Amber Archive Mar 2004 by thread
356 messages
:
Starting
Mon Mar 01 2004 - 14:53:00 PST,
Ending
Thu Apr 01 2004 - 12:53:00 PST
This period
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AMBER:
Jiten
(Mon Mar 01 2004 - 06:04:17 PST)
Re: AMBER:
ML
(Mon Mar 01 2004 - 06:49:18 PST)
(no subject)
Job Success
(Mon Mar 01 2004 - 06:17:29 PST)
Re: AMBER: sander + vlimit exceed...
David A. Case
(Mon Mar 01 2004 - 06:50:23 PST)
AMBER: GIBBS + vlimit exceeded
Miguel de Federico
(Mon Mar 01 2004 - 09:17:44 PST)
AMBER: ptraj
Carsten Detering
(Mon Mar 01 2004 - 09:23:26 PST)
RE: AMBER: ptraj
Ross Walker
(Mon Mar 01 2004 - 15:25:41 PST)
Re: AMBER: ptraj
Carsten Detering
(Tue Mar 02 2004 - 10:48:35 PST)
Re: AMBER:
Piotr Cieplak
(Mon Mar 01 2004 - 09:38:49 PST)
Re: AMBER:
Jiten
(Mon Mar 01 2004 - 16:14:13 PST)
AMBER: NMODE COMPILATION
Obdulia Rabal
(Mon Mar 15 2004 - 02:58:11 PST)
Re: AMBER: NMODE COMPILATION
Anselm Horn
(Mon Mar 15 2004 - 03:34:50 PST)
AMBER: production input file
Ryan Ye
(Mon Mar 01 2004 - 10:58:48 PST)
Re: AMBER: production input file
darden
(Mon Mar 01 2004 - 14:32:35 PST)
RE: AMBER: Problems with xleap
Ross Walker
(Mon Mar 01 2004 - 15:25:23 PST)
Re: AMBER: Problems with xleap
Rhonda Torres
(Mon Mar 01 2004 - 16:02:23 PST)
Re: AMBER: xleap don't recognize my residue/atom
scopio
(Tue Mar 02 2004 - 00:00:31 PST)
RE: AMBER: xleap don't recognize my residue/atom
Ross Walker
(Tue Mar 02 2004 - 09:44:13 PST)
RE: AMBER: xleap don't recognize my residue/atom
Rhonda Torres
(Tue Mar 02 2004 - 10:11:07 PST)
AMBER: error in minimization
atchara.mercury.hec.utah.edu
(Tue Mar 02 2004 - 09:47:14 PST)
Re: AMBER: error in minimization
David A. Case
(Tue Mar 02 2004 - 11:41:36 PST)
AMBER: A question about RMSD calculation
yonchen
(Tue Mar 02 2004 - 11:05:13 PST)
Re: AMBER: A question about RMSD calculation
David A. Case
(Tue Mar 02 2004 - 11:52:05 PST)
AMBER: How to use tleap convert *.pdb file to *.crd and *.top files
yonchen
(Tue Mar 02 2004 - 11:08:55 PST)
Re: AMBER: How to use tleap convert *.pdb file to *.crd and *.top files
Carsten Detering
(Tue Mar 02 2004 - 11:18:42 PST)
Re: AMBER: How to use tleap convert *.pdb file to *.crd and *.top files
David A. Case
(Tue Mar 02 2004 - 11:53:31 PST)
Re: AMBER: A question about RMSD calculation
Bill Ross
(Tue Mar 02 2004 - 11:53:11 PST)
RE: AMBER: A question about RMSD calculation
Obdulia Rabal
(Thu Mar 11 2004 - 10:09:25 PST)
AMBER: diffusion coefficient with external applied electric field
Ioana Cozmuta
(Tue Mar 02 2004 - 12:36:35 PST)
AMBER: General Questions
Sekwan Oh
(Tue Mar 02 2004 - 16:07:08 PST)
Re: AMBER: General Questions
David A. Case
(Wed Mar 03 2004 - 05:22:14 PST)
AMBER: HIV-RT Nevirapin
Annette Höglund
(Wed Mar 03 2004 - 07:37:40 PST)
AMBER: torsion term
Guanglei Cui
(Wed Mar 03 2004 - 08:48:36 PST)
AMBER: questions about mmpbsa
xhu1.memphis.edu
(Wed Mar 03 2004 - 11:48:12 PST)
Re: AMBER: questions about mmpbsa
Holger Gohlke
(Thu Mar 04 2004 - 23:35:57 PST)
AMBER: pls forget my first question in my last email
xhu1.memphis.edu
(Wed Mar 03 2004 - 12:02:06 PST)
AMBER: compiling xleap on MAC OS X.3
Yunfeng Hu
(Wed Mar 03 2004 - 14:19:57 PST)
Re: AMBER: compiling xleap on MAC OS X.3
Bill Ross
(Wed Mar 03 2004 - 15:16:53 PST)
Re: AMBER: compiling xleap on MAC OS X.3
Bill Ross
(Wed Mar 03 2004 - 14:37:50 PST)
Re: AMBER: compiling xleap on MAC OS X.3
Yunfeng Hu
(Wed Mar 03 2004 - 14:43:53 PST)
AMBER: Use tleap convert *.pdb file to *.top and *.crd file
yonchen
(Wed Mar 03 2004 - 20:01:04 PST)
Re: AMBER: Use tleap convert *.pdb file to *.top and *.crd file
David A. Case
(Thu Mar 04 2004 - 08:47:10 PST)
Re: AMBER: Use tleap convert *.pdb file to *.top and *.crd file
Carsten Detering
(Fri Mar 05 2004 - 10:19:18 PST)
AMBER: Question about RMSD calculation
yonchen
(Wed Mar 03 2004 - 20:25:01 PST)
Re: AMBER: Question about RMSD calculation
Carlos Simmerling
(Wed Mar 03 2004 - 20:43:58 PST)
AMBER: Leap atom removal bug?
david.evans.ulsop.ac.uk
(Thu Mar 04 2004 - 02:30:01 PST)
Re: AMBER: Leap atom removal bug?
david.evans.ulsop.ac.uk
(Thu Mar 04 2004 - 03:30:00 PST)
Re: AMBER: Leap atom removal bug?
Bill Ross
(Thu Mar 04 2004 - 05:06:44 PST)
Re: AMBER: Leap atom removal bug?
David A. Case
(Thu Mar 04 2004 - 08:00:08 PST)
AMBER: Glycam_04.prep
Karl N. Kirschner
(Thu Mar 04 2004 - 08:20:24 PST)
AMBER: Sorry about that...
Karl N. Kirschner
(Thu Mar 04 2004 - 08:22:53 PST)
Re: AMBER: Leap atom removal bug?
Scott Brozell
(Fri Mar 05 2004 - 18:34:16 PST)
Re: AMBER: Use tleap convert *.pdb file to *.top and *.crd file
Bill Ross
(Thu Mar 04 2004 - 05:11:45 PST)
AMBER: conversion of Amber 7 .pdb file to .bgf file
Peter Oelschlaeger
(Thu Mar 04 2004 - 14:31:43 PST)
Re: AMBER: conversion of Amber 7 .pdb file to .bgf file
David A. Case
(Thu Mar 04 2004 - 14:59:21 PST)
Re: AMBER: conversion of Amber 7 .pdb file to .bgf file
Peter Oelschlaeger
(Thu Mar 04 2004 - 18:00:34 PST)
Re: AMBER: conversion of Amber 7 .pdb file to .bgf file
David A. Case
(Fri Mar 05 2004 - 08:16:19 PST)
Re: AMBER: conversion of Amber 7 .pdb file to .bgf file
Peter Oelschlaeger
(Fri Mar 05 2004 - 12:47:59 PST)
AMBER: recovering total force array
Dave S Walker
(Thu Mar 11 2004 - 18:20:57 PST)
Re: AMBER: recovering total force array
David A. Case
(Fri Mar 12 2004 - 09:13:57 PST)
Re: AMBER: recovering total force array
Dave S Walker
(Tue Mar 30 2004 - 17:51:41 PST)
Re: AMBER: recovering total force array
Carlos Simmerling
(Tue Mar 30 2004 - 18:11:28 PST)
Re: AMBER: recovering total force array
Dave S Walker
(Wed Mar 31 2004 - 13:29:13 PST)
Re: AMBER: recovering total force array
Carlos Simmerling
(Wed Mar 31 2004 - 13:39:18 PST)
AMBER: PKA calculation
hj zou
(Thu Mar 04 2004 - 22:34:21 PST)
AMBER: positive binding free energy
hj zou
(Thu Mar 04 2004 - 22:53:18 PST)
Re: AMBER: positive binding free energy
Holger Gohlke
(Fri Mar 05 2004 - 00:30:35 PST)
AMBER: MD at different pH !!
Jiten
(Thu Mar 04 2004 - 22:30:30 PST)
Re: AMBER: MD at different pH !!
David A. Case
(Fri Mar 05 2004 - 08:23:27 PST)
AMBER: Ewald calculation using PME for charged system
Byungchan Kim
(Fri Mar 05 2004 - 10:13:43 PST)
AMBER: Ewald calculation using PME for charged system
Byungchan Kim
(Tue Mar 09 2004 - 13:04:31 PST)
Re: AMBER: Ewald calculation using PME for charged system
David A. Case
(Tue Mar 09 2004 - 14:58:29 PST)
Re: AMBER: Ewald calculation using PME for charged system
Byungchan Kim
(Tue Mar 09 2004 - 15:09:18 PST)
Re: AMBER: Ewald calculation using PME for charged system
Wayne Dawson
(Tue Mar 09 2004 - 19:28:36 PST)
Re: AMBER: Ewald calculation using PME for charged system
David A. Case
(Wed Mar 10 2004 - 00:11:54 PST)
Re: AMBER: MD at different pH !!
Xin Chen
(Fri Mar 05 2004 - 12:04:46 PST)
Re: AMBER: MD at different pH !!
David A. Case
(Fri Mar 05 2004 - 17:43:19 PST)
Re: AMBER: MD at different pH !!
Do Anh Tuan
(Fri Mar 05 2004 - 13:11:25 PST)
Re: AMBER: MD at different pH !!
Bimo Ario Tejo
(Fri Mar 05 2004 - 18:43:36 PST)
Re: AMBER: MD at different pH !!
Do Anh Tuan
(Fri Mar 05 2004 - 20:20:04 PST)
Re: AMBER: MD at different pH !!
Bimo Ario Tejo
(Fri Mar 05 2004 - 20:58:39 PST)
Re: AMBER: MD at different pH !!
Jiten
(Fri Mar 05 2004 - 23:37:27 PST)
Re: AMBER: MD at different pH !!
Bimo Ario Tejo
(Sat Mar 06 2004 - 04:18:15 PST)
AMBER: AMBER7 sander compiled on SGI R10000 fails to complete test suite
james.m.woolven.gsk.com
(Fri Mar 05 2004 - 04:40:31 PST)
Re: AMBER: AMBER7 sander compiled on SGI R10000 fails to complete test suite
David A. Case
(Fri Mar 05 2004 - 10:20:26 PST)
AMBER: Sander problem with different CPU
yuann
(Fri Mar 05 2004 - 04:29:49 PST)
Re: AMBER: Sander problem with different CPU
Carlos Simmerling
(Fri Mar 05 2004 - 05:27:22 PST)
Re: AMBER: Sander problem with different CPU
Robert Duke
(Fri Mar 05 2004 - 05:39:37 PST)
Re: AMBER: Sander problem with different CPU
sychen
(Sat Mar 06 2004 - 17:40:25 PST)
Re: AMBER: Sander problem with different CPU
Carlos Simmerling
(Mon Mar 08 2004 - 06:45:19 PST)
AMBER: Unbinding with different pH
Volodymyr Nechiporuk-Zloy
(Fri Mar 05 2004 - 06:10:23 PST)
AMBER: A Question about RESP
::忠誠::
(Sat Mar 06 2004 - 04:39:22 PST)
Re: AMBER: A Question about RESP
Bimo Ario Tejo
(Sat Mar 06 2004 - 05:31:51 PST)
Re: AMBER: A Question about RESP
Ming-Hsun Ho
(Sat Mar 06 2004 - 05:58:44 PST)
Re: AMBER: A Question about RESP
Jiten
(Sat Mar 06 2004 - 06:42:01 PST)
Re: AMBER: A Question about RESP
Jiten
(Sat Mar 06 2004 - 06:41:15 PST)
Re: AMBER: A Question about RESP
Ming-Hsun Ho
(Sat Mar 06 2004 - 07:28:25 PST)
Re: AMBER: A Question about RESP
Jiten
(Sat Mar 06 2004 - 18:54:52 PST)
RE: AMBER: A Question about RESP
William Wei
(Mon Mar 15 2004 - 07:23:57 PST)
AMBER: understanding SANDER source code
myang
(Sat Mar 20 2004 - 07:33:33 PST)
Re: AMBER: understanding SANDER source code
Scott Brozell
(Sun Mar 21 2004 - 11:47:40 PST)
RE: AMBER: understanding SANDER source code
Yong Duan
(Sun Mar 21 2004 - 18:32:03 PST)
Re: AMBER: understanding SANDER source code
Andreas Svrcek-Seiler
(Mon Mar 22 2004 - 04:15:42 PST)
Re: AMBER: understanding SANDER source code
David E. Konerding
(Mon Mar 22 2004 - 08:15:49 PST)
Re: AMBER: A Question about RESP
Ming-Hsun Ho
(Sat Mar 06 2004 - 07:58:38 PST)
Re: AMBER: A Question about RESP
Ming-Hsun Ho
(Sat Mar 06 2004 - 22:15:16 PST)
AMBER: pka questions
hj zou
(Sat Mar 06 2004 - 19:22:54 PST)
AMBER: antechamber prepin
Guanglei Cui
(Sun Mar 07 2004 - 11:03:22 PST)
Re: AMBER: antechamber prepin
David A. Case
(Sun Mar 07 2004 - 22:49:48 PST)
Re: AMBER: antechamber prepin
Guanglei Cui
(Mon Mar 08 2004 - 08:22:40 PST)
AMBER: factor used in b-factor calculation
Fabian Boes
(Tue Mar 09 2004 - 00:12:11 PST)
Re: AMBER: factor used in b-factor calculation
ML
(Tue Mar 09 2004 - 02:36:57 PST)
Re: AMBER: factor used in b-factor calculation
Bimo Ario Tejo
(Wed Mar 10 2004 - 03:02:46 PST)
AMBER: a problem about alanine scan of proline
luocheng
(Tue Mar 09 2004 - 01:00:27 PST)
AMBER: Amber on RedHat 3.0
madeleine.richard.bull.net
(Tue Mar 09 2004 - 01:39:47 PST)
AMBER: MD simulation of a DNA decamer
Thomas Steinbrecher
(Tue Mar 09 2004 - 02:10:15 PST)
Re: AMBER: MD simulation of a DNA decamer
Vlad Cojocaru
(Tue Mar 09 2004 - 02:35:25 PST)
RE: AMBER: MD simulation of a DNA decamer
Ross Walker
(Tue Mar 09 2004 - 10:07:35 PST)
AMBER: what's the meaning of parameter NRUN
scopio
(Tue Mar 09 2004 - 05:40:51 PST)
Re: AMBER: what's the meaning of parameter NRUN
Carlos Simmerling
(Tue Mar 09 2004 - 06:04:29 PST)
Re: AMBER: what's the meaning of parameter NRUN
scopio
(Tue Mar 09 2004 - 17:25:07 PST)
Re: AMBER: what's the meaning of parameter NRUN
David A. Case
(Tue Mar 09 2004 - 22:31:33 PST)
Re: AMBER: what's the meaning of parameter NRUN
David A. Case
(Tue Mar 09 2004 - 07:23:56 PST)
AMBER: NMR restraint in sander
Lishan Yao
(Tue Mar 09 2004 - 06:19:30 PST)
Re: AMBER: NMR restraint in sander
Guanglei Cui
(Tue Mar 09 2004 - 06:55:15 PST)
AMBER: Residue question
opitz.che.udel.edu
(Tue Mar 09 2004 - 08:29:22 PST)
Re: AMBER: Residue question
David A. Case
(Wed Mar 10 2004 - 08:10:11 PST)
AMBER: mol2 vs. prepin
opitz.che.udel.edu
(Tue Mar 09 2004 - 08:53:46 PST)
Re: AMBER: mol2 vs. prepin
Guanglei Cui
(Tue Mar 09 2004 - 09:05:22 PST)
AMBER: sander + child process died
Carsten Detering
(Tue Mar 09 2004 - 18:18:21 PST)
AMBER: positive binding free energy
hj zou
(Tue Mar 09 2004 - 22:43:58 PST)
RE: AMBER: positive binding free energy
Yong Duan
(Wed Mar 10 2004 - 07:47:37 PST)
AMBER: Some questions in building a new residue
Chung-Chien Wei
(Wed Mar 10 2004 - 09:16:37 PST)
Re: AMBER: Some questions in building a new residue
Vlad Cojocaru
(Wed Mar 10 2004 - 09:28:55 PST)
Re: AMBER: Some questions in building a new residue
Ilyas Yildirim
(Wed Mar 10 2004 - 10:57:11 PST)
Re: AMBER: Some questions in building a new residue
Chung-Chien Wei
(Wed Mar 10 2004 - 11:49:33 PST)
Re: AMBER: Some questions in building a new residue
FyD
(Wed Mar 10 2004 - 12:31:25 PST)
AMBER: residue insertion
Yunfeng Hu
(Wed Mar 10 2004 - 16:24:52 PST)
Re: AMBER: residue insertion
David A. Case
(Wed Mar 10 2004 - 23:00:39 PST)
Re: AMBER: residue insertion
Scott Brozell
(Fri Mar 19 2004 - 15:01:02 PST)
AMBER: positive binding free energy
hj zou
(Thu Mar 11 2004 - 05:59:09 PST)
Re: AMBER: positive binding free energy
Natasja Brooijmans
(Thu Mar 11 2004 - 08:10:41 PST)
Re: AMBER: positive binding free energy
Jiri Sponer
(Thu Mar 11 2004 - 09:02:18 PST)
AMBER: PMEMD COMPILATION REDHAT
Obdulia Rabal
(Thu Mar 11 2004 - 10:36:45 PST)
Re: AMBER: PMEMD COMPILATION REDHAT
Robert Duke
(Thu Mar 11 2004 - 10:57:45 PST)
Re: AMBER: PMEMD COMPILATION REDHAT
David Smith
(Fri Mar 12 2004 - 05:55:13 PST)
AMBER: Atomic Charge in Residue
opitz.che.udel.edu
(Thu Mar 11 2004 - 11:29:21 PST)
AMBER: compiling on SGI
Beale, John
(Thu Mar 11 2004 - 13:26:22 PST)
Re: AMBER: compiling on SGI
Scott Brozell
(Thu Mar 11 2004 - 14:24:36 PST)
AMBER: Resizing sizes.h and recompiling problem!
Marco Aurelio Correia Preto
(Sat Mar 13 2004 - 06:38:56 PST)
Re: AMBER: Resizing sizes.h and recompiling problem!
David A. Case
(Sat Mar 13 2004 - 10:03:39 PST)
Re: AMBER: Resizing sizes.h and recompiling problem!
Stefano.Pieraccini.unimi.it
(Sat Mar 13 2004 - 10:03:07 PST)
Re: AMBER: Resizing sizes.h and recompiling problem!
Carlos Simmerling
(Sat Mar 13 2004 - 11:24:44 PST)
AMBER: Anal module on PDBs
Sanjeev B.S.
(Sat Mar 13 2004 - 07:35:31 PST)
RE: AMBER: Anal module on PDBs
Sanjeev B.S.
(Sat Mar 13 2004 - 11:25:07 PST)
Re: AMBER: Anal module on PDBs
Bill Ross
(Sat Mar 13 2004 - 16:17:25 PST)
AMBER: xleap couldn't display any word
scopio
(Sun Mar 14 2004 - 18:45:42 PST)
Re: AMBER: xleap couldn't display any word
John Bushnell
(Mon Mar 15 2004 - 11:46:50 PST)
Re: AMBER: xleap couldn't display any word
scopio
(Mon Mar 15 2004 - 17:44:47 PST)
AMBER: About RESP Calculation
Ilyas Yildirim
(Thu Mar 18 2004 - 23:20:16 PST)
Re: AMBER: About RESP Calculation
David A. Case
(Fri Mar 19 2004 - 08:14:29 PST)
Re: AMBER: About RESP Calculation
Ilyas Yildirim
(Fri Mar 19 2004 - 11:50:13 PST)
Re: AMBER: About RESP Calculation
FyD
(Fri Mar 19 2004 - 12:10:19 PST)
Re: AMBER: About RESP Calculation
David A. Case
(Fri Mar 19 2004 - 12:15:39 PST)
Re: AMBER: About RESP Calculation
FyD
(Fri Mar 19 2004 - 12:30:00 PST)
Re: AMBER: About RESP Calculation
Qing Zhang
(Fri Mar 19 2004 - 22:43:03 PST)
Re: AMBER: About RESP Calculation
FyD
(Sat Mar 20 2004 - 23:30:41 PST)
Re: AMBER: About RESP Calculation
FyD
(Fri Mar 19 2004 - 09:45:22 PST)
AMBER: Release announcement for Amber 8
David A. Case
(Sun Mar 14 2004 - 22:39:25 PST)
AMBER: new wed site for amber tutorials
Juan Fernandez-Carmona
(Mon Mar 15 2004 - 00:57:29 PST)
Re: AMBER: new wed site for amber tutorials
scopio
(Mon Mar 15 2004 - 00:17:19 PST)
AMBER: Hydrogen Bond-statistics
John
(Mon Mar 15 2004 - 08:56:53 PST)
Re: AMBER: new wed site for amber tutorials
David A. Case
(Mon Mar 15 2004 - 07:35:16 PST)
AMBER: How to convert charmm parameters to amber
scopio
(Mon Mar 15 2004 - 01:55:11 PST)
AMBER: [Fwd: No timings from jac test on opteron quad]
Arvid Soderhall
(Mon Mar 15 2004 - 05:28:02 PST)
AMBER: antechamber/mopac question
opitz.che.udel.edu
(Mon Mar 15 2004 - 12:20:24 PST)
Re: AMBER: antechamber/mopac question
David A. Case
(Mon Mar 15 2004 - 17:56:51 PST)
AMBER: rdparm/ptraj writeparm
david.evans.ulsop.ac.uk
(Tue Mar 16 2004 - 00:57:16 PST)
Re: AMBER: rdparm/ptraj writeparm
Thomas E. Cheatham, III
(Tue Mar 16 2004 - 09:04:47 PST)
Re: AMBER: rdparm/ptraj writeparm + leap problem
david.evans.ulsop.ac.uk
(Wed Mar 17 2004 - 01:36:51 PST)
Re: AMBER: rdparm/ptraj writeparm + leap problem
David A. Case
(Wed Mar 17 2004 - 08:33:34 PST)
Re: AMBER: rdparm/ptraj writeparm + leap problem
david.evans.ulsop.ac.uk
(Wed Mar 17 2004 - 08:50:16 PST)
AMBER: re:can i get help from you?
hj zou
(Tue Mar 16 2004 - 05:53:48 PST)
AMBER: literature question/residue charges
opitz.che.udel.edu
(Tue Mar 16 2004 - 12:09:43 PST)
AMBER: AMBER6 manual
Joseph Nachman
(Tue Mar 16 2004 - 13:09:53 PST)
Re: AMBER: AMBER6 manual
David A. Case
(Tue Mar 16 2004 - 13:30:52 PST)
AMBER: trajectory file
Joseph Nachman
(Tue Mar 16 2004 - 13:11:58 PST)
Re: AMBER: trajectory file
Bill Ross
(Tue Mar 16 2004 - 12:54:10 PST)
Re: AMBER: trajectory file
Joseph Nachman
(Tue Mar 23 2004 - 14:38:28 PST)
Re: AMBER: trajectory file
Bill Ross
(Tue Mar 23 2004 - 14:20:31 PST)
Re: AMBER: trajectory file
Joseph Nachman
(Mon Mar 29 2004 - 09:16:58 PST)
Re: AMBER: trajectory file
Andy Purkiss
(Mon Mar 29 2004 - 08:54:24 PST)
Re: AMBER: trajectory file
Rhonda Torres
(Mon Mar 29 2004 - 10:03:03 PST)
Re: AMBER: literature question/residue charges
Piotr Cieplak
(Tue Mar 16 2004 - 14:07:21 PST)
AMBER: How to use these parameters?
scopio
(Tue Mar 16 2004 - 17:15:15 PST)
Re: AMBER: How to use these parameters?
Juan Fernandez-Carmona
(Wed Mar 17 2004 - 00:41:39 PST)
Re: AMBER: How to use these parameters?
scopio
(Wed Mar 17 2004 - 01:31:28 PST)
AMBER: description of toplogy file format?
Oliver Hucke
(Tue Mar 16 2004 - 17:44:10 PST)
Re: AMBER: description of toplogy file format?
David A. Case
(Tue Mar 16 2004 - 17:57:26 PST)
AMBER: segmentation fault with sander
Carsten Detering
(Tue Mar 16 2004 - 18:29:55 PST)
AMBER: MD problem.
Osman Gani
(Wed Mar 17 2004 - 03:07:47 PST)
Re: AMBER: MD problem.
David A. Case
(Wed Mar 17 2004 - 08:36:04 PST)
AMBER: amber98 with amberffc+INSIGHT II
a b
(Wed Mar 17 2004 - 06:28:58 PST)
Re: AMBER: amber98 with amberffc+INSIGHT II
FyD
(Wed Mar 17 2004 - 07:50:28 PST)
AMBER: protein-protein interaction
Oscar Rey i Puiggròs
(Wed Mar 17 2004 - 06:50:06 PST)
Re: AMBER: protein-protein interaction
David A. Case
(Wed Mar 17 2004 - 08:37:40 PST)
AMBER: Preparing complex in Xleap for Amber calculations
warka.il.waw.pl
(Wed Mar 17 2004 - 08:02:38 PST)
Re: AMBER: Preparing complex in Xleap for Amber calculations
David A. Case
(Wed Mar 17 2004 - 08:39:27 PST)
AMBER: using LJ 10-12 non bonded potential for glycoproteins in Amber8
Tom Turner
(Wed Mar 17 2004 - 10:49:18 PST)
Re: AMBER: using LJ 10-12 non bonded potential for glycoproteins in Amber8
David A. Case
(Wed Mar 17 2004 - 11:26:00 PST)
AMBER: segmentation fault
Hailong Lin
(Thu Mar 18 2004 - 04:48:24 PST)
Re: AMBER: segmentation fault
David A. Case
(Thu Mar 18 2004 - 08:19:04 PST)
AMBER: segmentation fault when convert pdb to mol2
Ye Mei
(Thu Mar 18 2004 - 05:02:44 PST)
Re: AMBER: segmentation fault when convert pdb to mol2
David A. Case
(Thu Mar 18 2004 - 08:13:42 PST)
Re: Re: AMBER: segmentation fault when convert pdb to mol2
Ye Mei
(Thu Mar 18 2004 - 16:38:21 PST)
Re: AMBER: segmentation fault
Bill Ross
(Thu Mar 18 2004 - 10:22:24 PST)
Re: AMBER: segmentation fault
Hailong Lin
(Fri Mar 19 2004 - 04:41:50 PST)
Re: AMBER: segmentation fault
Scott Brozell
(Mon Mar 22 2004 - 18:10:27 PST)
Re: AMBER: segmentation fault
Scott Brozell
(Thu Mar 25 2004 - 14:33:32 PST)
AMBER: alignment problem using carnal
xhu1.memphis.edu
(Thu Mar 18 2004 - 11:48:55 PST)
AMBER: About RESP Calculation
Chris Moth
(Fri Mar 19 2004 - 13:38:40 PST)
Re: AMBER: About RESP Calculation
Piotr Cieplak
(Fri Mar 19 2004 - 12:20:42 PST)
AMBER: EWALD BOMB?
Ryan Ye
(Sat Mar 20 2004 - 11:28:01 PST)
Re: AMBER: EWALD BOMB?
Martina Roeselova
(Mon Mar 22 2004 - 11:42:01 PST)
Re: AMBER: EWALD BOMB?
scott.brown.abbott.com
(Mon Mar 22 2004 - 12:21:21 PST)
Re: AMBER: EWALD BOMB?
Scott Brozell
(Mon Mar 22 2004 - 12:44:51 PST)
AMBER: langevin dynamics
Wei Fu
(Sun Mar 21 2004 - 19:22:27 PST)
Re: AMBER: langevin dynamics
David A. Case
(Tue Mar 23 2004 - 14:33:01 PST)
Re: AMBER: langevin dynamics
Wei Fu
(Tue Mar 23 2004 - 18:39:44 PST)
AMBER: Compilation problem in SUN OS 5.7!
Pradipta Bandyopadhyay
(Mon Mar 22 2004 - 00:48:59 PST)
Re: AMBER: Compilation problem in SUN OS 5.7!
Scott Brozell
(Mon Mar 22 2004 - 13:57:03 PST)
AMBER: Assignment of parameters, missing parameters
Julien Michel
(Mon Mar 22 2004 - 07:47:15 PST)
Re: AMBER: Assignment of parameters, missing parameters
David A. Case
(Tue Mar 23 2004 - 14:28:59 PST)
AMBER: gibbs dynamic memory error
jwfang
(Mon Mar 22 2004 - 08:43:46 PST)
AMBER: Re: About RESP Calculation
FyD
(Mon Mar 22 2004 - 09:09:00 PST)
AMBER: SANDER general questions.
Osman Gani
(Mon Mar 22 2004 - 09:37:18 PST)
Re: AMBER: SANDER general questions.
Scott Brozell
(Mon Mar 22 2004 - 13:26:55 PST)
AMBER: [Fwd: KLAMBDA in amber7]
Ahammadunny Pathiaseril
(Mon Mar 22 2004 - 10:44:11 PST)
Re: AMBER: [Fwd: KLAMBDA in amber7]
David A. Case
(Wed Mar 24 2004 - 17:38:10 PST)
AMBER: downloading antechamber
astrid.maass
(Mon Mar 22 2004 - 23:53:56 PST)
Re: AMBER: downloading antechamber
David A. Case
(Tue Mar 23 2004 - 14:20:34 PST)
AMBER: M7G parameters
Vlad Cojocaru
(Tue Mar 23 2004 - 04:43:55 PST)
Re: AMBER: M7G parameters
David A. Case
(Tue Mar 23 2004 - 14:16:24 PST)
AMBER: Residue Charges
opitz.che.udel.edu
(Tue Mar 23 2004 - 07:17:38 PST)
Re: AMBER: Residue Charges
Rhonda Torres
(Tue Mar 23 2004 - 09:51:55 PST)
AMBER: About glycam2004
Javier Perez Miron
(Wed Mar 17 2004 - 19:02:47 PST)
RE: AMBER: About glycam2004
Ross Walker
(Tue Mar 23 2004 - 10:11:01 PST)
AMBER: gibbs error
Fang, Jianwen
(Tue Mar 23 2004 - 08:27:22 PST)
AMBER: How to make leap recognise inosine?
arvind.mbu.iisc.ernet.in
(Tue Mar 23 2004 - 09:33:40 PST)
Re: AMBER: How to make leap recognise inosine?
Rhonda Torres
(Tue Mar 23 2004 - 09:54:49 PST)
Re: AMBER: How to make leap recognise inosine?
Bill Ross
(Tue Mar 23 2004 - 09:57:27 PST)
AMBER: residence time
Ioana Cozmuta
(Tue Mar 23 2004 - 19:51:10 PST)
AMBER: fluorine in mmpbsa
ferranna.unimore.it
(Wed Mar 24 2004 - 01:49:27 PST)
AMBER: Amber: Equilibrated DMSO solvent box
Marco Aurelio Correia Preto
(Wed Mar 24 2004 - 03:32:31 PST)
Re: AMBER: Amber: Equilibrated DMSO solvent box
Jiten
(Wed Mar 24 2004 - 05:37:30 PST)
AMBER: non-isotropic pressure scaling
Lubos Vrbka
(Wed Mar 24 2004 - 04:38:08 PST)
Re: AMBER: non-isotropic pressure scaling
Robert Duke
(Wed Mar 24 2004 - 05:44:35 PST)
Re: AMBER: non-isotropic pressure scaling
Lubos Vrbka
(Wed Mar 24 2004 - 06:33:20 PST)
Re: AMBER: non-isotropic pressure scaling
Lubos Vrbka
(Wed Mar 31 2004 - 11:44:19 PST)
Re: AMBER: non-isotropic pressure scaling
Robert Duke
(Wed Mar 31 2004 - 12:35:14 PST)
AMBER: Cadmium
Beale, John
(Wed Mar 24 2004 - 05:10:36 PST)
AMBER: make sure of the Magnesium parameters
sychen
(Wed Mar 24 2004 - 10:15:25 PST)
Re: AMBER: make sure of the Magnesium parameters
Rhonda Torres
(Wed Mar 24 2004 - 10:53:55 PST)
AMBER: INtel Fortran 90 compiler
Carsten Detering
(Wed Mar 24 2004 - 11:03:17 PST)
Re: AMBER: INtel Fortran 90 compiler
Robert Duke
(Wed Mar 24 2004 - 12:36:35 PST)
Re: AMBER: INtel Fortran 90 compiler
Scott Brozell
(Wed Mar 24 2004 - 13:37:37 PST)
Re: AMBER: INtel Fortran 90 compiler
Robert Duke
(Wed Mar 24 2004 - 14:01:54 PST)
Re: AMBER: INtel Fortran 90 compiler
Robert Duke
(Wed Mar 24 2004 - 14:54:01 PST)
Re: AMBER: INtel Fortran 90 compiler
Bill Ross
(Wed Mar 24 2004 - 13:41:30 PST)
AMBER: vlimit and vmax problem
Venkata S Koppuravuri
(Wed Mar 24 2004 - 10:25:31 PST)
Re: AMBER: vlimit and vmax problem
Rhonda Torres
(Wed Mar 24 2004 - 13:05:20 PST)
Re: AMBER: vlimit and vmax problem
Bill Ross
(Wed Mar 24 2004 - 13:17:32 PST)
AMBER: Glycam04
Karl N. Kirschner
(Wed Mar 24 2004 - 11:37:56 PST)
AMBER: PMEMD and myrinet trouble
Chris Moth
(Wed Mar 24 2004 - 13:25:57 PST)
Re: AMBER: PMEMD and myrinet trouble
Robert Duke
(Wed Mar 24 2004 - 13:56:10 PST)
AMBER: PMEMD and myrinet trouble
Chris Moth
(Mon Mar 29 2004 - 11:05:07 PST)
Re: AMBER: PMEMD and myrinet trouble
Robert Duke
(Mon Mar 29 2004 - 11:16:36 PST)
AMBER: antechamber download files should now be available
David A. Case
(Wed Mar 24 2004 - 15:05:19 PST)
AMBER: Antechamber license ?
Julien Michel
(Thu Mar 25 2004 - 02:24:30 PST)
AMBER: RE: Amber: Equilibrated DMSO solvent box
Marco Aurelio Correia Preto
(Thu Mar 25 2004 - 01:26:41 PST)
AMBER: MM_PBSA GB parameters
david.evans.ulsop.ac.uk
(Thu Mar 25 2004 - 02:54:59 PST)
Re: AMBER: MM_PBSA GB parameters
david.evans.ulsop.ac.uk
(Thu Mar 25 2004 - 08:25:56 PST)
AMBER: phosphorylated serin / histidin
Nadine Homeyer
(Thu Mar 25 2004 - 05:04:38 PST)
AMBER: FW: Problems with antechamber innstallation
Osman Gani
(Thu Mar 25 2004 - 07:12:20 PST)
AMBER: Antechamber MOPAC
Beale, John
(Thu Mar 25 2004 - 07:24:56 PST)
Re: AMBER: Antechamber MOPAC
David A. Case
(Thu Mar 25 2004 - 16:34:53 PST)
AMBER: hbond analysis in ptraj(%occupied>1)
Lishan Yao
(Thu Mar 25 2004 - 07:19:01 PST)
Re: AMBER: hbond analysis in ptraj(%occupied>1)
Thomas E. Cheatham, III
(Thu Mar 25 2004 - 10:26:50 PST)
Re: AMBER: hbond analysis in ptraj(%occupied>1)
Sichun Yang
(Thu Mar 25 2004 - 10:46:01 PST)
Re: AMBER: hbond analysis in ptraj(%occupied>1)
Lishan Yao
(Thu Mar 25 2004 - 10:54:59 PST)
AMBER: GIBBS: FEP and TI
Miguel de Federico
(Mon Mar 29 2004 - 09:03:53 PST)
Re: AMBER: GIBBS: FEP and TI
David A. Case
(Wed Mar 31 2004 - 11:07:17 PST)
AMBER: undefined loops and protonate
Stern, Julie
(Thu Mar 25 2004 - 09:52:41 PST)
Re: AMBER: undefined loops and protonate
David A. Case
(Thu Mar 25 2004 - 16:37:47 PST)
AMBER: eedmeth
atchara.mercury.hec.utah.edu
(Thu Mar 25 2004 - 10:53:23 PST)
Re: AMBER: eedmeth
David A. Case
(Thu Mar 25 2004 - 16:46:44 PST)
AMBER: Error while protonating a PDB file
Mike
(Thu Mar 25 2004 - 15:47:54 PST)
Re: AMBER: Error while protonating a PDB file
David A. Case
(Thu Mar 25 2004 - 17:34:43 PST)
Re: AMBER: Error while protonating a PDB file
Madan
(Thu Mar 25 2004 - 21:03:56 PST)
Re: AMBER: Error while protonating a PDB file
David A. Case
(Sat Mar 27 2004 - 14:46:43 PST)
AMBER: Pang-model of Zn2+
Oliver Hucke
(Thu Mar 25 2004 - 17:04:48 PST)
Re: AMBER: Pang-model of Zn2+
Peter Oelschlaeger
(Thu Mar 25 2004 - 17:44:01 PST)
Re: AMBER: Pang-model of Zn2+
Kennie Merz
(Fri Mar 26 2004 - 05:52:43 PST)
AMBER: Pang Zn2+ model - correction
Oliver Hucke
(Thu Mar 25 2004 - 17:32:30 PST)
AMBER: a question about anal
Xiao He
(Thu Mar 25 2004 - 19:06:10 PST)
RE: AMBER: a question about anal
Chris Moth
(Thu Mar 25 2004 - 19:54:51 PST)
AMBER: nmanal - segmentation fault
Sivakolundu, Sivashankar
(Thu Mar 25 2004 - 22:11:16 PST)
AMBER: tleap error and warnings
Mike
(Thu Mar 25 2004 - 23:06:38 PST)
RE: AMBER: tleap error and warnings
Chris Moth
(Fri Mar 26 2004 - 07:34:08 PST)
AMBER: How to compile antechamber?
scopio
(Thu Mar 25 2004 - 23:17:54 PST)
Re: AMBER: How to compile antechamber?
Julien Michel
(Fri Mar 26 2004 - 02:35:11 PST)
Re: AMBER: How to compile antechamber?
David A. Case
(Fri Mar 26 2004 - 09:56:10 PST)
AMBER: Problem solved
Xiao He
(Fri Mar 26 2004 - 07:35:01 PST)
Be Smart
job Access
(Fri Mar 26 2004 - 09:26:13 PST)
AMBER:
Xiaowei Li
(Fri Mar 26 2004 - 12:21:08 PST)
Re: AMBER:
David A. Case
(Fri Mar 26 2004 - 13:41:32 PST)
Re: AMBER:
Xiaowei Li
(Fri Mar 26 2004 - 19:53:54 PST)
Re: Fwd: Re: AMBER: Pang-model of Zn2+
Oliver Hucke
(Fri Mar 26 2004 - 13:29:24 PST)
Re: Fwd: Re: AMBER: Pang-model of Zn2+
David A. Case
(Fri Mar 26 2004 - 14:18:35 PST)
AMBER: questions for PNA parameters
Suwipa saen-oon
(Fri Mar 26 2004 - 19:36:56 PST)
AMBER: erreo in sander
Anshul Awasthi
(Sat Mar 27 2004 - 05:15:54 PST)
Re: AMBER: erreo in sander
David A. Case
(Sat Mar 27 2004 - 01:13:20 PST)
AMBER: solvation energy
hj zou
(Sun Mar 28 2004 - 09:36:31 PST)
Re: AMBER: solvation energy
David A. Case
(Sun Mar 28 2004 - 21:15:25 PST)
AMBER: fix two groups
Helios Chen
(Sun Mar 28 2004 - 19:07:07 PST)
Re: AMBER: fix two groups
Carlos Simmerling
(Sun Mar 28 2004 - 19:16:17 PST)
Re: AMBER: fix two groups
Helios Chen
(Sun Mar 28 2004 - 20:54:58 PST)
Re: AMBER: fix two groups
Bill Ross
(Sun Mar 28 2004 - 21:35:00 PST)
Re: AMBER: fix two groups
Joseph Nachman
(Mon Mar 29 2004 - 08:14:33 PST)
AMBER: pmemd machinefiles
Lubos Vrbka
(Mon Mar 29 2004 - 02:38:13 PST)
Re: AMBER: pmemd machinefiles
Robert Duke
(Mon Mar 29 2004 - 04:51:56 PST)
Re: AMBER: pmemd machinefiles
Lubos Vrbka
(Mon Mar 29 2004 - 05:34:50 PST)
Re: AMBER: pmemd machinefiles
Robert Duke
(Mon Mar 29 2004 - 06:27:17 PST)
AMBER: HBOND calculation
John
(Mon Mar 29 2004 - 09:40:26 PST)
Re: AMBER: HBOND calculation
Rhonda Torres
(Mon Mar 29 2004 - 10:28:19 PST)
AMBER: radial distribution
franck
(Mon Mar 29 2004 - 05:20:48 PST)
Re: AMBER: HBOND calculation
Bill Ross
(Mon Mar 29 2004 - 10:24:59 PST)
AMBER: segmentation fault of minimization
scopio
(Mon Mar 29 2004 - 18:57:39 PST)
Re: AMBER: segmentation fault of minimization
Thomas E. Cheatham, III
(Mon Mar 29 2004 - 19:42:01 PST)
AMBER: gaff: hydrogen atom types
astrid.maass
(Mon Mar 29 2004 - 23:37:58 PST)
AMBER: segmentation fault when running parmchk
Ye Mei
(Tue Mar 30 2004 - 01:52:14 PST)
Re: AMBER: segmentation fault when running parmchk
David A. Case
(Wed Mar 31 2004 - 09:50:54 PST)
AMBER: Bad atom symbol, K+ and IB in vacuum
Skauge Tormod
(Tue Mar 30 2004 - 04:50:42 PST)
Re: AMBER: Bad atom symbol, K+ and IB in vacuum
Rhonda Torres
(Tue Mar 30 2004 - 10:30:23 PST)
Re: AMBER: Bad atom symbol, K+ and IB in vacuum
Skauge Tormod
(Wed Mar 31 2004 - 04:20:30 PST)
Re: AMBER: Bad atom symbol, K+ and IB in vacuum
David A. Case
(Wed Mar 31 2004 - 10:38:47 PST)
AMBER: solvation energy
hj zou
(Tue Mar 30 2004 - 04:55:20 PST)
AMBER: NMR refinement
John
(Tue Mar 30 2004 - 06:32:55 PST)
AMBER: pmemd speedup and interactions
Lubos Vrbka
(Wed Mar 31 2004 - 01:27:21 PST)
RE: AMBER: pmemd speedup and interactions
Ross Walker
(Wed Mar 31 2004 - 09:42:32 PST)
AMBER: pmemd speedup and interactions
Lubos Vrbka
(Wed Mar 31 2004 - 01:55:14 PST)
Re: AMBER: pmemd speedup and interactions
Robert Duke
(Wed Mar 31 2004 - 12:03:39 PST)
AMBER: Pasrameters for MAI
Anshul Awasthi
(Wed Mar 31 2004 - 13:46:18 PST)
AMBER: test output of amber8
Oliver Hucke
(Wed Mar 31 2004 - 15:54:38 PST)
Re: AMBER: test output of amber8
David A. Case
(Wed Mar 31 2004 - 17:37:50 PST)
AMBER: about glycam 04
Javier Perez Miron
(Mon Mar 29 2004 - 09:40:18 PST)
Last message date
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Thu Apr 01 2004 - 12:53:00 PST
Archived on
: Wed Dec 25 2024 - 05:53:22 PST
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