Amber Archive Feb 2001 By Thread
142 messages
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Starting
Wed Jan 31 2001 - 23:37:36 PST,
Ending
Wed Feb 28 2001 - 20:01:47 PST
This period
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SUMMARY for GAMESS/GAUSSIAN MEP
Francois Dupradeau
(Wed Jan 31 2001 - 23:37:36 PST)
I'm upset !
Stephane
(Thu Feb 01 2001 - 01:55:15 PST)
Re: I'm upset !
Nelson Brito
(Thu Feb 01 2001 - 02:51:49 PST)
Re: I'm upset !
samantha hughes
(Thu Feb 01 2001 - 02:17:16 PST)
NSCM in periodic simulations
Peter Varnai
(Thu Feb 01 2001 - 07:24:55 PST)
Re: I'm upset !
Dow Hurst
(Thu Feb 01 2001 - 07:40:12 PST)
sense of justice
Nelson Teixeira Brito
(Thu Feb 01 2001 - 09:53:36 PST)
Nonbonded Pair List
Troy Bothwell
(Fri Feb 02 2001 - 11:18:16 PST)
how do I turn on the verbose option?
Marcela Madrid
(Fri Feb 02 2001 - 12:01:46 PST)
error msg
Eoin Galligan
(Mon Feb 05 2001 - 04:44:59 PST)
error msg
Eoin Galligan
(Mon Feb 05 2001 - 04:44:59 PST)
parm96
Giulio Rastelli
(Tue Feb 06 2001 - 09:18:25 PST)
ptraj
Troy Bothwell
(Tue Feb 06 2001 - 10:36:20 PST)
AMBER parameter for HCOO(-) and NCHCHNHC
Yinghong Sheng
(Tue Feb 06 2001 - 15:18:00 PST)
not using SHAKE
Eoin Galligan
(Wed Feb 07 2001 - 05:27:24 PST)
Re: not using SHAKE
Michael Cooney
(Wed Feb 07 2001 - 08:32:51 PST)
Lone Pairs.
Fred P. Arnold
(Wed Feb 07 2001 - 14:19:32 PST)
RE: Lone Pairs.
Bayly, Christopher
(Thu Feb 08 2001 - 08:39:39 PST)
Bang for the Buck
Robert Matthew Fesinmeyer
(Fri Feb 09 2001 - 13:50:57 PST)
Re: Bang for the Buck
mite51
(Fri Feb 09 2001 - 14:33:44 PST)
Re: Bang for the Buck
David Konerding
(Fri Feb 09 2001 - 14:54:13 PST)
Re: Bang for the Buck
Jarrod Smith
(Fri Feb 09 2001 - 18:55:10 PST)
Re: Bang for the Buck
David Pearlman
(Fri Feb 09 2001 - 15:19:12 PST)
Re: Bang for the Buck
Bill Ross
(Fri Feb 09 2001 - 15:51:42 PST)
Re: Bang for the Buck
David Pearlman
(Fri Feb 09 2001 - 17:16:42 PST)
Re: Bang for the Buck
Jarrod Smith
(Fri Feb 09 2001 - 18:13:31 PST)
Re: Bang for the Buck
Carlos Simmerling
(Fri Feb 09 2001 - 19:59:16 PST)
Re: Bang for the Buck
R. M. Fesinmeyer
(Sat Feb 10 2001 - 03:10:46 PST)
Regarding MD
dynamic group
(Sat Feb 10 2001 - 01:29:42 PST)
Re: Regarding MD
Andreas Svrcek-Seiler
(Sun Feb 11 2001 - 23:26:12 PST)
Regarding the construction of gris in insightII
dynamic group
(Mon Feb 12 2001 - 01:43:19 PST)
batch mode
Fernanda Camarinha
(Mon Feb 12 2001 - 09:29:07 PST)
Re: batch mode
Jake Isaacs
(Mon Feb 12 2001 - 10:18:28 PST)
a few more questions
Jake Isaacs
(Mon Feb 12 2001 - 10:37:16 PST)
Gibbs
Ann Hermone
(Mon Feb 12 2001 - 12:17:51 PST)
Re: Bang for the Buck
Margaret Cheung
(Sat Feb 10 2001 - 23:20:46 PST)
(no subject)
noor gaffoor
(Sun Feb 11 2001 - 21:08:17 PST)
Re: Ionic solutions
Bill Ross
(Mon Feb 12 2001 - 14:52:07 PST)
Re: Ionic solutions
Elsa Sousa Henriques
(Tue Feb 13 2001 - 10:01:08 PST)
Re: Ionic solutions
Thomas Cheatham
(Tue Feb 13 2001 - 10:22:54 PST)
RE: Ionic solutions
Yong Duan
(Tue Feb 13 2001 - 12:49:58 PST)
Re: Ionic solutions
Elsa Sousa Henriques
(Tue Feb 13 2001 - 13:56:18 PST)
Re: Ionic solutions
Mihaly Mezei
(Tue Feb 20 2001 - 14:18:45 PST)
One article
Zhiyong Zhang
(Tue Feb 13 2001 - 03:46:42 PST)
DMSO ?
Yuguang Mu
(Tue Feb 13 2001 - 08:22:42 PST)
(no subject)
Christian Pilger
(Tue Feb 13 2001 - 11:33:31 PST)
(no subject)
Lynn Amon
(Tue Feb 13 2001 - 11:39:20 PST)
generating parameters for a small molecule ligand
Jake Isaacs
(Tue Feb 13 2001 - 08:48:03 PST)
Re: generating parameters for a small molecule ligand
Simon Cross
(Wed Feb 14 2001 - 04:40:15 PST)
Minor correction (I think) on RESP input
Fred P. Arnold
(Tue Feb 13 2001 - 09:23:22 PST)
Belly Atonms
Mark Markson
(Tue Feb 13 2001 - 12:52:53 PST)
Dual Origin vs dual Alfa
Anton Guliaev
(Tue Feb 13 2001 - 16:06:37 PST)
Re: Dual Origin vs dual Alfa
Nathalie Godbout
(Wed Feb 14 2001 - 08:18:23 PST)
Athlon 1GHz (was: Dual Origin vs dual Alfa)
Tru Huynh
(Wed Feb 14 2001 - 09:29:53 PST)
Re: Athlon 1GHz (was: Dual Origin vs dual Alfa)
R. M. Fesinmeyer
(Wed Feb 14 2001 - 11:02:11 PST)
Re: Athlon 1GHz (was: Dual Origin vs dual Alfa)
Nathalie Godbout
(Wed Feb 14 2001 - 12:00:25 PST)
Re: Athlon 1GHz (was: Dual Origin vs dual Alfa)
R. M. Fesinmeyer
(Wed Feb 14 2001 - 12:16:51 PST)
REMD
Michal Otyepka
(Wed Feb 14 2001 - 11:30:06 PST)
(no subject)
Yinghong Sheng
(Wed Feb 14 2001 - 09:45:43 PST)
(no subject)
robert
(Tue Feb 13 2001 - 16:35:21 PST)
Re: LES analysis
Carlos Simmerling
(Tue Feb 13 2001 - 10:39:47 PST)
dynamic memory allocation
Bill Ross
(Tue Feb 13 2001 - 11:30:28 PST)
Re: dynamic memory allocation
Chuck Schneider
(Wed Feb 14 2001 - 08:20:02 PST)
Re: dynamic memory allocation
Christian Pilger
(Wed Feb 14 2001 - 08:24:47 PST)
Implicit solvent MD with small RNA's
Andreas Svrcek-Seiler
(Wed Feb 14 2001 - 08:52:56 PST)
Re: dynamic memory allocation
Bill Ross
(Wed Feb 14 2001 - 10:21:22 PST)
trajectory-problem
Christian Pilger
(Wed Feb 14 2001 - 17:14:25 PST)
Re: trajectory-problem
Miyashita, Osamu
(Thu Feb 15 2001 - 09:14:02 PST)
disk file larger than 2 GB
Yuguang Mu
(Wed Feb 14 2001 - 23:12:47 PST)
Re: disk file larger than 2 GB
Mite51_at_hotmail.com
(Wed Feb 14 2001 - 23:59:25 PST)
Amber Parameters
Antonio Entrena Guadix
(Wed Feb 14 2001 - 03:04:54 PST)
Re: Amber Parameters
Christian Pilger
(Wed Feb 14 2001 - 05:05:55 PST)
how to handle a metal ion
Jake Isaacs
(Wed Feb 14 2001 - 07:43:14 PST)
Re: how to handle a metal ion
Mark Forster
(Thu Feb 15 2001 - 02:11:24 PST)
RE: periodic box size
Guanglei Cui
(Fri Feb 16 2001 - 10:30:27 PST)
Re: periodic box size
Jake Isaacs
(Fri Feb 16 2001 - 10:54:25 PST)
RE: periodic box size
Guanglei Cui
(Fri Feb 16 2001 - 11:48:50 PST)
Re: periodic box size
Bill Ross
(Fri Feb 16 2001 - 12:35:36 PST)
Re: periodic box size
Michael Crowley
(Sun Feb 18 2001 - 22:48:05 PST)
Compilation of Amber6 in linux machine
A.Madhumalar
(Sun Feb 18 2001 - 00:08:48 PST)
RE: Compilation of Amber6 in linux machine
Thomas A. Spraggins
(Sun Feb 18 2001 - 11:06:14 PST)
Re: Compilation of Amber6 in linux machine
David Konerding
(Mon Feb 19 2001 - 07:46:55 PST)
GB protein simulation
Guanglei Cui
(Mon Feb 19 2001 - 08:58:23 PST)
Nucleic acid notation within Toolchest
Rebecca Ann Perlow
(Mon Feb 19 2001 - 13:59:59 PST)
AMBER on SUN
Craig Marhefka
(Tue Feb 20 2001 - 06:43:33 PST)
RE: AMBER on SUN
Yong Duan
(Tue Feb 20 2001 - 10:29:41 PST)
RE: AMBER on SUN
Bill Ross
(Tue Feb 20 2001 - 11:17:50 PST)
Roar
Yanni Wang
(Wed Feb 21 2001 - 01:34:47 PST)
Re: belly run
Bill Ross
(Wed Feb 21 2001 - 10:37:03 PST)
running Amber on dual processor machine
HAllawi_at_TWT.com
(Wed Feb 21 2001 - 11:24:07 PST)
(no subject)
Michal Otyepka
(Wed Feb 21 2001 - 12:23:01 PST)
Re: your mail
Krzysztof Murzyn
(Thu Feb 22 2001 - 02:45:36 PST)
modified aminoacids using Leap
Giulio Rastelli
(Thu Feb 22 2001 - 03:14:00 PST)
Fe4S4 cluster
Agnes Hahn
(Thu Feb 22 2001 - 08:06:09 PST)
Re: modified aminoacids using Leap
Bill Ross
(Thu Feb 22 2001 - 09:03:16 PST)
shake comparison
Xiaoliang Qian
(Fri Feb 23 2001 - 09:13:07 PST)
Can't run sander_classic with parallel machine
Khatcharin Siriwong
(Fri Feb 23 2001 - 09:31:16 PST)
Re: Can't run sander_classic with parallel machine
Miyashita, Osamu
(Fri Feb 23 2001 - 09:58:47 PST)
consult
ZHANG RB
(Sun Feb 25 2001 - 03:50:11 PST)
consult
ZHANG RB
(Sun Feb 25 2001 - 03:50:47 PST)
parm94.dat vs parm99.dat
Andreas Svrcek-Seiler
(Mon Feb 26 2001 - 00:24:00 PST)
leap and SP2 nitrogen
Mark Forster
(Mon Feb 26 2001 - 04:07:27 PST)
Re: leap and SP2 nitrogen
Andrew Gordon Purkiss
(Mon Feb 26 2001 - 05:07:26 PST)
QM/MM in roar
Yanni Wang
(Mon Feb 26 2001 - 10:04:03 PST)
params - ADP, neutral ARG
Heather A.Carlson
(Mon Feb 26 2001 - 10:58:17 PST)
db4 with amber5.0
Daniel GENEST
(Fri Feb 23 2001 - 09:44:56 PST)
RE: Linux 6.2 install problems
Ross Walker
(Mon Feb 26 2001 - 13:39:02 PST)
Re: Linux 6.2 install problems
Bill Ross
(Mon Feb 26 2001 - 14:01:24 PST)
Re: Linux 6.2 install problems
David Konerding
(Mon Feb 26 2001 - 15:32:07 PST)
MD without SHAKE
Dayle Smith
(Mon Feb 26 2001 - 17:06:33 PST)
Re: MD without SHAKE
Bill Ross
(Mon Feb 26 2001 - 17:51:25 PST)
Re: MD without SHAKE
jim caldwell
(Tue Feb 27 2001 - 07:04:25 PST)
Re: MD without SHAKE
Bill Ross
(Tue Feb 27 2001 - 08:40:48 PST)
Re: MD without SHAKE
Troy Wymore
(Wed Feb 28 2001 - 10:59:51 PST)
Re: MD without SHAKE
Bill Ross
(Wed Feb 28 2001 - 11:25:50 PST)
porphyrin parameters
Kristin Maher
(Mon Feb 26 2001 - 22:28:43 PST)
LEAP and crystal waters
Michal Otyepka
(Mon Feb 26 2001 - 23:35:42 PST)
Re: porphyrin parameters
Bill Ross
(Tue Feb 27 2001 - 00:50:34 PST)
Gibbs input
Kiyean Nam
(Tue Feb 27 2001 - 20:24:44 PST)
8-Oxo-G
Eva Darian
(Wed Feb 28 2001 - 10:00:18 PST)
Re: Sander parallel compilation
David Case
(Wed Feb 28 2001 - 10:27:40 PST)
Re: Sander parallel compilation
David Case
(Wed Feb 28 2001 - 10:46:04 PST)
PBC box problems
Michael Ford
(Wed Feb 28 2001 - 14:34:36 PST)
Re: PBC box problems
Bill Ross
(Wed Feb 28 2001 - 15:50:16 PST)
Fluorescent dyes
Troy Bothwell
(Wed Feb 28 2001 - 20:01:47 PST)
Last message date
:
Wed Feb 28 2001 - 20:01:47 PST
Archived on
: Wed Mar 10 2010 - 05:58:51 PST
142 messages
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