Amber Archive Sep 2004 by thread
341 messages
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Starting
Thu Sep 02 2004 - 01:15:13 PDT,
Ending
Thu Sep 30 2004 - 21:53:00 PDT
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RE: AMBER: Increase lastrst in the &cntrl namelist
Osman Gani
(Tue Aug 31 2004 - 23:51:32 PDT)
RE: AMBER: Increase lastrst in the &cntrl namelist
Sichun Yang
(Wed Sep 01 2004 - 10:19:18 PDT)
Re: AMBER: Increase lastrst in the &cntrl namelist
Carlos Simmerling
(Wed Sep 01 2004 - 10:54:37 PDT)
Re: AMBER: Increase lastrst in the &cntrl namelist
David A. Case
(Wed Sep 01 2004 - 11:22:07 PDT)
AMBER: question on mm-pbsa
cailliez
(Wed Sep 01 2004 - 02:48:54 PDT)
Re: AMBER: question on mm-pbsa
Holger Gohlke
(Wed Sep 01 2004 - 11:55:50 PDT)
AMBER: [0] MPI Abort by user Aborting program !
tang kwa
(Wed Sep 01 2004 - 05:07:51 PDT)
Re: AMBER: [0] MPI Abort by user Aborting program !
Melinda Layten
(Wed Sep 01 2004 - 08:04:15 PDT)
AMBER: Setting up thermodynamic integration
david.evans.ulsop.ac.uk
(Wed Sep 01 2004 - 07:31:10 PDT)
Re: AMBER: Setting up thermodynamic integration
david.evans.ulsop.ac.uk
(Wed Sep 01 2004 - 10:24:40 PDT)
AMBER: Re. HSG Convention
jwcraft.uh.edu
(Wed Sep 01 2004 - 08:48:41 PDT)
Re: AMBER: Re. HSG Convention
David A. Case
(Wed Sep 01 2004 - 09:01:44 PDT)
Re: AMBER: Pulling versus Distance Restraints
Furse, Kristina Elisabet
(Wed Sep 01 2004 - 10:08:49 PDT)
Re: AMBER: About tree structure of TRP residue
David A. Case
(Wed Sep 01 2004 - 10:48:34 PDT)
AMBER: parameters-DGnp
John
(Wed Sep 01 2004 - 17:25:03 PDT)
AMBER: error in installing amber8
anshul.imtech.res.in
(Thu Sep 02 2004 - 15:37:12 PDT)
Re: AMBER: error in installing amber8
David A. Case
(Thu Sep 02 2004 - 08:31:02 PDT)
Re: AMBER: error in installing amber8
Scott Brozell
(Thu Sep 02 2004 - 08:56:50 PDT)
Re: AMBER: error in installing amber8
anshul.imtech.res.in
(Wed Sep 08 2004 - 14:39:27 PDT)
Re: AMBER: error in installing amber8
David A. Case
(Wed Sep 08 2004 - 09:23:04 PDT)
Re: AMBER: error in installing amber8
Bill Ross
(Wed Sep 08 2004 - 07:49:11 PDT)
AMBER: loading frcmod.mod_phipsi.1
bybaker.itsa.ucsf.edu
(Thu Sep 02 2004 - 14:12:04 PDT)
AMBER: Water Box & MD
bybaker.itsa.ucsf.edu
(Thu Sep 02 2004 - 14:48:00 PDT)
Re: AMBER: loading frcmod.mod_phipsi.1
Bill Ross
(Thu Sep 02 2004 - 15:07:44 PDT)
Re: AMBER: loading frcmod.mod_phipsi.1
bybaker.itsa.ucsf.edu
(Thu Sep 02 2004 - 15:18:07 PDT)
Re: AMBER: Differences in RESP charges for G in RG and DG residues
FyD
(Sat Sep 04 2004 - 03:12:33 PDT)
AMBER: Amber7 tleap problem
Ed Pate
(Sat Sep 04 2004 - 12:03:47 PDT)
Re: AMBER: Amber7 tleap problem
David A. Case
(Sat Sep 04 2004 - 13:11:39 PDT)
AMBER: general questions
Marsita M
(Mon Sep 06 2004 - 08:58:34 PDT)
Re: AMBER: general questions
Stefano.Pieraccini.unimi.it
(Tue Sep 07 2004 - 04:11:01 PDT)
AMBER: Electrostatic potential from the trajectory !
Pradipta Bandyopadhyay
(Tue Sep 07 2004 - 04:40:09 PDT)
RE: AMBER: Electrostatic potential from the trajectory !
Ross Walker
(Wed Sep 08 2004 - 04:32:58 PDT)
AMBER: is it a bug in mmpbsa
Shan, Jufang
(Tue Sep 07 2004 - 07:29:27 PDT)
AMBER: xLeap menus not working properly
Hannes Barsch
(Wed Sep 08 2004 - 01:14:38 PDT)
Re: AMBER: xLeap menus not working properly
Heike.Meiselbach.chemie.uni-erlangen.de
(Wed Sep 08 2004 - 02:19:13 PDT)
AMBER: Amber: BOMB
Helios
(Wed Sep 08 2004 - 05:18:11 PDT)
RE: AMBER: Amber: BOMB
Ross Walker
(Wed Sep 08 2004 - 07:42:53 PDT)
Re: AMBER: Amber: BOMB
David A. Case
(Wed Sep 08 2004 - 07:55:04 PDT)
AMBER: Spike in energy and RMS
Balvinder Singh
(Wed Sep 08 2004 - 15:49:04 PDT)
RE: AMBER: Spike in energy and RMS
Ross Walker
(Wed Sep 08 2004 - 07:37:26 PDT)
Re: AMBER: Spike in energy and RMS
Andreas Svrcek-Seiler
(Thu Sep 09 2004 - 02:37:57 PDT)
AMBER: REST
Yanze Zhang
(Wed Sep 08 2004 - 13:09:31 PDT)
Re: AMBER: REST
Melinda Layten
(Wed Sep 08 2004 - 13:51:30 PDT)
AMBER: Nucgen and PNA?
opitz.che.udel.edu
(Wed Sep 08 2004 - 14:14:42 PDT)
Re: AMBER: Nucgen and PNA?
Rhonda Torres
(Wed Sep 08 2004 - 14:22:30 PDT)
Re: AMBER: Nucgen and PNA?
opitz.che.udel.edu
(Thu Sep 09 2004 - 06:36:25 PDT)
AMBER: Antechamber Failure
Johnson Agbo
(Wed Sep 08 2004 - 14:56:58 PDT)
Re: AMBER: Antechamber Failure
David A. Case
(Wed Sep 08 2004 - 15:48:41 PDT)
AMBER: Amber:how to increase the memory allocation?
Helios
(Wed Sep 08 2004 - 20:35:14 PDT)
Re: AMBER: Amber:how to increase the memory allocation?
David A. Case
(Thu Sep 09 2004 - 08:38:12 PDT)
AMBER: REM make test
Sergio E. Wong
(Thu Sep 09 2004 - 15:50:50 PDT)
Re: AMBER: REM make test
David A. Case
(Thu Sep 09 2004 - 16:40:13 PDT)
Re: AMBER: REM make test
Sergio E. Wong
(Thu Sep 09 2004 - 17:55:49 PDT)
AMBER: GB and langevin dynamics
Sergio E. Wong
(Thu Sep 09 2004 - 22:41:18 PDT)
Re: AMBER: GB and langevin dynamics
David A. Case
(Mon Sep 13 2004 - 12:59:31 PDT)
Re: AMBER: GB and langevin dynamics
Sergio E. Wong
(Wed Sep 15 2004 - 12:38:43 PDT)
Re: AMBER: GB and langevin dynamics
David A. Case
(Wed Sep 15 2004 - 15:01:31 PDT)
AMBER: amber8 performance problem on Itanium II's
Sergio E. Wong
(Thu Sep 16 2004 - 21:18:47 PDT)
Re: AMBER: amber8 performance problem on Itanium II's
Andreas Svrcek-Seiler
(Fri Sep 17 2004 - 01:52:53 PDT)
Re: AMBER: amber8 performance problem on Itanium II's
Sergio E. Wong
(Fri Sep 17 2004 - 11:23:18 PDT)
Re: AMBER: REM make test
Carlos Simmerling
(Fri Sep 10 2004 - 06:35:18 PDT)
AMBER: MAC Based Beowulf Cluster
Peter Gannett
(Thu Sep 09 2004 - 16:17:14 PDT)
AMBER: How many ions?
Volodymyr Zloy
(Fri Sep 10 2004 - 04:23:38 PDT)
AMBER: make install error
Abd Ghani Bin Abd Aziz
(Fri Sep 10 2004 - 04:21:15 PDT)
RE: AMBER: make install error
Ross Walker
(Fri Sep 10 2004 - 15:41:02 PDT)
AMBER: Monte Carlo simulation
tang kwa
(Fri Sep 10 2004 - 05:15:35 PDT)
Re: AMBER: Monte Carlo simulation
David A. Case
(Fri Sep 10 2004 - 14:56:20 PDT)
AMBER: MPICH problem
Abd Ghani Bin Abd Aziz
(Fri Sep 10 2004 - 05:33:45 PDT)
RE: AMBER: MPICH problem
Ross Walker
(Sun Sep 12 2004 - 03:12:05 PDT)
AMBER: Test Calculation of atomic charges (RESP) for RNA bases
Vlad Cojocaru
(Fri Sep 10 2004 - 06:41:26 PDT)
Re: AMBER: Test Calculation of atomic charges (RESP) for RNA bases
FyD
(Fri Sep 10 2004 - 17:35:09 PDT)
AMBER: re:your message to amber...
hj zou
(Fri Sep 10 2004 - 06:46:58 PDT)
AMBER: Amber7 - mm_pbsa/molsurf
Nadine Homeyer
(Fri Sep 10 2004 - 05:25:20 PDT)
Re: AMBER: Amber7 - mm_pbsa/molsurf
Oliver Hucke
(Fri Sep 10 2004 - 11:03:57 PDT)
Re: AMBER: Test Calculation of atomic charges (RESP) for RNA bases
Piotr Cieplak
(Fri Sep 10 2004 - 10:28:25 PDT)
Re: AMBER: Test Calculation of atomic charges (RESP) for RNA bases
Vlad Cojocaru
(Mon Sep 13 2004 - 03:10:48 PDT)
Re: AMBER: Test Calculation of atomic charges (RESP) for RNA bases
FyD
(Mon Sep 13 2004 - 14:59:11 PDT)
AMBER: An question about PTRAJ
b86203054.ntu.edu.tw
(Fri Sep 10 2004 - 18:29:17 PDT)
Re: AMBER: An question about PTRAJ
Stef
(Sat Sep 11 2004 - 01:01:52 PDT)
Re: AMBER: An question about PTRAJ
b86203054.ntu.edu.tw
(Mon Sep 13 2004 - 10:37:00 PDT)
Re: AMBER: An question about PTRAJ
Thomas E. Cheatham, III
(Sat Sep 11 2004 - 12:06:05 PDT)
Re: AMBER: An question about PTRAJ
b86203054.ntu.edu.tw
(Mon Sep 13 2004 - 10:35:51 PDT)
AMBER: make install error
Abd Ghani Bin Abd Aziz
(Sat Sep 11 2004 - 02:56:40 PDT)
RE: AMBER: make install error
Ross Walker
(Sun Sep 12 2004 - 03:15:03 PDT)
RE: AMBER: make install error
Abd Ghani Bin Abd Aziz
(Sun Sep 12 2004 - 04:25:19 PDT)
Re: AMBER: make install error
Robert Duke
(Sun Sep 12 2004 - 04:52:48 PDT)
Re: AMBER: make install error
Abd Ghani Bin Abd Aziz
(Sun Sep 12 2004 - 05:40:42 PDT)
Re: AMBER: make install error
Robert Duke
(Sun Sep 12 2004 - 05:46:30 PDT)
Re: AMBER: make install error
Abd Ghani Bin Abd Aziz
(Sun Sep 12 2004 - 05:53:52 PDT)
Re: AMBER: make install error
Abd Ghani Bin Abd Aziz
(Tue Sep 14 2004 - 08:23:37 PDT)
AMBER: mmpbsa: can not generate coordinates/snapshots
Magne Olufsen
(Mon Sep 13 2004 - 03:37:54 PDT)
AMBER: AMBER7 : update gaff and parm99 force field
Guillaume Bollot
(Mon Sep 13 2004 - 06:35:01 PDT)
Re: AMBER: AMBER7 : update gaff and parm99 force field
David A. Case
(Mon Sep 13 2004 - 12:59:12 PDT)
AMBER: Compilation Problem in Amber 7
Stephen P. Molnar, Ph.D.
(Mon Sep 13 2004 - 08:54:27 PDT)
RE: AMBER: Compilation Problem in Amber 7
Ross Walker
(Mon Sep 13 2004 - 21:05:35 PDT)
AMBER: AMBER7 : Hybrid macromolecule
Guillaume Bollot
(Mon Sep 13 2004 - 08:54:28 PDT)
Re: AMBER: AMBER7 : Hybrid macromolecule
david.evans.ulsop.ac.uk
(Mon Sep 13 2004 - 09:30:43 PDT)
AMBER: target rmsd
William Andrew McLaughlin
(Mon Sep 13 2004 - 13:35:51 PDT)
Re: AMBER: target rmsd
Carlos Simmerling
(Mon Sep 13 2004 - 13:49:30 PDT)
Re: AMBER: target rmsd
Viktor Hornak
(Mon Sep 13 2004 - 13:57:07 PDT)
Re: AMBER: target rmsd
William Andrew McLaughlin
(Mon Sep 13 2004 - 14:40:24 PDT)
Re: AMBER: target rmsd
Viktor Hornak
(Mon Sep 13 2004 - 15:15:56 PDT)
AMBER: bond between two polypeptides
Jagdish Rai
(Tue Sep 14 2004 - 01:19:48 PDT)
Re: AMBER: bond between two polypeptides
David A. Case
(Tue Sep 14 2004 - 09:20:23 PDT)
AMBER: mm_pbsa for Delphi
Helios Chen
(Tue Sep 14 2004 - 02:28:28 PDT)
AMBER: Re: to Francois
Vlad Cojocaru
(Tue Sep 14 2004 - 04:35:13 PDT)
Re: AMBER: R.E.D. II to Vlad
FyD
(Wed Sep 15 2004 - 09:25:44 PDT)
AMBER: MM binding energy with ANAL
Ben Cossins
(Tue Sep 14 2004 - 05:56:37 PDT)
Re: AMBER: MM binding energy with ANAL
David A. Case
(Tue Sep 14 2004 - 15:32:48 PDT)
AMBER: amber 8
Abd Ghani Bin Abd Aziz
(Tue Sep 14 2004 - 06:17:56 PDT)
RE: AMBER: amber 8
Ross Walker
(Tue Sep 14 2004 - 08:09:31 PDT)
RE: AMBER: amber 8
Abd Ghani Bin Abd Aziz
(Tue Sep 14 2004 - 08:28:47 PDT)
RE: AMBER: amber 8
Ross Walker
(Tue Sep 14 2004 - 08:40:26 PDT)
AMBER: want to generate ammonium ion..where to start?
Grace Li
(Tue Sep 14 2004 - 09:48:20 PDT)
AMBER: TI with sander
Oliver Hucke
(Tue Sep 14 2004 - 11:58:01 PDT)
Re: AMBER: TI with sander
David A. Case
(Tue Sep 14 2004 - 12:20:49 PDT)
AMBER: Restraints in sander.QMMM
Joseph Fernandez
(Tue Sep 14 2004 - 13:54:07 PDT)
Re: AMBER: Restraints in sander.QMMM
David A. Case
(Tue Sep 14 2004 - 15:21:07 PDT)
AMBER: restrain on the distance between two molecules.
Qiang Lu
(Tue Sep 14 2004 - 14:18:00 PDT)
Re: AMBER: restrain on the distance between two molecules.
Nhat-hang Duong
(Tue Sep 14 2004 - 14:34:49 PDT)
AMBER: nmode
Carsten Detering
(Tue Sep 14 2004 - 15:29:49 PDT)
Re: AMBER: nmode
David A. Case
(Tue Sep 14 2004 - 16:13:14 PDT)
AMBER: trajectory
Wen Li
(Thu Sep 23 2004 - 06:35:21 PDT)
AMBER: Intel Fortran Compiler Problem
Stephen P. Molnar, Ph.D.
(Wed Sep 15 2004 - 07:52:55 PDT)
Re: AMBER: Intel Fortran Compiler Problem
Viktor Hornak
(Wed Sep 15 2004 - 07:33:44 PDT)
Re: AMBER: Intel Fortran Compiler Problem
Stephen P. Molnar, Ph.D.
(Wed Sep 15 2004 - 08:13:49 PDT)
Re: AMBER: Intel Fortran Compiler Problem
Robert Duke
(Wed Sep 15 2004 - 07:52:50 PDT)
Re: AMBER: Intel Fortran Compiler Problem
Viktor Hornak
(Wed Sep 15 2004 - 07:52:04 PDT)
Re: AMBER: Intel Fortran Compiler Problem
Stephen P. Molnar, Ph.D.
(Wed Sep 15 2004 - 08:38:11 PDT)
Re: AMBER: Intel Fortran Compiler Problem
Viktor Hornak
(Wed Sep 15 2004 - 08:18:01 PDT)
Re: AMBER: Intel Fortran Compiler Problem
Robert Duke
(Wed Sep 15 2004 - 08:30:11 PDT)
Re: AMBER: Intel Fortran Compiler Problem
Robert Duke
(Wed Sep 15 2004 - 08:38:03 PDT)
Re: AMBER: Intel Fortran Compiler Problem
Stephen P. Molnar, Ph.D.
(Wed Sep 15 2004 - 09:23:30 PDT)
Re: AMBER: Intel Fortran Compiler Problem
David A. Case
(Wed Sep 15 2004 - 09:08:04 PDT)
Re: AMBER: Intel Fortran Compiler Problem
Robert Duke
(Wed Sep 15 2004 - 09:12:46 PDT)
RE: AMBER: Intel Fortran Compiler Problem
Ross Walker
(Thu Sep 16 2004 - 21:00:30 PDT)
AMBER: F90 compiler for linux ppc64
Guanglei Cui
(Wed Sep 15 2004 - 07:42:12 PDT)
Re: AMBER: F90 compiler for linux ppc64
Carlos P. Sosa
(Wed Sep 15 2004 - 08:10:32 PDT)
Re: AMBER: F90 compiler for linux ppc64
Guanglei Cui
(Wed Sep 15 2004 - 08:28:17 PDT)
AMBER: principal axis
Alberto Perez
(Wed Sep 15 2004 - 06:36:37 PDT)
Re: AMBER: principal axis
Thomas E. Cheatham, III
(Wed Sep 15 2004 - 08:41:37 PDT)
AMBER: bond constraints in nmode
richard dimelow
(Wed Sep 15 2004 - 08:15:05 PDT)
Re: AMBER: bond constraints in nmode
David A. Case
(Wed Sep 15 2004 - 09:03:09 PDT)
AMBER: extra points
richard dimelow
(Thu Sep 16 2004 - 09:21:05 PDT)
Re: AMBER: extra points
David A. Case
(Thu Sep 16 2004 - 10:26:09 PDT)
AMBER: md problem
Volodymyr Zloy
(Wed Sep 15 2004 - 09:03:29 PDT)
Re: AMBER: md problem
Furse, Kristina Elisabet
(Wed Sep 15 2004 - 12:53:23 PDT)
RE: AMBER: md problem
Ross Walker
(Thu Sep 16 2004 - 07:43:19 PDT)
RE: AMBER: md problem
Volodymyr Zloy
(Mon Sep 20 2004 - 11:05:25 PDT)
AMBER: A tool for building coordinates of huge macromolecules
Hwankyu Lee
(Wed Sep 15 2004 - 09:28:19 PDT)
Re: AMBER: A tool for building coordinates of huge macromolecules
Joachim Reichelt
(Wed Sep 15 2004 - 09:37:05 PDT)
AMBER: back interpret
Joshua Hicks
(Wed Sep 15 2004 - 14:49:57 PDT)
Re: AMBER: back interpret
Carlos Simmerling
(Wed Sep 15 2004 - 15:08:40 PDT)
Re: AMBER: back interpret
David A. Case
(Wed Sep 15 2004 - 15:23:18 PDT)
AMBER: Sander TI with NTR = 1.
Chunhu Tan
(Wed Sep 15 2004 - 16:33:47 PDT)
Re: AMBER: Sander TI with NTR = 1.
David A. Case
(Thu Sep 16 2004 - 07:56:48 PDT)
AMBER: VDWAALS error during minimisation
anita pachaimuthu
(Thu Sep 16 2004 - 07:42:34 PDT)
RE: AMBER: VDWAALS error during minimisation
Ross Walker
(Thu Sep 16 2004 - 08:20:34 PDT)
AMBER: restraining internal coordinates
Taner E. Dirama
(Thu Sep 16 2004 - 09:53:51 PDT)
Re: AMBER: restraining internal coordinates
Carlos Simmerling
(Thu Sep 16 2004 - 10:04:14 PDT)
AMBER: Force Compiling AMBER8 for an SGI O2
Justin Sanders
(Thu Sep 16 2004 - 11:34:12 PDT)
AMBER: Amber 7 Compiling Problem
Stephen P. Molnar, Ph.D.
(Fri Sep 17 2004 - 08:33:15 PDT)
Re: AMBER: Amber 7 Compiling Problem
David A. Case
(Fri Sep 17 2004 - 09:29:58 PDT)
Re: AMBER: Amber 7 Compiling Problem
Stephen P. Molnar, Ph.D.
(Fri Sep 17 2004 - 10:33:47 PDT)
Re: AMBER: Amber 7 Compiling Problem
David A. Case
(Fri Sep 17 2004 - 10:23:23 PDT)
Re: AMBER: Amber 7 Compiling Problem
Stephen P. Molnar, Ph.D.
(Fri Sep 17 2004 - 11:24:52 PDT)
Re: AMBER: Amber 7 Compiling Problem
Stephen P. Molnar, Ph.D.
(Fri Sep 17 2004 - 11:32:02 PDT)
AMBER: Problem with MacroMolecule to AMBER7
Guillaume Bollot
(Fri Sep 17 2004 - 08:56:22 PDT)
Re: AMBER: Problem with MacroMolecule to AMBER7
Sébastien Osborne
(Fri Sep 17 2004 - 09:04:48 PDT)
AMBER: PMEMD
Greg Kellogg
(Fri Sep 17 2004 - 09:20:00 PDT)
Re: AMBER: PMEMD
Robert Duke
(Fri Sep 17 2004 - 09:56:01 PDT)
AMBER: Moil-view & Amber trajectory
opitz.che.udel.edu
(Fri Sep 17 2004 - 13:41:42 PDT)
Re: AMBER: Moil-view & Amber trajectory
Carlos Simmerling
(Fri Sep 17 2004 - 14:01:37 PDT)
Re: AMBER: Moil-view & Amber trajectory
Thomas E. Cheatham, III
(Fri Sep 17 2004 - 14:23:14 PDT)
Re: AMBER: Moil-view & Amber trajectory
opitz.che.udel.edu
(Mon Sep 20 2004 - 14:59:39 PDT)
Re: AMBER: Moil-view & Amber trajectory
Carlos Simmerling
(Tue Sep 21 2004 - 09:17:59 PDT)
AMBER: mm_pbsa nmode problem
Fang, Jianwen
(Fri Sep 17 2004 - 15:28:47 PDT)
AMBER: Re: Delphi PATH question
hj zou
(Fri Sep 17 2004 - 23:22:08 PDT)
AMBER: about PARALLEL run on SGI.
Ji Changge
(Fri Sep 17 2004 - 23:47:38 PDT)
Re: AMBER: about PARALLEL run on SGI.
David A. Case
(Sun Sep 19 2004 - 17:49:30 PDT)
Re: AMBER: About binding energy
Oliver Hucke
(Sat Sep 18 2004 - 21:53:36 PDT)
AMBER: More details about free energy
Xiao He
(Sun Sep 19 2004 - 01:02:53 PDT)
AMBER: ifort installation
mathew k varghese
(Sun Sep 19 2004 - 01:46:57 PDT)
Re: AMBER: ifort installation
Nhat-hang Duong
(Sun Sep 19 2004 - 12:03:32 PDT)
AMBER: Questions on simulating dendrimer in AMBER.
Hwankyu Lee
(Sun Sep 19 2004 - 20:21:03 PDT)
AMBER: The question about SAS calculation in MM_PBSA
Jack Lei
(Mon Sep 20 2004 - 10:19:29 PDT)
Re: AMBER: The question about SAS calculation in MM_PBSA
David A. Case
(Wed Sep 22 2004 - 11:29:52 PDT)
RE: AMBER: Trajectory file conversion between Amber & Charmm
CK Sim
(Mon Sep 20 2004 - 10:45:09 PDT)
Re: AMBER: Trajectory file conversion between Amber & Charmm
Carlos Simmerling
(Mon Sep 20 2004 - 10:59:41 PDT)
RE: AMBER: Trajectory file conversion between Amber & Charmm
Thomas E. Cheatham, III
(Mon Sep 20 2004 - 11:18:46 PDT)
AMBER: RESP problem...
FyD
(Mon Sep 20 2004 - 12:59:04 PDT)
AMBER: sander8 compile: myrinet and mpigm
Guanglei Cui
(Mon Sep 20 2004 - 13:42:14 PDT)
AMBER: about MM-PBSA
Xiao He
(Mon Sep 20 2004 - 22:40:16 PDT)
RE: AMBER: about MM-PBSA
S. Frank Yan
(Mon Sep 20 2004 - 22:59:02 PDT)
Re: RE: AMBER: about MM-PBSA
Xiao He
(Tue Sep 21 2004 - 00:49:24 PDT)
Re: AMBER: about MM-PBSA
Ray Luo
(Mon Sep 20 2004 - 19:26:52 PDT)
Re: Re: AMBER: about MM-PBSA
Xiao He
(Tue Sep 21 2004 - 20:44:51 PDT)
AMBER: compressed files
Jessica Koplin
(Wed Sep 22 2004 - 09:56:27 PDT)
RE: AMBER: compressed files
Ross Walker
(Wed Sep 22 2004 - 10:20:18 PDT)
AMBER: Ptraj data
Steve Seibold
(Tue Sep 21 2004 - 11:13:49 PDT)
Re: AMBER: Ptraj data
Viktor Hornak
(Tue Sep 21 2004 - 11:43:44 PDT)
Re: AMBER: Ptraj data
Thomas E. Cheatham, III
(Tue Sep 21 2004 - 11:59:58 PDT)
Re: AMBER: Ptraj data
Elijah Gregory
(Tue Sep 21 2004 - 15:04:45 PDT)
AMBER: MAXRING Antechamber problem
Karl N. Kirschner
(Tue Sep 21 2004 - 12:37:44 PDT)
RE: AMBER: MAXRING Antechamber problem
Ross Walker
(Tue Sep 21 2004 - 12:49:51 PDT)
RE: AMBER: MAXRING Antechamber problem
Karl N. Kirschner
(Wed Sep 22 2004 - 13:17:31 PDT)
AMBER: Question about Parallel Compilation
David LeBard
(Tue Sep 21 2004 - 16:12:54 PDT)
Re: AMBER: Question about Parallel Compilation
David A. Case
(Wed Sep 22 2004 - 09:49:02 PDT)
Re: AMBER: Question about Parallel Compilation
David LeBard
(Wed Sep 22 2004 - 19:49:47 PDT)
AMBER: amber8 installation
mathew k varghese
(Wed Sep 22 2004 - 00:07:50 PDT)
Re: AMBER: amber8 installation
Andreas Svrcek-Seiler
(Wed Sep 22 2004 - 04:05:02 PDT)
AMBER: all_nucleic02 and all_nucleic94
Vlad Cojocaru
(Wed Sep 22 2004 - 03:40:10 PDT)
Re: AMBER: all_nucleic02 and all_nucleic94
David A. Case
(Wed Sep 22 2004 - 09:59:01 PDT)
AMBER: Re: Re: Delphi PATH question
hj zou
(Wed Sep 22 2004 - 06:40:23 PDT)
Re: AMBER: Re: Re: Delphi PATH question
Xiao He
(Wed Sep 22 2004 - 08:47:47 PDT)
AMBER: amber8 tests
mathew k varghese
(Wed Sep 22 2004 - 07:30:09 PDT)
Re: AMBER: amber8 tests
David A. Case
(Wed Sep 22 2004 - 11:28:34 PDT)
AMBER: all_nucleic94 versus all_nucleic02
Vlad Cojocaru
(Wed Sep 22 2004 - 08:15:12 PDT)
Re: AMBER: all_nucleic94 versus all_nucleic02
Jiten
(Wed Sep 22 2004 - 08:45:36 PDT)
RE: AMBER: all_nucleic94 versus all_nucleic02
Ross Walker
(Wed Sep 22 2004 - 08:53:49 PDT)
RE: AMBER: all_nucleic94 versus all_nucleic02
Ross Walker
(Wed Sep 22 2004 - 10:11:21 PDT)
AMBER: building parameters with Amber
Amber admin
(Wed Sep 22 2004 - 09:41:38 PDT)
Re: AMBER: building parameters with Amber
Furse, Kristina Elisabet
(Wed Sep 22 2004 - 11:36:41 PDT)
AMBER: mm_pbsa.pl nmode entropy estimating problem
jwfang
(Wed Sep 22 2004 - 12:30:21 PDT)
Re: AMBER: mm_pbsa.pl nmode entropy estimating problem
David A. Case
(Wed Sep 22 2004 - 13:29:04 PDT)
AMBER: RESTARTED DUE TO LINMIN FAILURE ...
ying xiong
(Thu Sep 23 2004 - 01:24:13 PDT)
Re: AMBER: RESTARTED DUE TO LINMIN FAILURE ...
cailliez
(Thu Sep 23 2004 - 01:42:31 PDT)
AMBER:
Jiten
(Thu Sep 23 2004 - 01:44:49 PDT)
RE: AMBER:
Ross Walker
(Thu Sep 23 2004 - 10:36:45 PDT)
AMBER: replica exchange with thermodynamic integration
david.evans.ulsop.ac.uk
(Thu Sep 23 2004 - 04:18:44 PDT)
Re: AMBER: replica exchange with thermodynamic integration
David A. Case
(Fri Sep 24 2004 - 08:44:01 PDT)
AMBER: question about J. Am. Chem. Soc. 2001, 123, 5221 paper
jwfang
(Thu Sep 23 2004 - 08:15:36 PDT)
AMBER: Amber job submission using PBS
Jiten
(Thu Sep 23 2004 - 08:44:39 PDT)
Re: AMBER: Amber job submission using PBS
Guanglei Cui
(Thu Sep 23 2004 - 08:52:01 PDT)
Re: AMBER: Amber job submission using PBS
Jiten
(Thu Sep 23 2004 - 09:11:41 PDT)
Re: AMBER: Amber job submission using PBS
Guanglei Cui
(Thu Sep 23 2004 - 09:20:30 PDT)
Re: AMBER: Amber job submission using PBS
Jiten
(Thu Sep 23 2004 - 09:57:35 PDT)
Re: AMBER: Amber job submission using PBS
Jiten
(Thu Sep 23 2004 - 10:04:36 PDT)
Re: AMBER: Amber job submission using PBS
Guanglei Cui
(Thu Sep 23 2004 - 10:49:35 PDT)
Re: AMBER: Amber job submission using PBS
Thomas E. Cheatham, III
(Thu Sep 23 2004 - 10:59:00 PDT)
Re: AMBER: Amber job submission using PBS
Jiten
(Thu Sep 23 2004 - 21:05:39 PDT)
Re: AMBER: Amber job submission using PBS
Jiten
(Thu Sep 23 2004 - 23:21:27 PDT)
Re: AMBER: Amber job submission using PBS
Jiten
(Thu Sep 23 2004 - 21:09:06 PDT)
RE: AMBER: Amber job submission using PBS
Ross Walker
(Thu Sep 23 2004 - 10:44:04 PDT)
RE: AMBER: Amber job submission using PBS
Bill Ross
(Thu Sep 23 2004 - 12:18:37 PDT)
AMBER: Amber 8 installation error on Xeon 2-CPU
Kei ODAI
(Thu Sep 23 2004 - 16:11:15 PDT)
RE: AMBER: Amber 8 installation error on Xeon 2-CPU
Ross Walker
(Thu Sep 23 2004 - 16:32:49 PDT)
AMBER: ptraj problem
Marsita M
(Thu Sep 23 2004 - 16:53:53 PDT)
Re: AMBER: Amber 8 installation error on Xeon 2-CPU
Bill Ross
(Thu Sep 23 2004 - 17:17:17 PDT)
AMBER: about mm_pbsa parameter
Xiao He
(Thu Sep 23 2004 - 20:56:04 PDT)
Re: AMBER: about mm_pbsa parameter
Oliver Hucke
(Fri Sep 24 2004 - 08:49:22 PDT)
AMBER: nbflag
cailliez
(Thu Sep 23 2004 - 23:44:22 PDT)
Re: AMBER: nbflag
David A. Case
(Fri Sep 24 2004 - 08:15:20 PDT)
Re: AMBER: nbflag
cailliez
(Fri Sep 24 2004 - 08:20:13 PDT)
AMBER: phosphoserine library component
jwcraft.uh.edu
(Fri Sep 24 2004 - 07:01:28 PDT)
Re: AMBER: phosphoserine library component
Jiten
(Fri Sep 24 2004 - 07:25:24 PDT)
Re: AMBER: phosphoserine library component
David A. Case
(Fri Sep 24 2004 - 08:25:10 PDT)
Re: AMBER: phosphoserine library component
FyD
(Fri Sep 24 2004 - 10:10:40 PDT)
AMBER: regular ewald sum in Amber8
Jianwen Jiang
(Fri Sep 24 2004 - 09:15:34 PDT)
Re: AMBER: regular ewald sum in Amber8
David A. Case
(Fri Sep 24 2004 - 12:12:30 PDT)
AMBER: Parameters for Inosine
yuqin cai
(Fri Sep 24 2004 - 11:51:40 PDT)
Re: AMBER: Parameters for Inosine
Jiri Sponer
(Fri Sep 24 2004 - 13:02:59 PDT)
AMBER: Question Amber8 install errer with Windows
Amber admin
(Fri Sep 24 2004 - 12:46:06 PDT)
Re: AMBER: Question Amber8 install errer with Windows
David A. Case
(Fri Sep 24 2004 - 13:41:18 PDT)
AMBER: nmode error
Xiao He
(Fri Sep 24 2004 - 19:17:24 PDT)
Re: AMBER: nmode error
David A. Case
(Sat Sep 25 2004 - 11:44:37 PDT)
AMBER: Analysis mm_pbsa result
Xiao He
(Fri Sep 24 2004 - 19:53:08 PDT)
AMBER: output of mm_pbsa.log
Xiao He
(Sat Sep 25 2004 - 02:30:16 PDT)
AMBER: minimization problem
hj zou
(Sat Sep 25 2004 - 02:30:11 PDT)
Re: AMBER: minimization problem
David A. Case
(Sat Sep 25 2004 - 11:43:49 PDT)
AMBER:
Abd Ghani Bin Abd Aziz
(Sat Sep 25 2004 - 03:16:39 PDT)
AMBER: radius of gyration
Marsita M
(Sat Sep 25 2004 - 19:13:25 PDT)
Re: AMBER: radius of gyration
Sanjeev B.S.
(Sat Sep 25 2004 - 20:28:32 PDT)
Re: AMBER: radius of gyration
Marsita M
(Sat Sep 25 2004 - 23:40:24 PDT)
Re: AMBER: radius of gyration
Sanjeev B.S.
(Sun Sep 26 2004 - 00:04:51 PDT)
Re: AMBER: radius of gyration
Bill Ross
(Sun Sep 26 2004 - 20:41:58 PDT)
Re: AMBER: radius of gyration
Bill Ross
(Sun Sep 26 2004 - 20:49:40 PDT)
AMBER: amber 8 error on installation
Abd Ghani Bin Abd Aziz
(Sun Sep 26 2004 - 05:55:07 PDT)
Re: AMBER: amber 8 error on installation
Carlos Simmerling
(Sun Sep 26 2004 - 06:24:08 PDT)
Re: AMBER: amber 8 error on installation
Abd Ghani Bin Abd Aziz
(Sun Sep 26 2004 - 06:47:04 PDT)
AMBER: dihedral
hj zou
(Sun Sep 26 2004 - 18:08:20 PDT)
Re: AMBER: dihedral
Thomas E. Cheatham, III
(Sun Sep 26 2004 - 19:13:42 PDT)
AMBER: Atom distance
bybaker.itsa.ucsf.edu
(Sun Sep 26 2004 - 23:59:05 PDT)
Re: AMBER: Atom distance
Tomas Linhart
(Mon Sep 27 2004 - 00:12:59 PDT)
Re: AMBER: Atom distance
bybaker.itsa.ucsf.edu
(Mon Sep 27 2004 - 13:39:49 PDT)
Re: AMBER: Atom distance
Thomas E. Cheatham, III
(Mon Sep 27 2004 - 13:48:11 PDT)
AMBER: Principal Component Analysis
Vlad Cojocaru
(Mon Sep 27 2004 - 05:09:50 PDT)
AMBER: unformatted md problem
richard dimelow
(Mon Sep 27 2004 - 06:13:40 PDT)
Re: AMBER: unformatted md problem
David A. Case
(Mon Sep 27 2004 - 08:06:05 PDT)
AMBER: Great help:Analysis mm_pbsa result
Xiao He
(Mon Sep 27 2004 - 07:44:03 PDT)
AMBER: how to visualize modes from PCA
Vlad Cojocaru
(Mon Sep 27 2004 - 09:05:35 PDT)
Re: AMBER: how to visualize modes from PCA
Carlos Simmerling
(Mon Sep 27 2004 - 09:13:10 PDT)
AMBER: Amber-7:Bugfix.47
sachin patil
(Mon Sep 27 2004 - 12:32:21 PDT)
Re: AMBER: Amber-7:Bugfix.47
David A. Case
(Mon Sep 27 2004 - 13:20:20 PDT)
RE: AMBER: Amber-7:Bugfix.47
Ross Walker
(Mon Sep 27 2004 - 13:34:36 PDT)
AMBER: intramolecular energies
Guanglei Cui
(Mon Sep 27 2004 - 14:17:11 PDT)
Re: AMBER: intramolecular energies
David A. Case
(Mon Sep 27 2004 - 16:27:25 PDT)
Re: AMBER: intramolecular energies
Guanglei Cui
(Mon Sep 27 2004 - 18:55:41 PDT)
Re: AMBER: intramolecular energies
David A. Case
(Tue Sep 28 2004 - 08:43:11 PDT)
Re: AMBER: intramolecular energies
Guanglei Cui
(Tue Sep 28 2004 - 09:11:10 PDT)
Re: AMBER: intramolecular energies
David A. Case
(Tue Sep 28 2004 - 10:11:57 PDT)
Re: AMBER: intramolecular energies
Guanglei Cui
(Tue Sep 28 2004 - 10:38:16 PDT)
AMBER: Re: Atom distance
bybaker.itsa.ucsf.edu
(Mon Sep 27 2004 - 18:21:20 PDT)
AMBER: question about delphi and UHBD
xhu1.memphis.edu
(Tue Sep 28 2004 - 09:19:32 PDT)
Re: AMBER: question about delphi and UHBD
Ray Luo
(Tue Sep 28 2004 - 10:58:11 PDT)
Re: AMBER: question about delphi and UHBD
Thomas E. Cheatham, III
(Tue Sep 28 2004 - 12:34:59 PDT)
Re: AMBER: question about delphi and UHBD
xhu1.memphis.edu
(Tue Sep 28 2004 - 13:32:51 PDT)
Re: AMBER: question about delphi and UHBD
Carlos Simmerling
(Tue Sep 28 2004 - 13:46:43 PDT)
Re: AMBER: question about delphi and UHBD
xhu1.memphis.edu
(Tue Sep 28 2004 - 15:06:12 PDT)
Re: AMBER: question about delphi and UHBD
Ray Luo
(Tue Sep 28 2004 - 15:19:59 PDT)
Re: AMBER: question about delphi and UHBD
xhu1.memphis.edu
(Wed Sep 29 2004 - 12:11:47 PDT)
Re: AMBER: question about delphi and UHBD
xhu1.memphis.edu
(Thu Sep 30 2004 - 09:52:01 PDT)
AMBER:
Ahammadunny Pathiaseril
(Tue Sep 28 2004 - 11:05:44 PDT)
Re: AMBER:
Ray Luo
(Tue Sep 28 2004 - 11:30:10 PDT)
AMBER: The convergence of energy minimisation
Binbin Liu
(Tue Sep 28 2004 - 12:10:56 PDT)
AMBER: Amber
bybaker.itsa.ucsf.edu
(Tue Sep 28 2004 - 12:28:32 PDT)
Re: AMBER: Amber
Thomas E. Cheatham, III
(Tue Sep 28 2004 - 12:37:25 PDT)
Re: AMBER: Amber
Tomas Linhart
(Tue Sep 28 2004 - 12:50:28 PDT)
AMBER: Phosphoserine parameters
Venkata S Koppuravuri
(Tue Sep 28 2004 - 13:41:23 PDT)
Re: AMBER: Phosphoserine parameters
Oliver Hucke
(Tue Sep 28 2004 - 16:53:27 PDT)
Re: AMBER: Phosphoserine parameters
Joseph Nachman
(Wed Sep 29 2004 - 08:50:24 PDT)
AMBER: Re: Amber
bybaker.itsa.ucsf.edu
(Tue Sep 28 2004 - 14:35:01 PDT)
AMBER: scaling 1-4 NB interaction for rings
j-shimada.az.jp.nec.com
(Wed Sep 29 2004 - 07:16:38 PDT)
Re: AMBER: scaling 1-4 NB interaction for rings
David A. Case
(Wed Sep 29 2004 - 08:11:02 PDT)
AMBER: (no subject)
Rasha Radwan
(Wed Sep 29 2004 - 07:24:25 PDT)
Re: AMBER: (no subject)
Jiten
(Wed Sep 29 2004 - 08:23:55 PDT)
Re: AMBER: (no subject)
M. L. Dodson
(Wed Sep 29 2004 - 08:39:12 PDT)
Re: AMBER: (no subject)
David A. Case
(Wed Sep 29 2004 - 08:39:43 PDT)
Re: AMBER: (no subject)
Anselm Horn
(Wed Sep 29 2004 - 08:00:43 PDT)
AMBER: impose: Illegal angle internal definition
Madalin Giambasu
(Wed Sep 29 2004 - 09:34:18 PDT)
Re: AMBER: impose: Illegal angle internal definition
David A. Case
(Wed Sep 29 2004 - 12:13:36 PDT)
AMBER: resp error message
Andre Farias de Moura
(Wed Sep 29 2004 - 09:25:07 PDT)
Re: AMBER: resp error message
FyD
(Wed Sep 29 2004 - 12:55:26 PDT)
Re: AMBER: resp error message
Andre Farias de Moura
(Wed Sep 29 2004 - 10:41:05 PDT)
Re: AMBER: resp error message
FyD
(Wed Sep 29 2004 - 13:54:12 PDT)
Re: AMBER: resp error message
Andre Farias de Moura
(Thu Sep 30 2004 - 06:58:38 PDT)
Re: AMBER: resp error message
FyD
(Thu Sep 30 2004 - 09:54:33 PDT)
AMBER: Compiling AMBER8
Justin Sanders
(Thu Sep 30 2004 - 07:54:05 PDT)
Re: AMBER: Compiling AMBER8
David A. Case
(Thu Sep 30 2004 - 08:59:42 PDT)
AMBER: Testing Delphi for mm_pbsa
Scott Pendley
(Thu Sep 30 2004 - 10:20:15 PDT)
AMBER: anal error
Guanglei Cui
(Thu Sep 30 2004 - 13:28:35 PDT)
Last message date
:
Thu Sep 30 2004 - 21:53:00 PDT
Archived on
: Fri Dec 20 2024 - 05:53:24 PST
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