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