Amber Archive Mar 2001 by thread
184 messages
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Starting
Wed Feb 28 2001 - 22:09:16 PST,
Ending
Sat Mar 31 2001 - 07:07:39 PST
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Parm98 for amino acids?
Sanjeev B.S.
(Wed Feb 28 2001 - 22:09:16 PST)
GIBBS
Andrea Bernini
(Thu Mar 01 2001 - 03:20:07 PST)
about prep input
Zhangxd
(Thu Mar 01 2001 - 05:40:23 PST)
Dummy Atoms
Matthew Davies
(Thu Mar 01 2001 - 05:58:14 PST)
Re: AMBER
Pascal Bonnet
(Thu Mar 01 2001 - 12:09:00 PST)
Re: AMBER
jim caldwell
(Thu Mar 01 2001 - 08:42:03 PST)
Pentium IV compiler in MD
Jose Ramon Blas
(Thu Mar 01 2001 - 13:11:08 PST)
PROFEC
Anna Ferrari
(Fri Mar 02 2001 - 02:57:28 PST)
imaging in amber6
Riccardo Nifosi
(Fri Mar 02 2001 - 07:52:15 PST)
Re: imaging in amber6
David Case
(Fri Mar 02 2001 - 09:05:39 PST)
compilation problems
Christian Pilger
(Sun Mar 04 2001 - 07:03:34 PST)
Re: compilation problems
Chuck Schneider
(Mon Mar 05 2001 - 05:20:18 PST)
Interface
Svetlana Nolde
(Mon Mar 05 2001 - 06:59:02 PST)
leap adding terminal phosphates
Michael Cooney
(Mon Mar 05 2001 - 10:20:00 PST)
re: leap adding terminal phosphates
Bill Ross
(Mon Mar 05 2001 - 12:27:27 PST)
Pentium 4
Robert Matthew Fesinmeyer
(Mon Mar 05 2001 - 11:01:26 PST)
Re: Pentium 4
David Konerding
(Mon Mar 05 2001 - 11:57:04 PST)
RE: Pentium 4
Heirich, Alan
(Mon Mar 05 2001 - 12:47:08 PST)
recommended vs. default values
Jake Isaacs
(Mon Mar 05 2001 - 13:22:43 PST)
Amber Website - UK Mirror
Ross Walker
(Tue Mar 06 2001 - 02:47:28 PST)
(no subject)
Yongxing Liu
(Tue Mar 06 2001 - 09:42:54 PST)
Q about RESP
Ramon Garduno
(Mon Mar 05 2001 - 11:35:47 PST)
curves
Troy Bothwell
(Sun Mar 04 2001 - 15:27:05 PST)
RE: curves
Wing Lok Abe Kurtz
(Sun Mar 04 2001 - 16:46:54 PST)
anal ouput
Francois Dupradeau
(Mon Mar 05 2001 - 00:40:14 PST)
Re: lipid bilayer MD simulations
Bill Ross
(Tue Mar 06 2001 - 11:06:44 PST)
Re: lipid bilayer MD simulations
Bill Ross
(Tue Mar 06 2001 - 11:48:02 PST)
Re: SHAKE
David Case
(Thu Mar 08 2001 - 09:28:28 PST)
Re: SHAKE
Michael Cooney
(Thu Mar 08 2001 - 09:39:51 PST)
sander VS sander_classic
Khatcharin Siriwong
(Thu Mar 08 2001 - 10:18:44 PST)
Re: sander VS sander_classic
David Case
(Thu Mar 08 2001 - 10:53:51 PST)
Re: sander VS sander_classic
Jarrod Smith
(Thu Mar 08 2001 - 11:03:59 PST)
Re: SHAKE
Bill Ross
(Thu Mar 08 2001 - 11:22:13 PST)
Re: using "radial" in PTRAJ
Pascal Bonnet
(Fri Mar 09 2001 - 09:26:17 PST)
Principal component analysis
Andreas Svrcek-Seiler
(Fri Mar 09 2001 - 11:11:21 PST)
variable NTWXM in Sander
Michael Cooney
(Fri Mar 09 2001 - 14:54:23 PST)
Again Gibbs...
yu kaneko
(Sat Mar 10 2001 - 00:12:10 PST)
Generating C-DNA using nucgen!
A.Madhumalar
(Sun Mar 11 2001 - 00:31:16 PST)
MM-PBSA
Eoin Galligan
(Mon Mar 12 2001 - 07:34:20 PST)
AMBER6 on IBMSP3
Sanjeev B.S.
(Tue Mar 13 2001 - 03:59:55 PST)
Re: AMBER6 on IBMSP3
David Skinner
(Tue Mar 13 2001 - 08:18:19 PST)
Re: AMBER6 on IBMSP3
Sanjeev B.S.
(Fri Mar 16 2001 - 10:03:22 PST)
carnal problem
Joseph Nachman
(Fri Mar 16 2001 - 11:58:45 PST)
AMBER6 on IBMSP3 Installation
Sanjeev B.S.
(Tue Mar 20 2001 - 06:07:05 PST)
RE: AMBER6 on IBMSP3 Installation
Thomas A. Spraggins
(Tue Mar 20 2001 - 05:09:27 PST)
RE: AMBER6 on IBMSP3 Installation
Sanjeev B.S.
(Tue Mar 20 2001 - 11:53:07 PST)
RE: AMBER6 on IBMSP3 Installation
Thomas Cheatham
(Tue Mar 20 2001 - 10:45:40 PST)
amber6 compilation failure (fwd)
Jamal G. Musaev
(Tue Mar 20 2001 - 12:29:55 PST)
Re: amber6 compilation failure (fwd)
David Skinner
(Tue Mar 20 2001 - 13:09:49 PST)
PME with octahedral box
Ann Hermone
(Tue Mar 20 2001 - 10:01:05 PST)
Re: PME with octahedral box
David Konerding
(Tue Mar 20 2001 - 10:43:11 PST)
ptraj image for octahedral box
Peter Varnai
(Tue Mar 13 2001 - 07:47:28 PST)
Re: ptraj image for octahedral box
Pascal Bonnet
(Tue Mar 13 2001 - 17:28:47 PST)
ATP+Mg, P-tyrosine a P-threonine
Michal Otyepka
(Wed Mar 14 2001 - 02:35:53 PST)
How to calculate energy from mdcrd output file
Khatcharin Siriwong
(Wed Mar 14 2001 - 06:23:47 PST)
Re: why the slowdown?
Bill Ross
(Wed Mar 14 2001 - 13:34:10 PST)
Re: Selection
Bill Ross
(Wed Mar 14 2001 - 14:11:32 PST)
ptraj resolved; irest=1?
Peter Varnai
(Thu Mar 15 2001 - 07:29:54 PST)
RE: ptraj resolved; irest=1?
Guanglei Cui
(Thu Mar 15 2001 - 08:08:01 PST)
Re: PBC box problems
Michael Ford
(Tue Mar 20 2001 - 10:10:17 PST)
LEAP
kiyean.nam_at_pharma.Novartis.com
(Thu Mar 15 2001 - 15:01:43 PST)
(no subject)
chomsri upkaew
(Fri Mar 16 2001 - 01:36:38 PST)
(no subject)
David Konerding
(Fri Mar 16 2001 - 09:28:06 PST)
Can't compile sander witk parallel on Linux cluster
chomsri upkaew
(Fri Mar 16 2001 - 03:54:27 PST)
Re: Can't compile sander witk parallel on Linux cluster
Tru Huynh
(Fri Mar 16 2001 - 04:14:14 PST)
RE: Can't compile sander witk parallel on Linux cluster
Ross Walker
(Fri Mar 16 2001 - 04:54:07 PST)
summary: lipid bilayer MD simulations
Xavier Deupi
(Fri Mar 16 2001 - 04:01:46 PST)
RE: Can't compile Sander with parallel on Linux cluster
Ross Walker
(Fri Mar 16 2001 - 07:05:49 PST)
RE: Can't compile Sander with parallel on Linux cluster
Thomas A. Spraggins
(Fri Mar 16 2001 - 09:37:24 PST)
Re: Can't compile Sander with parallel on Linux cluster
David Konerding
(Fri Mar 16 2001 - 09:54:10 PST)
Re: carnal problem
Bill Ross
(Fri Mar 16 2001 - 14:09:56 PST)
DNA out of a box
Xiaolin Chuang
(Sat Mar 17 2001 - 05:08:56 PST)
Re: DNA out of a box
Michael Cooney
(Wed Mar 21 2001 - 09:43:18 PST)
SP3 name list
Sanjeev B.S.
(Wed Mar 21 2001 - 11:10:13 PST)
Correction: SP3 name list
Sanjeev B.S.
(Wed Mar 21 2001 - 22:47:53 PST)
Amber 6.0 Benchmarks
Florian Barth
(Thu Mar 22 2001 - 02:54:18 PST)
Re: Amber 6.0 Benchmarks
Tru Huynh
(Thu Mar 22 2001 - 05:26:10 PST)
(no subject)
txyang
(Thu Mar 22 2001 - 04:54:18 PST)
Re: SP3 name list
David Case
(Thu Mar 22 2001 - 07:43:37 PST)
(no subject)
Bill Ross
(Thu Mar 22 2001 - 09:44:16 PST)
GIBBS error
kiyean.nam_at_pharma.Novartis.com
(Wed Mar 21 2001 - 14:02:35 PST)
[charmm-bbs] Post-doctoral position available
Chris Chipot
(Sat Mar 17 2001 - 10:21:59 PST)
Post-doctoral position available
Chris Chipot
(Sat Mar 17 2001 - 10:21:59 PST)
Problem of running sander on Linux cluster
chomsri upkaew
(Mon Mar 19 2001 - 07:24:59 PST)
Re: Problem of running sander on Linux cluster
David Konerding
(Mon Mar 19 2001 - 08:22:31 PST)
RE: Problem of running sander on Linux cluster
Thomas A. Spraggins
(Mon Mar 19 2001 - 08:23:12 PST)
Re: Problem of running sander on Linux cluster
Carlos Simmerling
(Mon Mar 19 2001 - 09:03:02 PST)
RE: Problem of running sander on Linux cluster
Thomas A. Spraggins
(Mon Mar 19 2001 - 10:54:49 PST)
(no subject)
Yongxing Liu
(Mon Mar 19 2001 - 10:58:49 PST)
PME with octahedral box
Ann Hermone
(Mon Mar 19 2001 - 13:31:16 PST)
Test Group - swarm.ca
Mite51_at_hotmail.com
(Mon Mar 19 2001 - 14:56:09 PST)
Re: amber6 compilation failure (fwd)
Bill Ross
(Tue Mar 20 2001 - 13:40:51 PST)
Question about installing AMBER
jllo
(Tue Mar 20 2001 - 19:46:40 PST)
Re: Question about installing AMBER
Andreas Svrcek-Seiler
(Wed Mar 21 2001 - 02:31:22 PST)
error in sander
rathinavelan thenmalarchelvi
(Wed Mar 21 2001 - 04:12:23 PST)
Re: GIBBS error
Bill Ross
(Wed Mar 21 2001 - 16:07:56 PST)
GIBSS pertType
yu kaneko
(Thu Mar 22 2001 - 04:58:28 PST)
Re: Correction: SP3 name list
Michael Crowley
(Thu Mar 22 2001 - 09:46:21 PST)
Re: Correction: SP3 name list
Michael Crowley
(Thu Mar 22 2001 - 09:49:43 PST)
parallel load difference under linux (long)
Tru Huynh
(Thu Mar 22 2001 - 12:01:47 PST)
Re: parallel load difference under linux (long)
David Konerding
(Thu Mar 22 2001 - 12:58:23 PST)
RE: parallel load difference under linux (long)
Yong Duan
(Thu Mar 22 2001 - 14:51:05 PST)
Re: parallel load difference under linux (long)
Michael Crowley
(Thu Mar 22 2001 - 13:31:08 PST)
Re: parallel load difference under linux (long)
Tru Huynh
(Fri Mar 23 2001 - 03:43:28 PST)
Re: your mail
David Case
(Thu Mar 22 2001 - 14:11:32 PST)
Re: your mail
Jarrod Smith
(Thu Mar 22 2001 - 14:38:16 PST)
Re: your mail
Nathalie Godbout
(Fri Mar 23 2001 - 09:27:19 PST)
Re: SGI_MP (was "your mail")
Jarrod Smith
(Fri Mar 23 2001 - 10:27:09 PST)
Re: SGI_MP (was "your mail")
Nathalie Godbout
(Fri Mar 23 2001 - 11:54:14 PST)
Question about prep file
Troy Bothwell
(Fri Mar 23 2001 - 16:39:42 PST)
SP3 MACHINE file
Sanjeev B.S.
(Sat Mar 24 2001 - 04:59:50 PST)
SP3 benchmark
Sanjeev B.S.
(Mon Mar 26 2001 - 02:44:26 PST)
How tleap does not add missing H atoms?
Xiaolin Chuang
(Mon Mar 26 2001 - 08:07:19 PST)
Re: How tleap does not add missing H atoms?
Jarrod Smith
(Mon Mar 26 2001 - 10:47:50 PST)
Re: How tleap does not add missing H atoms?
Bill Ross
(Mon Mar 26 2001 - 12:10:08 PST)
Machine_g77_lam-mpi
Andrew Petersen
(Mon Mar 26 2001 - 13:33:27 PST)
Re: Machine_g77_lam-mpi
Tru Huynh
(Tue Mar 27 2001 - 01:39:53 PST)
Xleap
Jean-François Gibrat
(Tue Mar 27 2001 - 01:19:01 PST)
Re: Xleap
Khatcharin Siriwong
(Tue Mar 27 2001 - 01:42:34 PST)
Re: Xleap
Jean-François Gibrat
(Tue Mar 27 2001 - 01:55:16 PST)
RE: Xleap
Ross Walker
(Tue Mar 27 2001 - 02:12:09 PST)
PMF-input file
c724128
(Tue Mar 27 2001 - 03:40:03 PST)
PMF input file
c724128
(Tue Mar 27 2001 - 03:48:11 PST)
Combining trajectories
Troy Bothwell
(Tue Mar 27 2001 - 08:45:54 PST)
Re: Combining trajectories
Peter Varnai
(Wed Mar 28 2001 - 00:56:58 PST)
Re: Combining trajectories
David Konerding
(Wed Mar 28 2001 - 08:10:30 PST)
loading prmtop and inpcrd into leap
Jake Isaacs
(Wed Mar 28 2001 - 08:13:06 PST)
Re: Combining trajectories
Bill Ross
(Wed Mar 28 2001 - 09:35:54 PST)
Re: How tleap does not add missing H atoms?
Bill Ross
(Mon Mar 26 2001 - 09:54:34 PST)
periodic box size
Jake Isaacs
(Mon Mar 26 2001 - 10:40:49 PST)
Re: periodic box size
Bill Ross
(Mon Mar 26 2001 - 12:06:08 PST)
Re: Combining trajectories
Bill Ross
(Tue Mar 27 2001 - 08:53:58 PST)
nstlim in sander
Michael Cooney
(Tue Mar 27 2001 - 10:12:08 PST)
PMF input file
c724128
(Tue Mar 27 2001 - 11:14:18 PST)
Re: PMF input file
Bill Ross
(Tue Mar 27 2001 - 11:18:18 PST)
Compilation of LEaP on SP3
Sanjeev B.S.
(Wed Mar 28 2001 - 00:02:02 PST)
Resp
Yanni Wang
(Wed Mar 28 2001 - 05:24:04 PST)
Re: Resp
Elsa Sousa Henriques
(Wed Mar 28 2001 - 17:25:53 PST)
LEaP compilation
Sanjeev B.S.
(Wed Mar 28 2001 - 22:00:27 PST)
How to remove CIO from prmtop & crd
Jithesh P.V
(Thu Mar 29 2001 - 01:21:25 PST)
Average structure
Khatcharin Siriwong
(Thu Mar 29 2001 - 07:07:11 PST)
RE: Average structure
Guanglei Cui
(Thu Mar 29 2001 - 07:42:38 PST)
Re: Average structure
Laurent Chiche
(Thu Mar 29 2001 - 08:01:32 PST)
Re: Average structure
David Konerding
(Thu Mar 29 2001 - 08:27:08 PST)
Re: Average structure
Carlos Simmerling
(Thu Mar 29 2001 - 09:55:55 PST)
RE: Average structure
Yongxing Liu
(Thu Mar 29 2001 - 11:51:05 PST)
parameters for NADH
marin
(Thu Mar 29 2001 - 13:28:25 PST)
problem with Leap
xin hu
(Fri Mar 30 2001 - 05:08:41 PST)
how to get dials_and_windows
thenmalar rathinavelan
(Fri Mar 30 2001 - 00:23:41 PST)
Membrane
Yanni Wang
(Fri Mar 30 2001 - 00:31:34 PST)
helix analyse
Yuguang Mu
(Fri Mar 30 2001 - 09:20:21 PST)
Ca2+ parameters and how ? ...
A. Ababou
(Sat Mar 31 2001 - 07:07:39 PST)
Missing "ASH" parameters
Jake Isaacs
(Thu Mar 29 2001 - 10:09:01 PST)
Re: loading prmtop and inpcrd into leap
Bill Ross
(Wed Mar 28 2001 - 10:37:38 PST)
parm warnings
Troy Bothwell
(Wed Mar 28 2001 - 10:48:50 PST)
Minimization and NSNB
Lillian Chong
(Wed Mar 28 2001 - 10:59:15 PST)
Re: parm warnings
Bill Ross
(Wed Mar 28 2001 - 11:58:17 PST)
[charmm-bbs] Post-doctoral position available
Heather A.Carlson
(Wed Mar 28 2001 - 14:51:37 PST)
Post-doctoral position available
Heather A.Carlson
(Wed Mar 28 2001 - 14:51:37 PST)
[charmm-bbs] Post-doctoral Position
Ronald Kuehne
(Wed Mar 28 2001 - 16:51:26 PST)
Post-doctoral Position
Ronald Kuehne
(Wed Mar 28 2001 - 16:51:26 PST)
Re: LEaP adding an extra hydrogen to N-terminus
Jake Isaacs
(Thu Mar 29 2001 - 07:31:04 PST)
RE: LEaP adding an extra hydrogen to N-terminus
Guanglei Cui
(Thu Mar 29 2001 - 07:48:05 PST)
Last message date
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Sat Mar 31 2001 - 07:07:39 PST
Archived on
: Fri Dec 20 2024 - 05:53:17 PST
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