Amber Archive Sep 2002 By Thread
238 messages
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Starting
Sun Sep 01 2002 - 11:32:08 PDT,
Ending
Mon Sep 30 2002 - 17:34:28 PDT
This period
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mpirun
Ioana Cozmuta
(Sun Sep 01 2002 - 11:32:08 PDT)
RE: mpirun
Ross Walker
(Sun Sep 01 2002 - 15:36:24 PDT)
additional info
Ioana Cozmuta
(Sun Sep 01 2002 - 11:44:32 PDT)
Re: NTX value
giudice
(Mon Sep 02 2002 - 00:05:45 PDT)
mm_pbsa positive binding energies
Mathy Froeyen
(Mon Sep 02 2002 - 02:11:34 PDT)
Re: mm_pbsa positive binding energies
David A. Case
(Mon Sep 02 2002 - 10:50:30 PDT)
MDaemon Warning - Virus Found
postmaster_at_96com.com
(Mon Sep 02 2002 - 03:12:42 PDT)
MDaemon Warning - Virus Found
postmaster_at_96com.com
(Mon Sep 02 2002 - 04:25:18 PDT)
carnal averaging
Vlad Cojocaru
(Mon Sep 02 2002 - 04:43:33 PDT)
Re: carnal averaging
Holger Gohlke
(Mon Sep 02 2002 - 13:43:52 PDT)
atoms coming too close during MD (with SHAKE on)
Pratul Agarwal
(Mon Sep 02 2002 - 18:01:18 PDT)
Re: ES40 hangs amber7 jobs.
Sanjeev B.S.
(Mon Sep 02 2002 - 19:29:45 PDT)
question
Ioana Cozmuta
(Tue Sep 03 2002 - 10:46:04 PDT)
RE: PyMOL + AMBER Trajectories
DeLano, Warren
(Tue Sep 03 2002 - 10:51:57 PDT)
MDaemon Warning - Virus Found
postmaster_at_96com.com
(Wed Sep 04 2002 - 03:40:26 PDT)
Escaping Atoms
ch cureton
(Wed Sep 04 2002 - 03:43:03 PDT)
RE: Escaping Atoms
case
(Thu Sep 05 2002 - 15:04:06 PDT)
bondbydistance
eric hu
(Thu Sep 05 2002 - 16:20:43 PDT)
RE: bondbydistance
case
(Fri Sep 06 2002 - 17:04:02 PDT)
RE: bondbydistance
Nicholson, James D Mr ARO
(Sat Sep 07 2002 - 17:16:28 PDT)
about amber and charmm, thanks
Zhang Jian
(Sun Sep 08 2002 - 02:10:57 PDT)
who to address this to?...
Jessica Swanson
(Sun Sep 08 2002 - 15:59:23 PDT)
Re: who to address this to?...
Holger Gohlke
(Mon Sep 09 2002 - 09:25:00 PDT)
Re: who to address this to?...
Michael Crowley
(Mon Sep 09 2002 - 10:41:16 PDT)
amber7 compilation on irix6.4 mp
K.Seshadri
(Mon Sep 09 2002 - 10:44:13 PDT)
How to check whether the trajectory file matches the coordinates file or not?
Ling Zhang
(Mon Sep 09 2002 - 11:31:13 PDT)
Re: How to check whether the trajectory file matches the coordinates file or not?
Shixiang Yan
(Mon Sep 09 2002 - 11:53:04 PDT)
RE: How to check whether the trajectory file matches the coordinates file or not?
Kristina Furse
(Mon Sep 09 2002 - 12:32:27 PDT)
why are the results so large difference calculating by mm_pbsa and mm_gbsa?
Yongjun Jiang
(Tue Sep 10 2002 - 00:18:46 PDT)
Re: why are the results so large difference calculating by mm_pbsa and mm_gbsa?
Holger Gohlke
(Tue Sep 10 2002 - 09:26:07 PDT)
Strange MD simulation results with GB solvation at high temp.
Soonmin Jang
(Tue Sep 10 2002 - 03:09:06 PDT)
Re: Strange MD simulation results with GB solvation at high temp.
Carlos Simmerling
(Tue Sep 10 2002 - 05:07:58 PDT)
Re: Strange MD simulation results with GB solvation at high temp.
Soonmin Jang
(Tue Sep 10 2002 - 08:56:53 PDT)
MDaemon Warning - Virus Found
postmaster_at_96com.com
(Tue Sep 10 2002 - 08:57:00 PDT)
nmode compile question?
Yongjun Jiang
(Tue Sep 10 2002 - 05:46:18 PDT)
Re: nmode compile question?
Holger Gohlke
(Tue Sep 10 2002 - 09:17:24 PDT)
Re: nmode compile question?
James W. Caldwell
(Tue Sep 10 2002 - 11:04:07 PDT)
rdparm
Joffre Heredia
(Tue Sep 10 2002 - 11:07:26 PDT)
loadpdb error messages
Joel Konkle-Parker
(Tue Sep 10 2002 - 15:58:07 PDT)
Re: loadpdb error messages
James W. Caldwell
(Tue Sep 10 2002 - 16:49:48 PDT)
Polarizability, a general question
Michal Otyepka
(Wed Sep 11 2002 - 01:56:32 PDT)
memory allocation in mm_pbsa
Giulio Rastelli
(Wed Sep 11 2002 - 03:41:04 PDT)
Re: memory allocation in mm_pbsa
James W. Caldwell
(Wed Sep 11 2002 - 08:26:19 PDT)
Re: memory allocation in mm_pbsa
Holger Gohlke
(Wed Sep 11 2002 - 08:55:07 PDT)
Problems during equilibration
Pratul Agarwal
(Wed Sep 11 2002 - 12:38:36 PDT)
Re: Problems during equilibration
Pratul Agarwal
(Wed Sep 11 2002 - 13:14:05 PDT)
Dual Processor AMD vs. Single Processor
DeLano, Warren
(Wed Sep 11 2002 - 17:34:47 PDT)
Re: Dual Processor AMD vs. Single Processor
Stéphane Teletchéa
(Thu Sep 12 2002 - 01:09:58 PDT)
Qustion about calculation of pressure
Nikolai Smolin
(Thu Sep 12 2002 - 03:01:44 PDT)
Re: Qustion about calculation of pressure
James W. Caldwell
(Thu Sep 12 2002 - 09:43:25 PDT)
sorry this is just a test
Vlad Cojocaru
(Thu Sep 12 2002 - 08:23:24 PDT)
leap and topology file
Marcela Madrid
(Thu Sep 12 2002 - 09:12:20 PDT)
Re: leap and topology file
Lepsa
(Fri Sep 13 2002 - 07:39:45 PDT)
sander.LES questions
Peter Varnai
(Thu Sep 12 2002 - 09:27:12 PDT)
Re: sander.LES questions
Carlos Simmerling
(Thu Sep 12 2002 - 10:24:25 PDT)
large energy fluctration
eric hu
(Thu Sep 12 2002 - 11:05:10 PDT)
Re: large energy fluctration
Carlos Simmerling
(Thu Sep 12 2002 - 11:50:09 PDT)
Re: large energy fluctration
eric hu
(Fri Sep 20 2002 - 11:00:17 PDT)
the amino group of 2amino purine has strange behaviour
Vlad Cojocaru
(Thu Sep 12 2002 - 11:42:10 PDT)
Re: Problems during equilibration
Pratul Agarwal
(Wed Sep 11 2002 - 19:40:05 PDT)
just a test
Vlad Cojocaru
(Wed Sep 11 2002 - 06:39:59 PDT)
GBSA and surface crystal waters
Raik Grunberg
(Tue Sep 10 2002 - 07:44:20 PDT)
Re: Strange MD simulation results with GB solvation at high temp.
David A. Case
(Wed Sep 11 2002 - 18:20:17 PDT)
Re: Strange MD simulation results with GB solvation at high temp.
Carlos Simmerling
(Wed Sep 11 2002 - 19:04:44 PDT)
Re: Strange MD simulation results with GB solvation at high temp.
Soonmin Jang
(Thu Sep 12 2002 - 22:21:32 PDT)
Distace dependent dielectric constant
Lorenzo Gontrani
(Mon Sep 09 2002 - 01:33:43 PDT)
Re: Distace dependent dielectric constant
David A. Case
(Thu Sep 12 2002 - 15:39:35 PDT)
Changing MAXINT
Joel Konkle-Parker
(Thu Sep 12 2002 - 16:21:13 PDT)
Re: Changing MAXINT
John Bushnell
(Fri Sep 13 2002 - 15:38:52 PDT)
D-tryptophan
Perdita Barran
(Sat Sep 14 2002 - 07:16:45 PDT)
Re: D-tryptophan
James W. Caldwell
(Sat Sep 14 2002 - 08:21:42 PDT)
amber
K.Veluraja
(Sun Sep 15 2002 - 22:14:04 PDT)
amber question
yao yong
(Mon Sep 16 2002 - 04:03:16 PDT)
Re: amber question
David A. Case
(Mon Sep 16 2002 - 09:47:03 PDT)
Re: amber question
James W. Caldwell
(Mon Sep 16 2002 - 10:24:20 PDT)
SETVEL, incorrect number of arguments?
Giovanni Fossati
(Mon Sep 16 2002 - 15:43:30 PDT)
Re: SETVEL, incorrect number of arguments?
David A. Case
(Tue Sep 17 2002 - 12:18:38 PDT)
non-bonded metal ion in complex
yuann
(Mon Sep 16 2002 - 23:28:45 PDT)
Re: non-bonded metal ion in complex
Pratul Agarwal
(Tue Sep 17 2002 - 06:59:14 PDT)
question about nmode again.
Yongjun Jiang
(Tue Sep 17 2002 - 00:15:54 PDT)
Re: question about nmode again.
David A. Case
(Tue Sep 17 2002 - 07:40:00 PDT)
RE: Changing MAXINT
Ross Walker
(Mon Sep 16 2002 - 07:39:36 PDT)
binding site volume
Shixiang Yan
(Thu Sep 12 2002 - 16:38:41 PDT)
Re: binding site volume
Michal Otyepka
(Fri Sep 13 2002 - 00:13:08 PDT)
MDaemon Warning - Virus Found
postmaster_at_96com.com
(Fri Sep 13 2002 - 06:10:40 PDT)
MDaemon Warning - Virus Found
postmaster_at_96com.com
(Fri Sep 13 2002 - 06:13:22 PDT)
problems on IBM AIX
Giovanni Fossati
(Thu Sep 12 2002 - 18:43:52 PDT)
Re: problems on IBM AIX
David A. Case
(Fri Sep 13 2002 - 07:42:14 PDT)
Re: problems on IBM AIX
Carlos P. Sosa
(Fri Sep 13 2002 - 08:47:31 PDT)
Beowulf killing jobs
Peter Gannett
(Fri Sep 13 2002 - 14:03:19 PDT)
RE: Beowulf killing jobs
Ross Walker
(Mon Sep 16 2002 - 07:46:45 PDT)
example 1 problems
Alicia Hopkins
(Mon Sep 16 2002 - 08:57:23 PDT)
Re: example 1 problems
David A. Case
(Mon Sep 16 2002 - 09:25:54 PDT)
Re: example 1 problems
Alicia Hopkins
(Tue Sep 17 2002 - 05:03:53 PDT)
Re: example 1 problems
James W. Caldwell
(Tue Sep 17 2002 - 07:24:30 PDT)
Re: example 1 problems
David A. Case
(Tue Sep 17 2002 - 07:45:31 PDT)
mm_pbsa question.
wentaofu
(Tue Sep 17 2002 - 08:35:59 PDT)
Density during equilibration (sander)
Pratul Agarwal
(Tue Sep 17 2002 - 09:56:10 PDT)
Re: Density during equilibration (sander)
David A. Case
(Tue Sep 17 2002 - 12:21:49 PDT)
Re: Density during equilibration (sander)
Marc Dobler
(Tue Sep 17 2002 - 17:29:22 PDT)
Re: Density during equilibration (sander)
Carlos Simmerling
(Tue Sep 17 2002 - 18:44:13 PDT)
Re: Density during equilibration (sander)
Marc Dobler
(Wed Sep 18 2002 - 00:11:21 PDT)
Carnal+HBond confusion
Sanjeev B.S.
(Wed Sep 18 2002 - 21:18:36 PDT)
Re: Carnal+HBond confusion
Sanjeev B.S.
(Tue Sep 24 2002 - 05:13:05 PDT)
bug in New2oldparm
Pascal Bonnet
(Thu Sep 19 2002 - 03:35:46 PDT)
Re: bug in New2oldparm
David A. Case
(Thu Sep 19 2002 - 08:28:30 PDT)
offset of temperature when running MD with CAP and no periodic conditions
Therese Malliavin
(Thu Sep 19 2002 - 08:44:24 PDT)
Re: offset of temperature when running MD with CAP and no periodic conditions
Andreas Svrcek-Seiler
(Thu Sep 19 2002 - 10:11:31 PDT)
image
X. Tan
(Thu Sep 19 2002 - 10:32:15 PDT)
Re: image
David A. Case
(Thu Sep 19 2002 - 10:43:32 PDT)
Question about Counterions
Markus Drumm
(Thu Sep 19 2002 - 10:38:24 PDT)
new2oldparm format (2)
Pascal Bonnet
(Thu Sep 19 2002 - 03:43:39 PDT)
a freeware to display RMSD matrices
Vlad Cojocaru
(Thu Sep 19 2002 - 05:44:53 PDT)
Re: a freeware to display RMSD matrices
CUI, Guanglei
(Thu Sep 19 2002 - 06:42:29 PDT)
Re: Density during equilibration (sander)
Pratul Agarwal
(Tue Sep 17 2002 - 17:22:22 PDT)
Re: Density during equilibration (sander)
Pratul Agarwal
(Thu Sep 26 2002 - 07:09:02 PDT)
Re: example 1 problems
Natasja Brooijmans
(Mon Sep 16 2002 - 09:40:38 PDT)
assistance required
amit kumar
(Mon Sep 16 2002 - 09:25:05 PDT)
Help using moilview to make animations of trajectories
Nicholson, James D Mr ARO
(Fri Sep 13 2002 - 15:15:33 PDT)
parameterization of a new class of compounds (nucleic acid base analogues)
Vlad Cojocaru
(Mon Sep 09 2002 - 02:40:05 PDT)
MDaemon Warning - Virus Found
postmaster_at_96com.com
(Mon Sep 09 2002 - 04:04:45 PDT)
MDaemon Warning - Virus Found
postmaster_at_96com.com
(Fri Sep 06 2002 - 04:13:47 PDT)
group selection for all heavy atoms ?
Raik Grunberg
(Fri Sep 06 2002 - 09:23:33 PDT)
compiling amber on a linux box using DMEM-ALLOC
ramon kleber da rocha
(Fri Sep 06 2002 - 13:46:43 PDT)
Re: compiling amber on a linux box using DMEM-ALLOC
Scott Brozell
(Fri Sep 06 2002 - 15:01:27 PDT)
Re: compiling amber on a linux box using DMEM-ALLOC
ramon kleber da rocha
(Fri Sep 06 2002 - 16:11:55 PDT)
Re: compiling amber on a linux box using DMEM-ALLOC
John Bushnell
(Fri Sep 06 2002 - 16:43:12 PDT)
Re: compiling amber on a linux box using DMEM-ALLOC
James W. Caldwell
(Fri Sep 06 2002 - 17:56:42 PDT)
Re: compiling amber on a linux box using DMEM-ALLOC
Scott Brozell
(Fri Sep 06 2002 - 17:16:40 PDT)
Re: compiling amber on a linux box using DMEM-ALLOC
Florian Barth
(Fri Sep 06 2002 - 15:13:31 PDT)
cut-off question
Cozmuta
(Fri Sep 06 2002 - 15:49:21 PDT)
RE: cut-off question
case
(Fri Sep 06 2002 - 17:01:28 PDT)
old prmtop
Thomas Steinbrecher
(Wed Sep 04 2002 - 08:56:47 PDT)
Re: old prmtop
C. Klein
(Wed Sep 04 2002 - 09:21:18 PDT)
Re: old prmtop
Holger Gohlke
(Wed Sep 04 2002 - 09:21:32 PDT)
Re: old prmtop
Peter Gannett
(Wed Sep 04 2002 - 11:10:56 PDT)
how to detect bad contact?
X. Tan
(Wed Sep 04 2002 - 12:14:40 PDT)
cut-off question
Ioana Cozmuta
(Wed Sep 04 2002 - 12:43:38 PDT)
DNA Tutorial Script
Joel Konkle-Parker
(Wed Sep 04 2002 - 16:18:16 PDT)
Re: DNA Tutorial Script
Holger Gohlke
(Wed Sep 04 2002 - 20:29:23 PDT)
why are the results so large difference calculating by mm_pbsaandmm_gbsa?
Yongjun Jiang
(Thu Sep 12 2002 - 00:25:32 PDT)
Z DNA
Sue Heavner
(Tue Sep 17 2002 - 12:55:04 PDT)
RE: compiling without ISTAR2
Ross Walker
(Thu Sep 19 2002 - 10:50:49 PDT)
BLOWUP after 100 ns???
Randy M. Wadkins
(Thu Sep 19 2002 - 13:51:28 PDT)
Re: BLOWUP after 100 ns???
Randy M. Wadkins
(Thu Sep 19 2002 - 14:39:48 PDT)
Re: BLOWUP after 100 ns???
David A. Case
(Thu Sep 19 2002 - 17:29:58 PDT)
Re: BLOWUP after 100 ns???
Randy M. Wadkins
(Thu Sep 19 2002 - 18:41:16 PDT)
Dynamic Movement of Molecule
Yuuki Komata
(Fri Sep 20 2002 - 01:03:48 PDT)
Re: Dynamic Movement of Molecule
Thomas Cheatham
(Fri Sep 20 2002 - 12:01:39 PDT)
ptraj rdf output
Prabal Maiti
(Fri Sep 20 2002 - 16:24:35 PDT)
Periodicity Question
DeLano, Warren
(Fri Sep 20 2002 - 17:29:49 PDT)
Re: Parameters for AMBER
David A. Case
(Fri Sep 20 2002 - 06:53:18 PDT)
mol2 file format in the future of amber
M. L. Dodson
(Fri Sep 20 2002 - 07:41:02 PDT)
Re: mol2 file format in the future of amber
David A. Case
(Sun Sep 22 2002 - 08:10:42 PDT)
Re: mol2 file format in the future of amber
M. L. Dodson
(Sun Sep 22 2002 - 08:34:06 PDT)
Re: vlimit and vmax
Thomas Cheatham
(Fri Sep 20 2002 - 12:14:11 PDT)
Re: vlimit and vmax
darden
(Fri Sep 20 2002 - 12:27:10 PDT)
mm_pbsa
Sue Heavner
(Fri Sep 20 2002 - 13:00:36 PDT)
Re: mm_pbsa
Holger Gohlke
(Sun Sep 22 2002 - 14:01:22 PDT)
Re: mm_pbsa
Mahadevan Seetharaman
(Sun Sep 22 2002 - 19:07:27 PDT)
Re: mm_pbsa
David A. Case
(Mon Sep 23 2002 - 06:25:02 PDT)
ptraj-6.4/LES
Peter Varnai
(Mon Sep 23 2002 - 02:18:25 PDT)
Re: Do I have to rerun 1ns MD??
Holger Gohlke
(Sun Sep 22 2002 - 12:30:40 PDT)
Re: betaP,SURFOFF inconsistency
Holger Gohlke
(Sun Sep 22 2002 - 13:20:03 PDT)
Fw: Do I have to rerun 1ns MD??
Lepsa
(Mon Sep 23 2002 - 08:50:26 PDT)
mm_pbsa output error
Michael Murray
(Mon Sep 23 2002 - 10:26:11 PDT)
Re: mm_pbsa output error
Holger Gohlke
(Mon Sep 23 2002 - 21:21:30 PDT)
watershell in ptraj
Michael Trieb
(Tue Sep 24 2002 - 02:03:49 PDT)
expression of V(lambda) in GIBBS
hagop demirdjian
(Tue Sep 24 2002 - 05:44:02 PDT)
Re: expression of V(lambda) in GIBBS
David A. Case
(Tue Sep 24 2002 - 07:14:01 PDT)
Re: watershell in ptraj
Thomas Cheatham
(Tue Sep 24 2002 - 12:28:09 PDT)
ambpdb?
Arvid Soederhaell
(Wed Sep 25 2002 - 00:38:34 PDT)
Re: ambpdb?
Lepsa
(Wed Sep 25 2002 - 01:29:25 PDT)
ptraj - BONDS_WITHOUT_HYDROGEN
Sophia Kondratova
(Wed Sep 25 2002 - 09:54:48 PDT)
(no subject)
Apostoluk, Wlodzimierz K
(Wed Sep 25 2002 - 12:09:53 PDT)
Re: your mail
David A. Case
(Mon Sep 30 2002 - 09:35:06 PDT)
compiling amber 7 with Intel Fortran Compiler 6.0
ramon kleber da rocha
(Wed Sep 25 2002 - 12:23:21 PDT)
Re: compiling amber 7 with Intel Fortran Compiler 6.0
Scott Brozell
(Wed Sep 25 2002 - 13:05:45 PDT)
compiling amber 7 with Intel Fortran Compiler 6.0 (fwd)
John Bushnell
(Wed Sep 25 2002 - 13:10:50 PDT)
Re: compiling amber 7 with Intel Fortran Compiler 6.0
James W. Caldwell
(Wed Sep 25 2002 - 13:16:48 PDT)
Re: compiling amber 7 with Intel Fortran Compiler 6.0
James W. Caldwell
(Wed Sep 25 2002 - 13:58:04 PDT)
Question about Antechamber
Masaki Tomimoto
(Wed Sep 25 2002 - 14:37:55 PDT)
Re: Question about Antechamber
David A. Case
(Thu Sep 26 2002 - 08:28:51 PDT)
mm_pbsa and statistic program
Pascal Bonnet
(Thu Sep 26 2002 - 03:50:52 PDT)
Re: mm_pbsa and statistic program
David A. Case
(Thu Sep 26 2002 - 08:37:15 PDT)
Torsion driving
ch cureton
(Thu Sep 26 2002 - 09:00:34 PDT)
Question on Antechamber paper
Nicholson, James D Mr ARO
(Thu Sep 26 2002 - 10:18:17 PDT)
Amber Reflector
James W. Caldwell
(Thu Sep 26 2002 - 10:47:58 PDT)
Constant pressure equilibration in a system with a solvent cap
dianah_at_unm.edu
(Thu Sep 26 2002 - 18:04:38 PDT)
Re: Constant pressure equilibration in a system with a solvent cap
James W. Caldwell
(Fri Sep 27 2002 - 06:54:46 PDT)
nmanal help request
Peter Fojan
(Fri Sep 27 2002 - 06:59:11 PDT)
Re: nmanal help request
David A. Case
(Fri Sep 27 2002 - 08:38:23 PDT)
Re: Constant pressure equilibration in a system with a solvent cap
David A. Case
(Fri Sep 27 2002 - 08:26:09 PDT)
Re: Constant pressure equilibration in a system with a solvent cap
David Smith
(Fri Sep 27 2002 - 09:11:19 PDT)
MM-PBSA basics
Michael Ford
(Fri Sep 27 2002 - 12:53:01 PDT)
Re: MM-PBSA basics
Holger Gohlke
(Sun Sep 29 2002 - 19:44:52 PDT)
Re: MM-PBSA basics
Lepsa
(Mon Sep 30 2002 - 00:13:16 PDT)
groups in targeted md
Christoph Brockmann
(Mon Sep 30 2002 - 06:15:10 PDT)
Re: groups in targeted md
Carlos Simmerling
(Mon Sep 30 2002 - 07:04:26 PDT)
Re: groups in targeted md
Christoph Brockmann
(Mon Sep 30 2002 - 07:48:16 PDT)
Amber 7 and 6 topology files.
Miguel de Federico
(Mon Sep 30 2002 - 08:08:36 PDT)
Re: Amber 7 and 6 topology files.
James W. Caldwell
(Mon Sep 30 2002 - 08:41:25 PDT)
BondEn shoots in solvent minimization
suvendu lomash
(Mon Sep 30 2002 - 08:50:39 PDT)
write problem on IBM-AIX
Giovanni Fossati
(Mon Sep 30 2002 - 08:51:54 PDT)
Image charges with the solvate cap command
dkeller_at_unm.edu
(Mon Sep 30 2002 - 08:52:11 PDT)
Re: Image charges with the solvate cap command
David A. Case
(Mon Sep 30 2002 - 17:34:28 PDT)
MD Primers
Joel Konkle-Parker
(Fri Sep 27 2002 - 12:54:03 PDT)
Re: MD Primers
Peter Gannett
(Fri Sep 27 2002 - 16:34:40 PDT)
Request for help with Antechamber
Nicholson, James D Mr ARO
(Fri Sep 27 2002 - 16:58:58 PDT)
Re: Request for help with Antechamber
David A. Case
(Fri Sep 27 2002 - 17:54:21 PDT)
Re: Request for help with Antechamber
James W. Caldwell
(Fri Sep 27 2002 - 22:54:24 PDT)
question about using 10-12 in amber7/sander.
Margaret Cheung
(Sat Sep 28 2002 - 12:53:56 PDT)
Re: question about using 10-12 in amber7/sander.
Margaret Cheung
(Sat Sep 28 2002 - 13:35:48 PDT)
parameters for sugars
A.Madhumalar
(Sun Sep 29 2002 - 09:30:36 PDT)
Re: parameters for sugars
Elsa de Sousa Henriques
(Mon Sep 30 2002 - 09:42:24 PDT)
Problems with poly(A)-poly(T) tutorial...
Andrei Leitão
(Mon Sep 30 2002 - 12:55:53 PDT)
Partial charge generation RESP/antechamber
James W. Caldwell
(Mon Sep 30 2002 - 15:27:37 PDT)
divalent cations parameters
Apostoluk, Wlodzimierz K
(Mon Sep 30 2002 - 15:38:11 PDT)
RE: Request for help with Antechamber
Nicholson, James D Mr ARO
(Fri Sep 27 2002 - 18:00:37 PDT)
Is H-bonding really there?
suvendu lomash
(Fri Sep 27 2002 - 12:59:48 PDT)
Re: Is H-bonding really there?
Thomas Cheatham
(Fri Sep 27 2002 - 13:53:24 PDT)
Re: Is H-bonding really there?
Pratul Agarwal
(Fri Sep 27 2002 - 13:58:25 PDT)
Re: Is H-bonding really there?
Ioana Cozmuta
(Fri Sep 27 2002 - 15:04:37 PDT)
Anal Error : Group
Lifeng Tian
(Fri Sep 27 2002 - 15:35:23 PDT)
different counterions for special type of DNA
Vlad Cojocaru
(Thu Sep 26 2002 - 05:59:31 PDT)
RMSD for heavy atoms only
Pratul Agarwal
(Wed Sep 25 2002 - 13:54:45 PDT)
sander_classic: Recompile without ISTAR2
Mahadevan Seetharaman
(Wed Sep 25 2002 - 12:53:59 PDT)
ISTAR2 - oops, just found the answer...
Mahadevan Seetharaman
(Wed Sep 25 2002 - 12:55:46 PDT)
antechamber best practices/charge equivalence w/ AM1-BCC
Tom Bishop
(Mon Sep 23 2002 - 14:28:57 PDT)
RE: antechamber best practices/charge equivalence w/ AM1-BCC
Bayly, Christopher
(Tue Sep 24 2002 - 07:49:56 PDT)
Mopac509mn/linux
James W. Caldwell
(Tue Sep 24 2002 - 08:00:20 PDT)
Re: GB tutorial
David A. Case
(Thu Sep 26 2002 - 08:31:19 PDT)
Last message date
:
Mon Sep 30 2002 - 17:34:28 PDT
Archived on
: Wed Mar 17 2010 - 05:58:56 PDT
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