re: AMBER: Prepin error (?) in xleap
Lili Peng
(Thu Sep 06 2007 - 15:32:48 PDT)
Re: AMBER: Prepin error (?) in xleap
David A. Case
(Thu Sep 06 2007 - 21:38:27 PDT)
Re: AMBER: Prepin error (?) in xleap
Junmei Wang
(Thu Sep 06 2007 - 21:44:50 PDT)
Re: AMBER: Prepin error (?) in xleap
Eduardo Mendez
(Thu Sep 06 2007 - 22:56:00 PDT)
Re: AMBER: Prepin error (?) in xleap
Lili Peng
(Fri Sep 07 2007 - 14:22:42 PDT)
Re: AMBER: Prepin error (?) in xleap
Lili Peng
(Fri Sep 07 2007 - 14:54:23 PDT)
Re: AMBER: Prepin error (?) in xleap
Ilyas Yildirim
(Fri Sep 07 2007 - 15:21:55 PDT)
Re: AMBER: Prepin error (?) in xleap
Lili Peng
(Fri Sep 07 2007 - 16:33:24 PDT)
Re: AMBER: Prepin error (?) in xleap
Ilyas Yildirim
(Fri Sep 07 2007 - 17:39:04 PDT)
Re: AMBER: Prepin error (?) in xleap
Lili Peng
(Sat Sep 08 2007 - 14:54:15 PDT)
AMBER: Harmonic constraints
Johan Qvist
(Fri Sep 07 2007 - 07:43:57 PDT)
Re: AMBER: Harmonic constraints
Carlos Simmerling
(Fri Sep 07 2007 - 08:31:46 PDT)
Re: AMBER: Harmonic constraints
Ilyas Yildirim
(Fri Sep 07 2007 - 10:13:55 PDT)
Re: AMBER: Harmonic constraints
Carlos Simmerling
(Fri Sep 07 2007 - 10:22:08 PDT)
Re: AMBER: Harmonic constraints
Thomas Cheatham
(Fri Sep 07 2007 - 11:52:48 PDT)
Re: AMBER: Harmonic constraints
Carlos Simmerling
(Fri Sep 07 2007 - 12:06:35 PDT)
Re: AMBER: Harmonic constraints
Jiri Sponer
(Fri Sep 07 2007 - 23:07:23 PDT)
Re: AMBER: Harmonic constraints
Carlos Simmerling
(Mon Sep 10 2007 - 07:14:54 PDT)
AMBER: for NMR restrains files
Wenyong Tong
(Fri Sep 07 2007 - 10:26:09 PDT)
Re: AMBER: for NMR restrains files
Prem Prakash Pathak
(Fri Sep 07 2007 - 21:36:11 PDT)
RE: AMBER: Harmonic constraints
Hu, Shaowen (JSC-SK)[USRA]
(Mon Sep 10 2007 - 07:05:18 PDT)
Re: AMBER: Harmonic constraints
Carlos Simmerling
(Mon Sep 10 2007 - 07:14:27 PDT)
AMBER: System extending beyond of (non existent) virtual box
Francesco Pietra
(Fri Sep 07 2007 - 10:17:36 PDT)
AMBER: Fwd: System extending beyond of (non existent) virtual box
Francesco Pietra
(Sat Sep 08 2007 - 01:33:34 PDT)
AMBER: solvent box pyridine
Francesco Pietra
(Sat Sep 08 2007 - 07:46:37 PDT)
AMBER: rms and rms nofit
Alana Canfield
(Sat Sep 08 2007 - 14:23:39 PDT)
AMBER: Targeted MD
Beale, John
(Sat Sep 08 2007 - 15:29:08 PDT)
Re: AMBER: Targeted MD
Adrian Roitberg
(Sat Sep 08 2007 - 15:35:22 PDT)
AMBER: Explicit water in implicit enviornment?
Hayden Eastwood
(Sun Sep 09 2007 - 12:57:26 PDT)
Re: AMBER: Explicit water in implicit enviornment?
Carlos Simmerling
(Mon Sep 17 2007 - 08:35:58 PDT)
Re: AMBER: Missplaced TERs
David A. Case
(Mon Sep 10 2007 - 15:46:57 PDT)
AMBER: RE: Asking for help
Ross Walker
(Mon Sep 10 2007 - 16:31:24 PDT)
AMBER: AMBER parametrization (??) for OAA and Mg++
Eduardo Mendez
(Mon Sep 10 2007 - 21:39:43 PDT)
Re:AMBER: AMBER parametrization (??) for OAA and Mg++
Qiang Zhong
(Tue Sep 11 2007 - 00:32:17 PDT)
Re: AMBER: AMBER parametrization (??) for OAA and Mg++
FyD
(Tue Sep 11 2007 - 00:28:46 PDT)
AMBER: heme forcefield atom types
john chen
(Tue Sep 11 2007 - 07:09:45 PDT)
Re: AMBER: heme forcefield atom types
Vlad Cojocaru
(Tue Sep 11 2007 - 08:05:46 PDT)
AMBER: heme force-field (2)
john chen
(Tue Sep 11 2007 - 08:08:05 PDT)
Re: AMBER: heme force-field (2)
Vlad Cojocaru
(Tue Sep 11 2007 - 08:43:53 PDT)
AMBER: Tutorial protein-small-molecule-associates
Francesco Pietra
(Tue Sep 11 2007 - 09:26:01 PDT)
Re: AMBER: Tutorial protein-small-molecule-associates
Scott Brozell
(Fri Sep 14 2007 - 08:50:09 PDT)
AMBER: PBradii
Steve Seibold
(Tue Sep 11 2007 - 11:40:00 PDT)
Re: AMBER: PBradii
Carlos Simmerling
(Tue Sep 11 2007 - 12:06:32 PDT)
RE: AMBER: PBradii
Steve Seibold
(Tue Sep 11 2007 - 12:21:21 PDT)
AMBER: TIP5P questions
Prashanth Athri
(Tue Sep 11 2007 - 14:26:56 PDT)
Re: AMBER: TIP5P questions
Thomas Cheatham III
(Thu Sep 13 2007 - 12:14:25 PDT)
Re: AMBER: TIP5P questions
David A. Case
(Thu Sep 13 2007 - 17:17:12 PDT)
AMBER: Problems with Carbohydrate Non-standard Residue
Moruz Luminita
(Wed Sep 12 2007 - 03:30:09 PDT)
Re: AMBER: Problems with Carbohydrate Non-standard Residue
David A. Case
(Wed Sep 12 2007 - 07:47:48 PDT)
AMBER: Complexe Energy Analysis
saccenti.cerm.unifi.it
(Wed Sep 12 2007 - 08:16:07 PDT)
RE: AMBER: Problems with Carbohydrate Non-standard Residue
Irene Newhouse
(Wed Sep 12 2007 - 09:58:17 PDT)
AMBER: LINMIN Failure vs Parallelization
Sandeep Kaushik
(Thu Sep 13 2007 - 00:04:19 PDT)
Re: AMBER: LINMIN Failure vs Parallelization
linfu
(Thu Sep 13 2007 - 03:24:10 PDT)
Re: AMBER: LINMIN Failure vs Parallelization
Gustavo Seabra
(Thu Sep 13 2007 - 06:26:45 PDT)
AMBER: Too big EEL energy in energy minimization
Wang, Xuelin
(Thu Sep 13 2007 - 07:34:27 PDT)
RE: AMBER: Too big EEL energy in energy minimization
Ross Walker
(Thu Sep 13 2007 - 07:52:11 PDT)
RE: AMBER: Too big EEL energy in energy minimization. .
Wang, Xuelin
(Thu Sep 13 2007 - 09:00:17 PDT)
RE: AMBER: Too big EEL energy in energy minimization. .
Ross Walker
(Thu Sep 13 2007 - 09:25:07 PDT)
AMBER: Problem with Sander
anna duraj
(Thu Sep 13 2007 - 15:42:29 PDT)
Re: AMBER: Problem with Sander
Carlos Simmerling
(Thu Sep 13 2007 - 16:38:06 PDT)
AMBER: FF02: sander problem with irstdip=1
Anselm Horn
(Fri Sep 14 2007 - 03:31:19 PDT)
Re: AMBER: FF02: sander problem with irstdip=1
David A. Case
(Fri Sep 14 2007 - 07:59:26 PDT)
RE: AMBER: FF02: sander problem with irstdip=1
Yong Duan
(Fri Sep 14 2007 - 14:30:17 PDT)
AMBER: parallel implementation of Amber 9
Beale, John
(Fri Sep 14 2007 - 05:40:03 PDT)
Re: AMBER: parallel implementation of Amber 9
David A. Case
(Fri Sep 14 2007 - 08:04:16 PDT)
AMBER: DNA base planarity restraint
Hu, Shaowen (JSC-SK)[USRA]
(Fri Sep 14 2007 - 08:29:46 PDT)
Re: AMBER: DNA base planarity restraint
Carlos Simmerling
(Fri Sep 14 2007 - 09:00:22 PDT)
RE: AMBER: DNA base planarity restraint
Hu, Shaowen (JSC-SK)[USRA]
(Fri Sep 14 2007 - 11:29:13 PDT)
Re: AMBER: DNA base planarity restraint
Carlos Simmerling
(Fri Sep 14 2007 - 12:43:03 PDT)
AMBER: calcium ion force-fields
john chen
(Fri Sep 14 2007 - 08:35:29 PDT)
AMBER: xleap question
Anna Díaz Cirac
(Fri Sep 14 2007 - 09:26:33 PDT)
Re: AMBER: xleap question
Carlos Simmerling
(Fri Sep 14 2007 - 09:32:20 PDT)
AMBER: Torsion terms in xleap
Lili Peng
(Fri Sep 14 2007 - 15:35:23 PDT)
Re: AMBER: Torsion terms in xleap
Carlos Simmerling
(Fri Sep 14 2007 - 15:42:52 PDT)
Re: AMBER: Torsion terms in xleap
Wenyong Tong
(Fri Sep 14 2007 - 16:00:20 PDT)
Re: AMBER: Torsion terms in xleap
Davide Moiani
(Fri Sep 14 2007 - 16:55:37 PDT)
Re: AMBER: Torsion terms in xleap
David A. Case
(Fri Sep 14 2007 - 17:44:17 PDT)
Re: AMBER: Torsion terms in xleap
Lili Peng
(Mon Sep 17 2007 - 16:42:12 PDT)
Re: AMBER: Torsion terms in xleap
David A. Case
(Mon Sep 17 2007 - 19:35:24 PDT)
Re: AMBER: Torsion terms in xleap
Lili Peng
(Wed Sep 19 2007 - 11:41:14 PDT)
AMBER: AMBER sander
Eduardo Mendez
(Fri Sep 14 2007 - 16:42:38 PDT)
Re: AMBER: AMBER sander
David A. Case
(Fri Sep 14 2007 - 17:50:47 PDT)
AMBER: Can I set harmonic constraints in SMD simulations ?
James W
(Fri Sep 14 2007 - 19:50:35 PDT)
Re: AMBER: Can I set harmonic constraints in SMD simulations ?
David A. Case
(Sat Sep 15 2007 - 09:59:33 PDT)
AMBER: Problem encountered during thermodynamic integration
ming hui
(Sat Sep 15 2007 - 01:18:59 PDT)
Re: AMBER: Problem encountered during thermodynamic integration
David A. Case
(Sat Sep 15 2007 - 10:02:39 PDT)
Re: AMBER: Problem encountered during thermodynamic integration
ming hui
(Wed Sep 19 2007 - 10:30:14 PDT)
AMBER: Problem with Getting SHAKE to work
David Cerutti
(Sat Sep 15 2007 - 11:04:14 PDT)
Re: AMBER: Problem with Getting SHAKE to work
David Cerutti
(Sat Sep 15 2007 - 20:16:10 PDT)
Re: AMBER: Problem with Getting SHAKE to work
David A. Case
(Sat Sep 15 2007 - 22:05:55 PDT)
Re: AMBER: Problem with Getting SHAKE to work
David Cerutti
(Sun Sep 16 2007 - 09:29:38 PDT)
Re: AMBER: Problem with Getting SHAKE to work
David A. Case
(Mon Sep 17 2007 - 09:38:26 PDT)
Re: AMBER: Problem with Getting SHAKE to work
David Cerutti
(Mon Sep 17 2007 - 13:36:59 PDT)
AMBER: replica exchange simulation
Ji-Lai Li
(Sat Sep 15 2007 - 17:58:06 PDT)
Re: AMBER: replica exchange simulation
Carlos Simmerling
(Mon Sep 17 2007 - 07:04:46 PDT)
AMBER: Solvation net forces
Tyler Luchko
(Mon Sep 17 2007 - 09:23:03 PDT)
Re: AMBER: Solvation net forces
David A. Case
(Tue Sep 18 2007 - 17:14:55 PDT)
Re: AMBER: Solvation net forces
Tyler Luchko
(Tue Sep 25 2007 - 12:21:24 PDT)
Re: AMBER: Solvation net forces
Nicolas Lux Fawzi
(Tue Sep 25 2007 - 14:24:05 PDT)
AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2-
Eduardo Mendez
(Mon Sep 17 2007 - 19:32:22 PDT)
Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2-
Eduardo Mendez
(Mon Sep 17 2007 - 20:16:02 PDT)
Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2-
Ilyas Yildirim
(Mon Sep 17 2007 - 21:38:58 PDT)
Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2-
Jiri Sponer
(Tue Sep 18 2007 - 01:11:19 PDT)
Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2-
Eduardo Mendez
(Tue Sep 18 2007 - 16:41:33 PDT)
Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2-
FyD
(Tue Sep 18 2007 - 00:06:51 PDT)
AMBER: Potential of mean force: how to extract the min structure?
Catein Catherine
(Tue Sep 18 2007 - 00:39:12 PDT)
Re: AMBER: Potential of mean force: how to extract the min structure?
Jerome.GOLEBIOWSKI.unice.fr
(Tue Sep 18 2007 - 01:09:29 PDT)
AMBER: GBSA or PBSA: GPB or GGB are +ve or -ve?
Catein Catherine
(Tue Sep 18 2007 - 00:46:06 PDT)
Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2-
Eduardo Mendez
(Tue Sep 18 2007 - 16:52:18 PDT)
Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2-
FyD
(Tue Sep 18 2007 - 22:57:29 PDT)
Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2-
Francesco Pietra
(Tue Sep 18 2007 - 23:52:48 PDT)
Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2-
FyD
(Wed Sep 19 2007 - 00:50:14 PDT)
Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2-
Eduardo Mendez
(Wed Sep 19 2007 - 04:33:48 PDT)
Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2-
FyD
(Thu Sep 20 2007 - 01:37:30 PDT)
Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2-
Eduardo Mendez
(Thu Sep 20 2007 - 03:38:08 PDT)
Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2-
FyD
(Thu Sep 20 2007 - 04:54:23 PDT)
Re: AMBER: CONFIGURATION FILE FOR OXALATE C2O4^2-
FyD
(Thu Sep 20 2007 - 05:14:29 PDT)
AMBER: A question related with periodic boundary condition
Jun Liu
(Tue Sep 18 2007 - 18:48:22 PDT)
Re: AMBER: A question related with periodic boundary condition
Jun Liu
(Wed Sep 19 2007 - 11:10:54 PDT)
AMBER: How to fix the distance between two atoms.
nag raj
(Tue Sep 18 2007 - 21:36:29 PDT)
AMBER: Targetted MD and ptraj analysis
Ilyas Yildirim
(Tue Sep 18 2007 - 22:47:19 PDT)
RE: AMBER: Targetted MD and ptraj analysis
Catein Catherine
(Thu Sep 20 2007 - 19:11:30 PDT)
Re: AMBER: Targetted MD and ptraj analysis
Carlos Simmerling
(Fri Sep 21 2007 - 05:12:50 PDT)
Re: AMBER: Targetted MD and ptraj analysis
Ilyas Yildirim
(Fri Sep 21 2007 - 12:40:36 PDT)
AMBER: problem with Thermodynamic Integration
Martin Stennett
(Wed Sep 19 2007 - 04:46:30 PDT)
Re: AMBER: problem with Thermodynamic Integration
Ilyas Yildirim
(Wed Sep 19 2007 - 09:45:47 PDT)
AMBER: problem compiling amber9 on IBM 64 bit machine with xlf90_suse compiler
Hayden Eastwood
(Wed Sep 19 2007 - 07:24:34 PDT)
Re: AMBER: problem compiling amber9 on IBM 64 bit machine with xlf90_suse compiler
Martin Klefas-Stennett
(Wed Sep 19 2007 - 09:30:50 PDT)
RE: AMBER: problem compiling amber9 on IBM 64 bit machine with xlf90_suse compiler
Hayden Eastwood
(Wed Sep 19 2007 - 10:25:21 PDT)
Re: AMBER: problem compiling amber9 on IBM 64 bit machine with xlf90_suse compiler
Martin Klefas-Stennett
(Wed Sep 19 2007 - 11:16:49 PDT)
AMBER: A question related with periodic boundary condition
Jun Liu
(Wed Sep 19 2007 - 11:42:25 PDT)
AMBER: RE: AMBER9 Installation Help
Ross Walker
(Thu Sep 20 2007 - 07:48:12 PDT)
AMBER: Problems loading parameter file in tleap
Eduardo Mendez
(Fri Sep 21 2007 - 03:58:48 PDT)
Re: AMBER: Problems loading parameter file in tleap
Eddie Men
(Fri Sep 21 2007 - 04:27:35 PDT)
Re: AMBER: Problems loading parameter file in tleap
FyD
(Fri Sep 21 2007 - 04:55:39 PDT)
AMBER: MM_PBSA with complex plus Ion
saccenti.cerm.unifi.it
(Fri Sep 21 2007 - 07:26:58 PDT)
Re: AMBER: MM_PBSA with complex plus Ion
Pankaj Daga
(Sun Sep 23 2007 - 08:50:21 PDT)
AMBER:
kanon gemini
(Fri Sep 21 2007 - 08:35:11 PDT)
Re: AMBER:
David A. Case
(Sun Sep 23 2007 - 18:31:19 PDT)
AMBER: about restraining atoms
san_amber roy
(Fri Sep 21 2007 - 21:52:59 PDT)
Re: AMBER: about restraining atoms
Carlos Simmerling
(Sat Sep 22 2007 - 06:32:52 PDT)
AMBER: TMD and "Current RMSD from reference"
Ilyas Yildirim
(Sat Sep 22 2007 - 03:40:05 PDT)
Re: AMBER: TMD and "Current RMSD from reference"
Carlos Simmerling
(Sat Sep 22 2007 - 06:27:45 PDT)
Re: AMBER: TMD and "Current RMSD from reference"
Ilyas Yildirim
(Sat Sep 22 2007 - 13:49:26 PDT)
Re: AMBER: TMD and "Current RMSD from reference"
Carlos Simmerling
(Sat Sep 22 2007 - 15:40:08 PDT)
Re: AMBER: TMD and "Current RMSD from reference"
Ilyas Yildirim
(Sat Sep 22 2007 - 17:54:17 PDT)
Re: AMBER: TMD and "Current RMSD from reference"
Carlos Simmerling
(Sun Sep 23 2007 - 04:32:47 PDT)
Re: AMBER: TMD and "Current RMSD from reference"
Ilyas Yildirim
(Sun Sep 23 2007 - 11:14:48 PDT)
Re: AMBER: TMD and "Current RMSD from reference"
Thomas Cheatham III
(Sun Sep 23 2007 - 11:30:31 PDT)
AMBER: Water Question
Eddie Men
(Sun Sep 23 2007 - 01:09:21 PDT)
AMBER: about MD outputs
saccenti.cerm.unifi.it
(Sun Sep 23 2007 - 04:57:33 PDT)
Re: AMBER: about MD outputs
Carlos Simmerling
(Sun Sep 23 2007 - 05:09:03 PDT)
Re: AMBER: about MD outputs
saccenti.cerm.unifi.it
(Sun Sep 23 2007 - 05:23:15 PDT)
Re: AMBER: about MD outputs
Carlos Simmerling
(Sun Sep 23 2007 - 05:31:06 PDT)
Re: AMBER: about MD outputs
saccenti.cerm.unifi.it
(Sun Sep 23 2007 - 05:34:00 PDT)
AMBER: Pribelm with Minimization & MD
saccenti.cerm.unifi.it
(Sun Sep 23 2007 - 11:27:20 PDT)
RE: AMBER: Pribelm with Minimization & MD
Ross Walker
(Mon Sep 24 2007 - 08:39:23 PDT)
AMBER: Water question
Eddie Men
(Sun Sep 23 2007 - 08:21:48 PDT)
Re: AMBER: Water question
David Cerutti
(Sun Sep 23 2007 - 12:01:24 PDT)
AMBER: MAXPR
san_amber roy
(Sun Sep 23 2007 - 21:18:26 PDT)
RE: AMBER: MAXPR
Ross Walker
(Mon Sep 24 2007 - 08:30:38 PDT)
AMBER: MacOSX installation help
Quantum Mechanics
(Mon Sep 24 2007 - 02:39:46 PDT)
RE: AMBER: MacOSX installation help
Ross Walker
(Mon Sep 24 2007 - 07:26:35 PDT)
AMBER:
Bertrand P. S. Russell
(Mon Sep 24 2007 - 02:40:52 PDT)
AMBER: Statistical uncertainty estimation in Thermodynamic integration calculation..
cgji
(Mon Sep 24 2007 - 06:13:36 PDT)
AMBER: Help WARNING: The unperturbed charge of the unit
saccenti.cerm.unifi.it
(Mon Sep 24 2007 - 06:32:35 PDT)
Re: AMBER: Help WARNING: The unperturbed charge of the unit
Ilyas Yildirim
(Mon Sep 24 2007 - 14:53:40 PDT)
RE: AMBER: Help WARNING: The unperturbed charge of the unit
Steve Spronk
(Tue Sep 25 2007 - 05:08:21 PDT)
RE: AMBER: Help WARNING: The unperturbed charge of the unit
saccenti.cerm.unifi.it
(Tue Sep 25 2007 - 05:23:25 PDT)
RE: AMBER: Help WARNING: The unperturbed charge of the unit
Ilyas Yildirim
(Tue Sep 25 2007 - 11:56:19 PDT)
Re: AMBER: Help WARNING: The unperturbed charge of the unit
saccenti.cerm.unifi.it
(Tue Sep 25 2007 - 01:43:03 PDT)
AMBER: calcium parameters
Mattia Mori - CERM
(Mon Sep 24 2007 - 08:25:20 PDT)
RE: AMBER: calcium parameters
Ross Walker
(Mon Sep 24 2007 - 09:04:08 PDT)
AMBER: RE: 回复： RE: Asking for help about heating
Ross Walker
(Mon Sep 24 2007 - 08:52:41 PDT)
AMBER: effective step period for constant pH simulations
Lillian chong
(Mon Sep 24 2007 - 11:22:50 PDT)
Re: AMBER: effective step period for constant pH simulations
Adrian Roitberg
(Mon Sep 24 2007 - 11:31:05 PDT)
AMBER: problem with ptraj
Terry Lang
(Mon Sep 24 2007 - 15:55:29 PDT)
Re: AMBER: problem with ptraj
Carlos Simmerling
(Mon Sep 24 2007 - 17:45:44 PDT)
AMBER: energy calculation
gurpreet singh
(Mon Sep 24 2007 - 22:54:16 PDT)
AMBER: Copper and Chlorine parameters
Syed Tarique Moin
(Tue Sep 25 2007 - 03:39:16 PDT)
Re: AMBER: energy calculation
David A. Case
(Tue Sep 25 2007 - 07:51:40 PDT)
AMBER: total energy in sander and nmode
mbrut.laas.fr
(Tue Sep 25 2007 - 05:55:48 PDT)
Re: AMBER: total energy in sander and nmode
David A. Case
(Tue Sep 25 2007 - 07:56:49 PDT)
AMBER: atomicfluct
Andres Palencia
(Tue Sep 25 2007 - 10:45:50 PDT)
AMBER: Minimization and MD input files
Su Nwe
(Tue Sep 25 2007 - 11:23:49 PDT)
Re: AMBER: Minimization and MD input files
Carlos Simmerling
(Tue Sep 25 2007 - 11:30:17 PDT)
Re: AMBER: Minimization and MD input files
Su Nwe
(Tue Sep 25 2007 - 11:55:07 PDT)
Re: AMBER: Minimization and MD input files
Su Nwe
(Tue Sep 25 2007 - 12:08:28 PDT)
RE: AMBER: Minimization and MD input files
Ross Walker
(Tue Sep 25 2007 - 12:23:53 PDT)
Re: AMBER: Minimization and MD input files
Su Nwe
(Tue Sep 25 2007 - 14:28:32 PDT)
Re: AMBER: Minimization and MD input files
Carlos Simmerling
(Tue Sep 25 2007 - 15:08:20 PDT)
Re: AMBER: Minimization and MD input files
David A. Case
(Tue Sep 25 2007 - 12:27:37 PDT)
Re: AMBER: Minimization and MD input files
Su Nwe
(Tue Sep 25 2007 - 13:25:19 PDT)
Re: AMBER: Minimization and MD input files
Carlos Simmerling
(Tue Sep 25 2007 - 13:34:14 PDT)
Re: AMBER: Minimization and MD input files
Su Nwe
(Tue Sep 25 2007 - 13:47:19 PDT)
Re: AMBER: Minimization and MD input files
Carlos Simmerling
(Tue Sep 25 2007 - 14:27:49 PDT)
RE: AMBER: Minimization and MD input files
Ross Walker
(Tue Sep 25 2007 - 13:45:11 PDT)
AMBER: Re: using RESP
Ilyas Yildirim
(Tue Sep 25 2007 - 16:04:52 PDT)
Re: AMBER: Re: using RESP
FyD
(Tue Sep 25 2007 - 23:14:58 PDT)
AMBER: regarding energy calculation
gurpreet singh
(Tue Sep 25 2007 - 22:16:41 PDT)
Re: AMBER: regarding energy calculation
Abi Ghanem josephine
(Wed Sep 26 2007 - 02:13:38 PDT)
Fwd: AMBER: Copper and Chlorine parameters
Syed Tarique Moin
(Wed Sep 26 2007 - 00:41:59 PDT)
AMBER: Simulation continuation problem. Cant read restart file!!!!!!
Anthony Cruz
(Wed Sep 26 2007 - 07:55:45 PDT)
Re: AMBER: Simulation continuation problem. Cant read restart file!!!!!!
Carlos Simmerling
(Wed Sep 26 2007 - 08:44:29 PDT)
Re: AMBER: Simulation continuation problem. Cant read restart file!!!!!!
Anthony Cruz
(Wed Sep 26 2007 - 09:03:41 PDT)
RE: AMBER: Simulation continuation problem. Cant read restart file!!!!!!
Ross Walker
(Wed Sep 26 2007 - 08:51:10 PDT)
Re: AMBER: Simulation continuation problem. Cant read restart file!!!!!!
Harianto Tjong
(Wed Sep 26 2007 - 09:23:14 PDT)
AMBER: NMR refinement
Wenyong Tong
(Wed Sep 26 2007 - 14:38:46 PDT)
Re: AMBER: NMR refinement
David A. Case
(Wed Sep 26 2007 - 15:03:01 PDT)
Re: AMBER: NMR refinement
Wenyong Tong
(Fri Sep 28 2007 - 12:29:30 PDT)
AMBER: follow-up
Wenyong Tong
(Fri Sep 28 2007 - 12:55:39 PDT)
Re: AMBER: follow-up
David A. Case
(Fri Sep 28 2007 - 13:11:32 PDT)
Re: AMBER: follow-up
Wenyong Tong
(Fri Sep 28 2007 - 14:26:57 PDT)
AMBER: Solvation Issues
Eddie Men
(Wed Sep 26 2007 - 15:48:21 PDT)
Re: AMBER: Solvation Issues
David A. Case
(Wed Sep 26 2007 - 16:16:58 PDT)
Re: AMBER: Solvation Issues
David Cerutti
(Wed Sep 26 2007 - 16:53:11 PDT)
Re: AMBER: Solvation Issues
Eddie Men
(Fri Sep 28 2007 - 23:31:26 PDT)
Re: AMBER: Solvation Issues
David Cerutti
(Sat Sep 29 2007 - 20:55:43 PDT)
AMBER: solvation issues
Eddie Men
(Wed Sep 26 2007 - 16:19:47 PDT)
Fwd: AMBER: Copper and Chlorine parameters
Syed Tarique Moin
(Wed Sep 26 2007 - 20:21:31 PDT)
AMBER: Reproducing constant pH results !!
Pradipta Bandyopadhyay
(Wed Sep 26 2007 - 22:16:49 PDT)
AMBER: force field question
Eddie Men
(Thu Sep 27 2007 - 00:31:42 PDT)
Re: AMBER: force field question
David A. Case
(Thu Sep 27 2007 - 08:45:38 PDT)
AMBER: needing more detailed knowledge of tautp than the manual
宫维斌
(Thu Sep 27 2007 - 05:13:20 PDT)
Re: AMBER: needing more detailed knowledge of tautp than the manual
David A. Case
(Thu Sep 27 2007 - 08:49:37 PDT)
AMBER: plotdat: Amber Data Plotting Program
S. Ravichandran
(Thu Sep 27 2007 - 07:33:37 PDT)
AMBER: restarting REMD simulations
Austin B. Yongye
(Thu Sep 27 2007 - 07:21:43 PDT)
Re: AMBER: restarting REMD simulations
Carlos Simmerling
(Thu Sep 27 2007 - 09:48:45 PDT)
AMBER: step-by-ste weight changes of dwt -- patch?
Douglas Kojetin
(Thu Sep 27 2007 - 08:35:01 PDT)
Re: AMBER: step-by-ste weight changes of dwt -- patch?
David A. Case
(Thu Sep 27 2007 - 12:04:20 PDT)
回复:Re: AMBER: needing more detailed knowledge of tautp than the manual
宫维斌
(Thu Sep 27 2007 - 19:07:09 PDT)
AMBER: implicit minimization
Dr. Devanathan Raghunathan
(Thu Sep 27 2007 - 19:21:14 PDT)
Re: AMBER: implicit minimization
David A. Case
(Fri Sep 28 2007 - 08:17:16 PDT)
AMBER: the box vectors for a Leap generated truncated octahedron
Vlad Cojocaru
(Fri Sep 28 2007 - 01:48:33 PDT)
AMBER: cyclohexane and decalin on amber
Jones de Andrade
(Sat Sep 29 2007 - 08:26:02 PDT)
Re: AMBER: cyclohexane and decalin on amber
FyD
(Sun Sep 30 2007 - 00:20:29 PDT)
AMBER: fragment parametrization tutorial?
Miguel Ortiz-Lombardía
(Sat Sep 29 2007 - 11:53:05 PDT)
Re: AMBER: fragment parametrization tutorial?
Carlos Simmerling
(Sat Sep 29 2007 - 14:48:30 PDT)
Re: AMBER: fragment parametrization tutorial?
David A. Case
(Sat Sep 29 2007 - 22:04:16 PDT)
Re: AMBER: fragment parametrization tutorial?
FyD
(Sun Sep 30 2007 - 00:12:41 PDT)
Re: AMBER: fragment parametrization tutorial?
Miguel Ortiz-Lombardía
(Sun Sep 30 2007 - 03:37:56 PDT)
Last message date
:
Wed Oct 03 2007 - 06:07:04 PDT
Archived on
: Wed Dec 25 2024 - 05:53:39 PST
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