Amber Archive Sep 2000 by thread
91 messages
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Starting
Fri Sep 01 2000 - 03:34:47 PDT,
Ending
Sat Sep 30 2000 - 18:07:53 PDT
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question about 2DRMSd made by rdparm.
Margaret Cheung
(Fri Sep 01 2000 - 03:34:47 PDT)
Re: Brief courses on AMBER 6
Jarrod Smith
(Fri Sep 01 2000 - 10:12:42 PDT)
Can I create a prmtop file without unwanted H atoms?
Margaret Cheung
(Fri Sep 01 2000 - 17:48:20 PDT)
NATOMS > 99999 for sander 6.0
Todd J. Minehardt
(Mon Sep 04 2000 - 07:25:27 PDT)
last message continued
Todd J. Minehardt
(Mon Sep 04 2000 - 07:27:52 PDT)
NATOMS > 99999
David Konerding
(Mon Sep 04 2000 - 09:03:55 PDT)
Gibbs / Torcon problem
Terreux Raphael
(Mon Sep 04 2000 - 10:53:58 PDT)
ambpdb input format
Garrett W Grahek
(Mon Sep 04 2000 - 13:58:29 PDT)
Leap problems with Zn, DNA
Michael Cooney
(Tue Sep 05 2000 - 14:59:54 PDT)
sander_pme.MC examples
leila ayadi
(Wed Sep 06 2000 - 07:13:05 PDT)
RAdius of Gyration
Dat H. Nguyen
(Wed Sep 06 2000 - 13:05:50 PDT)
..and also getcor.f....
Todd J. Minehardt
(Mon Sep 04 2000 - 07:42:52 PDT)
DFT parital charges
Riccardo Nifosi
(Mon Sep 04 2000 - 07:47:24 PDT)
Re: RAdius of Gyration
Bill Ross
(Wed Sep 06 2000 - 15:11:16 PDT)
Calcium bonds
schayg_at_puskin-a206.sote.hu
(Thu Sep 07 2000 - 04:24:10 PDT)
Amber6 environment error
kian kani
(Thu Sep 07 2000 - 10:24:57 PDT)
Re: Amber6 environment error
Thomas A. Spraggins
(Thu Sep 07 2000 - 11:24:07 PDT)
Re: Amber6 environment error
schayg_at_puskin-a206.sote.hu
(Thu Sep 07 2000 - 13:44:11 PDT)
partial solvation
EOIN GALLIGAN
(Thu Sep 07 2000 - 07:53:10 PDT)
partial solvation
EOIN GALLIGAN
(Fri Sep 08 2000 - 03:56:30 PDT)
radius of gyration
Peter Gannett
(Mon Sep 11 2000 - 10:24:10 PDT)
Re: Calcium bonds
Bill Ross
(Thu Sep 07 2000 - 11:50:47 PDT)
Re: radius of gyration
Bill Ross
(Mon Sep 11 2000 - 12:41:00 PDT)
NAMOT
J. Bryan Buckalew
(Mon Sep 11 2000 - 13:18:49 PDT)
Machine file for SV1
Matthew Lee
(Mon Sep 11 2000 - 14:23:52 PDT)
Adding divalent metal ions to libraries
Michael Cooney
(Tue Sep 12 2000 - 14:31:06 PDT)
Ewald bomb ?
Terreux Raphael
(Tue Sep 12 2000 - 15:51:01 PDT)
compiling problems
Paolo Dapporto
(Wed Sep 13 2000 - 01:01:04 PDT)
Re: compiling problems
Todd J. Minehardt
(Wed Sep 13 2000 - 08:02:24 PDT)
compile on ibm
Todd J. Minehardt
(Wed Sep 13 2000 - 08:23:55 PDT)
IBM SP
Matthew Lee
(Wed Sep 13 2000 - 10:27:32 PDT)
GB/SA question
Andreas Svrcek-Seiler
(Wed Sep 13 2000 - 07:47:11 PDT)
EWALD parameter range problem
schayg_at_puskin-a206.sote.hu
(Wed Sep 13 2000 - 11:48:24 PDT)
Re: EWALD parameter range problem
darden
(Wed Sep 13 2000 - 15:29:16 PDT)
NMODE
Tuomo Laitinen
(Wed Sep 13 2000 - 23:36:43 PDT)
Re: NMODE
Todd J. Minehardt
(Thu Sep 14 2000 - 07:13:49 PDT)
VRAND
Craig Marhefka
(Thu Sep 14 2000 - 06:48:49 PDT)
Re: problem with leap
Bill Ross
(Thu Sep 14 2000 - 10:52:17 PDT)
problem with leap
Prem Raj Joseph
(Thu Sep 14 2000 - 22:31:57 PDT)
RE:pdb_MD
Krishna Bisetty
(Fri Sep 15 2000 - 05:18:53 PDT)
delphi
Pascal Bonnet
(Fri Sep 15 2000 - 06:29:43 PDT)
ANAL
J. Bryan Buckalew
(Fri Sep 15 2000 - 07:48:08 PDT)
C=C
gail louise dempsey
(Fri Sep 15 2000 - 09:25:34 PDT)
Call for Papers - ACS Symposium: "Artificial Intelligence in Computational Chemistry"
Curt M. Breneman
(Fri Sep 15 2000 - 10:23:31 PDT)
edit.out
David Small
(Fri Sep 15 2000 - 13:19:07 PDT)
Amber6/Compaq
jim caldwell
(Fri Sep 15 2000 - 14:27:16 PDT)
Re: Can amber6.0 do the implicit sovation model?
Vickie Tsui
(Sun Sep 17 2000 - 23:36:35 PDT)
erfcfun.c for Alpha
Yasuyuki Fujii
(Tue Sep 19 2000 - 22:55:10 PDT)
Re: erfcfun.c for Alpha
Chuck Schneider
(Wed Sep 20 2000 - 04:46:43 PDT)
GB source code question
samantha hughes
(Wed Sep 20 2000 - 07:12:03 PDT)
Loading CRD or RST files into Leap
Michael Cooney
(Wed Sep 20 2000 - 08:55:17 PDT)
RE: Loading CRD or RST files into Leap
Halima Amer
(Wed Sep 20 2000 - 09:57:47 PDT)
Re: Loading CRD or RST files into Leap
Bill Ross
(Wed Sep 20 2000 - 12:39:11 PDT)
To Cray t3e users
Grzegorz Jezierski
(Thu Sep 21 2000 - 03:21:08 PDT)
interaction energy
Christopher Higgs
(Thu Sep 21 2000 - 03:42:00 PDT)
Re: interaction energy
Michal Otyepka
(Thu Sep 21 2000 - 07:02:16 PDT)
about constraints
Hyuk Soon Choi
(Thu Sep 21 2000 - 07:22:08 PDT)
Re: interaction energy
Bill Ross
(Thu Sep 21 2000 - 08:23:00 PDT)
Re: Too many atoms
Bill Ross
(Sat Sep 23 2000 - 12:55:06 PDT)
AMBER data file for program DOT
Jürgen J. Müller
(Mon Sep 25 2000 - 10:12:56 PDT)
TIP3P water in Amber6
Michael Cooney
(Mon Sep 25 2000 - 10:47:19 PDT)
Re: TIP3P water in Amber6
Bill Ross
(Mon Sep 25 2000 - 12:00:25 PDT)
vdW parameter for S atom
Francois Dupradeau
(Mon Sep 25 2000 - 17:07:06 PDT)
AMBER data file for program DOT
Jürgen J. Müller
(Mon Sep 25 2000 - 22:26:27 PDT)
REPEATED LINMIN FAILURE
Mao Xiang
(Tue Sep 26 2000 - 03:12:57 PDT)
Re: excluded atoms in prmtop files
Bill Ross
(Wed Sep 27 2000 - 09:06:57 PDT)
Re: leap problem about periodic boundary box
Bill Ross
(Wed Sep 27 2000 - 20:54:04 PDT)
nmode out of memory
schayg_at_puskin-a206.sote.hu
(Thu Sep 28 2000 - 05:35:46 PDT)
Re: nmode out of memory
David Case
(Thu Sep 28 2000 - 08:09:53 PDT)
MPI gibbs
Jarrod Smith
(Thu Sep 28 2000 - 08:26:45 PDT)
movie file
Pascal Bonnet
(Fri Sep 29 2000 - 02:56:16 PDT)
Re: movie file
terreux_at_taloa.unice.fr
(Fri Sep 29 2000 - 12:24:26 PDT)
help with amber 41 on linux redhat 6.2
Margaret Cheung
(Sat Sep 30 2000 - 00:49:35 PDT)
Re: help with amber 41 on linux redhat 6.2
David Konerding
(Sat Sep 30 2000 - 18:07:53 PDT)
repeated linmin failures
Michael Cooney
(Fri Sep 29 2000 - 07:49:07 PDT)
(no subject)
Yanni Wang
(Fri Sep 29 2000 - 08:42:48 PDT)
Re: problem with Interface script
David Pearlman
(Fri Sep 29 2000 - 10:07:44 PDT)
Re: movie file
Bill Ross
(Fri Sep 29 2000 - 10:15:15 PDT)
HEllo!
Dat H. Nguyen
(Fri Sep 29 2000 - 11:49:54 PDT)
Re: HEllo!
Thomas E. Cheatham, III
(Sat Sep 30 2000 - 09:36:51 PDT)
Re: HEllo!
Bill Ross
(Fri Sep 29 2000 - 12:57:22 PDT)
perturbing charge
Marcela Madrid
(Fri Sep 29 2000 - 16:02:41 PDT)
Re: perturbing charge
Bill Ross
(Fri Sep 29 2000 - 16:55:00 PDT)
automatic/semi-automatic type assignments
Thomas C. Bishop
(Sat Sep 30 2000 - 14:37:29 PDT)
Last message date
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Sat Sep 30 2000 - 18:07:53 PDT
Archived on
: Sun Dec 01 2024 - 05:53:15 PST
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