Amber Archive Nov 2005 By Thread
309 messages
:
Starting
Tue Nov 01 2005 - 03:53:00 PST,
Ending
Fri Dec 02 2005 - 21:53:01 PST
This period
:
Most recent messages
sort by
: [
author
] [
date
] [
subject
] [
attachment
]
AMBER: mm_pbsa problem
emilia wu
(Mon Oct 31 2005 - 18:53:51 PST)
Re: AMBER: mm_pbsa problem
Cenk Andac
(Tue Nov 01 2005 - 00:15:23 PST)
Re: AMBER: mm_pbsa problem
Scott Pendley
(Tue Nov 01 2005 - 14:36:48 PST)
AMBER: About WHAM program
Atsutoshi Okabe
(Tue Nov 01 2005 - 19:29:14 PST)
Re: AMBER: About WHAM program
Guanglei Cui
(Wed Nov 02 2005 - 05:47:01 PST)
AMBER: fedora installation problem
Simon Whitehead
(Wed Nov 02 2005 - 08:11:26 PST)
RE: AMBER: fedora installation problem
Ross Walker
(Wed Nov 02 2005 - 08:50:03 PST)
RE: AMBER: fedora installation problem
Scott Brozell
(Wed Nov 02 2005 - 19:35:16 PST)
Re: AMBER: fedora installation problem
David A. Case
(Thu Nov 03 2005 - 10:50:42 PST)
Re: AMBER: fedora installation problem
caoch.cherry.bio.titech.ac.jp
(Thu Nov 03 2005 - 05:17:32 PST)
Re: AMBER: Improper Torsional Parameters
David A. Case
(Wed Nov 02 2005 - 08:47:34 PST)
Re: AMBER: Improper Torsional Parameters
Ilyas Yildirim
(Wed Nov 02 2005 - 10:00:50 PST)
RE: AMBER: Improper Torsional Parameters
Ross Walker
(Wed Nov 02 2005 - 20:06:28 PST)
Re: AMBER: Improper Torsional Parameters
David A. Case
(Thu Nov 03 2005 - 16:41:53 PST)
Re: AMBER: rounding in xleap when using saveoff command...
David A. Case
(Wed Nov 02 2005 - 08:50:41 PST)
Re: AMBER: rounding in xleap when using saveoff command...
Wei Zhang
(Wed Nov 02 2005 - 11:34:10 PST)
Re: AMBER: rounding in xleap when using saveoff command...
Ilyas Yildirim
(Wed Nov 02 2005 - 17:15:36 PST)
AMBER: ptraj distance mask
Peter Gannett
(Wed Nov 02 2005 - 09:04:48 PST)
Re: AMBER: ptraj distance mask
Thomas E. Cheatham, III
(Wed Nov 02 2005 - 09:32:09 PST)
AMBER: Leap error: Could not find atom type: CE
Vlad Cojocaru
(Wed Nov 02 2005 - 10:08:33 PST)
Re: AMBER: Leap error: Could not find atom type: CE
Ilyas Yildirim
(Wed Nov 02 2005 - 10:31:23 PST)
Re: AMBER: Leap error: Could not find atom type: CE
David A. Case
(Wed Nov 02 2005 - 10:57:59 PST)
AMBER: Density of Cyclohexane box
chaiann ng
(Wed Nov 02 2005 - 19:57:49 PST)
RE: AMBER: Density of Cyclohexane box
Ross Walker
(Wed Nov 02 2005 - 20:52:32 PST)
RE: AMBER: Density of Cyclohexane box
chaiann ng
(Thu Nov 03 2005 - 19:10:50 PST)
Re: AMBER: Density of Cyclohexane box
FyD
(Wed Nov 02 2005 - 23:47:41 PST)
AMBER: EEL and EAMBER values
Andrew Box
(Wed Nov 02 2005 - 20:19:14 PST)
RE: AMBER: EEL and EAMBER values
Ross Walker
(Wed Nov 02 2005 - 21:02:44 PST)
Re: AMBER: Metals with Amber
Marc Baaden
(Thu Nov 03 2005 - 04:33:34 PST)
AMBER: REM difficulties
Peter Varnai
(Thu Nov 03 2005 - 10:15:01 PST)
Re: AMBER: REM difficulties
Carlos Simmerling
(Thu Nov 03 2005 - 10:38:23 PST)
Re: AMBER: REM difficulties
Peter Varnai
(Thu Nov 03 2005 - 11:26:11 PST)
Re: AMBER: REM difficulties
Carlos Simmerling
(Thu Nov 03 2005 - 11:41:05 PST)
Re: AMBER: REM difficulties
David A. Case
(Thu Nov 03 2005 - 10:41:40 PST)
AMBER: Ask for helpf to get examples for MM-PBSA with AMBER8
Peng Tao
(Thu Nov 03 2005 - 11:45:39 PST)
Re: AMBER: Ask for helpf to get examples for MM-PBSA with AMBER8
Wei Chen
(Thu Nov 03 2005 - 12:07:25 PST)
Re: AMBER: Antechamber error
David A. Case
(Thu Nov 03 2005 - 15:06:35 PST)
AMBER: How to generate a RMSd-residue number graph using AMBER8 ptraj?
Jiapu.Zhang.csiro.au
(Thu Nov 03 2005 - 17:16:17 PST)
Re: AMBER: How to generate a RMSd-residue number graph using AMBER8 ptraj?
Carlos Simmerling
(Thu Nov 03 2005 - 17:31:39 PST)
AMBER: MM_PBSA problem
haixiao jin
(Thu Nov 03 2005 - 22:43:49 PST)
Re: AMBER: MM_PBSA problem
Magne Olufsen
(Thu Nov 03 2005 - 23:50:30 PST)
Re: AMBER: MM_PBSA problem
haixiao jin
(Fri Nov 04 2005 - 00:58:14 PST)
Re: AMBER: MM_PBSA problem
Scott Pendley
(Fri Nov 04 2005 - 10:18:17 PST)
Re: AMBER: MM_PBSA problem
haixiao jin
(Mon Nov 07 2005 - 00:59:27 PST)
AMBER: Leap task
Vlad Cojocaru
(Fri Nov 04 2005 - 03:44:39 PST)
AMBER: just one more try:) xleap, opteron, pgi and segmentation fault. (fwd)
Lars Packschies
(Fri Nov 04 2005 - 04:09:40 PST)
Re: AMBER: restart file and crd file
Heiko Meyer
(Fri Nov 04 2005 - 04:56:41 PST)
Re: AMBER: restart file and crd file
Heiko Meyer
(Fri Nov 04 2005 - 07:49:18 PST)
RE: AMBER: restart file and crd file
Ross Walker
(Fri Nov 04 2005 - 08:22:41 PST)
AMBER: PMEMD limitation on NFFT
Chng Choon-Peng
(Fri Nov 04 2005 - 16:38:38 PST)
Re: AMBER: PMEMD limitation on NFFT
Robert Duke
(Fri Nov 04 2005 - 19:29:17 PST)
Re: AMBER: PMEMD limitation on NFFT
Chng Choon-Peng
(Fri Nov 04 2005 - 19:44:58 PST)
AMBER: About WHAM program
Atsutoshi Okabe
(Sat Nov 05 2005 - 20:16:43 PST)
AMBER: bug report
Ye Mei
(Sat Nov 05 2005 - 22:21:50 PST)
Re: AMBER: bug report
David A. Case
(Mon Nov 07 2005 - 08:36:29 PST)
Re: Re: AMBER: bug report
Ye Mei
(Tue Nov 08 2005 - 17:30:35 PST)
AMBER: bugfix 49
Lihua Wang
(Sun Nov 06 2005 - 15:05:20 PST)
AMBER:
rluo.uci.edu
(Sun Nov 06 2005 - 16:42:30 PST)
AMBER: DNA simulations
Andrew Box
(Sun Nov 06 2005 - 21:15:15 PST)
AMBER: AMBER 8 compilation with lahey F95 !
Pradipta Bandyopadhyay
(Mon Nov 07 2005 - 02:13:57 PST)
Re: AMBER: AMBER 8 compilation with lahey F95 !
Amber admin
(Mon Nov 07 2005 - 11:08:03 PST)
AMBER: addition to the last mail (lahey F95) !
Pradipta Bandyopadhyay
(Mon Nov 07 2005 - 02:20:06 PST)
AMBER: XRED II error while initializing
tomjas.poczta.onet.pl
(Mon Nov 07 2005 - 04:17:12 PST)
Re: AMBER: XRED II error while initializing
FyD
(Mon Nov 07 2005 - 05:03:05 PST)
Re: AMBER: XRED II error while initializing
tomjas
(Tue Nov 08 2005 - 22:38:40 PST)
Re: AMBER: XRED II error while initializing
FyD
(Wed Nov 09 2005 - 00:06:58 PST)
AMBER: tRNA's modified bases in the Amber parameters database
Whitney Allen
(Mon Nov 07 2005 - 06:52:45 PST)
Re: AMBER: tRNA's modified bases in the Amber parameters database
David A. Case
(Mon Nov 07 2005 - 08:26:41 PST)
AMBER: Making movie from AMBER trajectory
Varsha Goyal
(Mon Nov 07 2005 - 08:03:01 PST)
Re: AMBER: Making movie from AMBER trajectory
Carlos Simmerling
(Mon Nov 07 2005 - 08:28:26 PST)
Re: AMBER: Making movie from AMBER trajectory
Varsha Goyal
(Mon Nov 07 2005 - 09:23:50 PST)
Re: AMBER: Making movie from AMBER trajectory
Carlos Simmerling
(Mon Nov 07 2005 - 09:45:27 PST)
Re: AMBER: Making movie from AMBER trajectory
Varsha Goyal
(Mon Nov 07 2005 - 10:13:09 PST)
Re: AMBER: Making movie from AMBER trajectory
Carlos Simmerling
(Mon Nov 07 2005 - 10:28:20 PST)
Re: AMBER: Making movie from AMBER trajectory
David Bevan
(Mon Nov 07 2005 - 10:50:19 PST)
Re: AMBER: Making movie from AMBER trajectory
Knut Langsetmo
(Mon Nov 07 2005 - 10:42:08 PST)
Re: AMBER: Making movie from AMBER trajectory
caoch.cherry.bio.titech.ac.jp
(Mon Nov 07 2005 - 18:09:16 PST)
Re: AMBER: Making movie from AMBER trajectory
Carlos Simmerling
(Tue Nov 08 2005 - 04:44:38 PST)
Re: AMBER: Making movie from AMBER trajectory
YoungJin Cho
(Tue Nov 08 2005 - 07:00:07 PST)
Re: AMBER: Making movie from AMBER trajectory
Mingfeng Yang
(Tue Nov 08 2005 - 08:01:52 PST)
Re: AMBER: Making movie from AMBER trajectory
David E. Konerding
(Tue Nov 08 2005 - 10:56:55 PST)
Re: AMBER: Making movie from AMBER trajectory
David E. Konerding
(Tue Nov 08 2005 - 15:01:13 PST)
Re: AMBER: Making movie from AMBER trajectory using UCSF Chimera
David E. Konerding
(Wed Nov 09 2005 - 08:21:29 PST)
RE: AMBER: Making movie from AMBER trajectory
Ross Walker
(Mon Nov 07 2005 - 08:55:48 PST)
RE: AMBER: Making movie from AMBER trajectory
Varsha Goyal
(Mon Nov 07 2005 - 09:25:41 PST)
AMBER: calculating time correlation functions with ptraj
John S Zintsmaster
(Mon Nov 07 2005 - 08:39:38 PST)
AMBER: Time Correlation Functions with Amber
John S Zintsmaster
(Tue Nov 08 2005 - 08:15:45 PST)
Re: AMBER: Time Correlation Functions with Amber
David A. Case
(Tue Nov 08 2005 - 08:25:50 PST)
Re: AMBER: Time Correlation Functions with Amber
John S Zintsmaster
(Tue Nov 08 2005 - 09:57:26 PST)
Re: AMBER: Time Correlation Functions with Amber
David A. Case
(Tue Nov 08 2005 - 10:43:55 PST)
Re: AMBER: Time Correlation Functions with Amber
John S. Zintsmaster
(Tue Nov 08 2005 - 11:56:54 PST)
Re: AMBER: tkbc2
David A. Case
(Tue Nov 08 2005 - 08:50:51 PST)
AMBER: mm_pbsa
Wei Chen
(Wed Nov 09 2005 - 11:51:01 PST)
Re: AMBER: mm_pbsa
Ray Luo
(Tue Nov 08 2005 - 21:26:52 PST)
Re: AMBER: mm_pbsa
Wei Chen
(Fri Nov 11 2005 - 09:21:32 PST)
Re: AMBER: mm_pbsa
Ray Luo
(Fri Nov 11 2005 - 15:57:04 PST)
Re: AMBER: mm_pbsa
Wei Chen
(Sat Nov 12 2005 - 20:45:14 PST)
Re: AMBER: mm_pbsa
Ray Luo
(Sat Nov 12 2005 - 00:09:13 PST)
Re: AMBER: mm_pbsa
Wei Chen
(Mon Nov 14 2005 - 14:06:44 PST)
Re: AMBER: mm_pbsa
Cenk Andac
(Thu Nov 10 2005 - 06:08:24 PST)
Re: AMBER: mm_pbsa
Wei Chen
(Fri Nov 11 2005 - 09:05:40 PST)
CORRENDUM: Re: AMBER: mm_pbsa
Cenk Andac
(Sat Nov 12 2005 - 00:31:27 PST)
AMBER: Resp install problem
Jianzhong Liu
(Wed Nov 09 2005 - 15:21:09 PST)
Re: AMBER: Resp install problem
David A. Case
(Wed Nov 09 2005 - 15:51:10 PST)
AMBER: Resp install problem, again
Jianzhong Liu
(Thu Nov 10 2005 - 08:03:24 PST)
Re: AMBER: Resp install problem, again
David A. Case
(Thu Nov 10 2005 - 09:39:49 PST)
Re: AMBER: Resp install problem, again
Jianzhong Liu
(Wed Nov 16 2005 - 10:14:51 PST)
Re: AMBER: Resp install problem, again
David A. Case
(Wed Nov 16 2005 - 10:43:13 PST)
Re: AMBER: Resp install problem, again
Jianzhong Liu
(Wed Nov 16 2005 - 10:55:06 PST)
Re: AMBER: Resp install problem, again
David A. Case
(Wed Nov 16 2005 - 13:53:27 PST)
Re: AMBER: Resp install problem, again
FyD
(Thu Nov 10 2005 - 13:49:21 PST)
AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list
Nitin Bhardwaj
(Wed Nov 09 2005 - 16:55:41 PST)
Re: AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list
Ilyas Yildirim
(Wed Nov 09 2005 - 19:56:24 PST)
Re: AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list
Nitin Bhardwaj
(Thu Nov 10 2005 - 08:40:21 PST)
Re: AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list
David A. Case
(Thu Nov 10 2005 - 09:00:12 PST)
Re: AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list
Nitin Bhardwaj
(Thu Nov 10 2005 - 09:13:33 PST)
Re: AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list
David A. Case
(Fri Nov 11 2005 - 18:58:21 PST)
Re: AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list
Ilyas Yildirim
(Thu Nov 10 2005 - 18:58:23 PST)
Re: AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list
Nitin Bhardwaj
(Fri Nov 11 2005 - 08:25:52 PST)
Re: AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list
David A. Case
(Mon Nov 14 2005 - 09:01:25 PST)
Re: AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list
Nitin Bhardwaj
(Tue Nov 15 2005 - 16:11:31 PST)
Re: AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list
Ilyas Yildirim
(Tue Nov 15 2005 - 20:43:09 PST)
Re: AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list
David A. Case
(Wed Nov 16 2005 - 08:56:44 PST)
Re: AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list
Bill Ross
(Wed Nov 09 2005 - 17:40:41 PST)
AMBER: ESP exceeds the MAXESP(20000),
nag raj
(Thu Nov 10 2005 - 02:36:37 PST)
RE: AMBER: ESP exceeds the MAXESP(20000),
Junmei Wang
(Thu Nov 10 2005 - 07:37:05 PST)
AMBER: restart coordinate file
s0344557.sms.ed.ac.uk
(Thu Nov 10 2005 - 05:55:43 PST)
Re: AMBER: restart coordinate file
Carlos Simmerling
(Thu Nov 10 2005 - 07:31:18 PST)
Re: AMBER: restart coordinate file
Bill Ross
(Thu Nov 10 2005 - 07:42:53 PST)
Re: AMBER: restart coordinate file
s0344557.sms.ed.ac.uk
(Thu Nov 10 2005 - 08:11:49 PST)
AMBER: Error message
Sukjoon Yoon
(Mon Nov 14 2005 - 00:14:07 PST)
RE: AMBER: Error message
Ross Walker
(Mon Nov 14 2005 - 07:04:04 PST)
AMBER: RESP problem RESP
laura zan
(Mon Nov 14 2005 - 05:54:28 PST)
Re: AMBER: RESP problem RESP
FyD
(Mon Nov 14 2005 - 06:59:12 PST)
AMBER: iwork array for nmr
Peter Varnai
(Mon Nov 14 2005 - 12:20:38 PST)
Re: AMBER: iwork array for nmr
Guanglei Cui
(Mon Nov 14 2005 - 15:17:31 PST)
AMBER: Antechamber/Leap, problem with Improper angles
Christophe Guilbert
(Mon Nov 14 2005 - 18:06:28 PST)
Re: AMBER: Antechamber/Leap, problem with Improper angles
David A. Case
(Tue Nov 15 2005 - 13:03:11 PST)
AMBER: ew_legal.h
Yam
(Mon Nov 14 2005 - 18:54:03 PST)
RE: AMBER: ew_legal.h
Ross Walker
(Mon Nov 14 2005 - 19:22:31 PST)
RE: AMBER: ew_legal.h
Yam
(Mon Nov 14 2005 - 20:40:37 PST)
Re: AMBER: ew_legal.h
David A. Case
(Mon Nov 14 2005 - 21:41:54 PST)
Re: AMBER: ew_legal.h
Yam
(Mon Nov 14 2005 - 23:10:18 PST)
Re: AMBER: ew_legal.h
darden
(Tue Nov 15 2005 - 05:44:26 PST)
AMBER: calculating end-end distance
C Balasubramanian
(Tue Nov 15 2005 - 02:24:21 PST)
Re: AMBER: calculating end-end distance
David A. Case
(Tue Nov 15 2005 - 08:24:01 PST)
AMBER: recent Chimera MD enhancements
Eric Pettersen
(Tue Nov 15 2005 - 12:59:16 PST)
Re: AMBER: recent Chimera MD enhancements
Eric Pettersen
(Tue Nov 15 2005 - 13:09:21 PST)
AMBER: pH=1 MD simulation
Harianto Tjong
(Tue Nov 15 2005 - 14:16:12 PST)
AMBER: Quantifying DNA perterbation
Kara Di Giorgio
(Tue Nov 15 2005 - 17:44:03 PST)
Re: AMBER: Quantifying DNA perterbation
Thomas Cheatham
(Tue Nov 15 2005 - 21:55:55 PST)
Re: AMBER: Quantifying DNA perterbation
Carlos Simmerling
(Wed Nov 16 2005 - 03:08:41 PST)
AMBER: anal and periodic boundary conditions
Rachel Burdge
(Wed Nov 16 2005 - 08:18:34 PST)
Re: AMBER: anal and periodic boundary conditions
Bill Ross
(Wed Nov 16 2005 - 09:32:57 PST)
AMBER: using periodic boundary conditions to create infinite double helix
Kenley Barrett
(Wed Nov 16 2005 - 09:32:39 PST)
Re: AMBER: using periodic boundary conditions to create infinite double helix
David A. Case
(Wed Nov 16 2005 - 16:10:17 PST)
Re: AMBER: using periodic boundary conditions to create infinite double helix
Bill Ross
(Wed Nov 16 2005 - 16:34:53 PST)
AMBER: ptraj Hbond analysis
mathew k varghese
(Wed Nov 16 2005 - 20:28:52 PST)
Re: AMBER: ptraj Hbond analysis
Thomas Cheatham
(Wed Nov 16 2005 - 21:28:42 PST)
Re: AMBER: ptraj Hbond analysis
mathew k varghese
(Thu Nov 17 2005 - 20:09:14 PST)
Re: AMBER: ptraj Hbond analysis
Thomas Cheatham
(Thu Nov 17 2005 - 21:20:00 PST)
Re: AMBER: ptraj Hbond analysis
mathew k varghese
(Sat Nov 19 2005 - 03:36:12 PST)
Re: AMBER: ptraj Hbond analysis
Thomas Cheatham
(Sun Nov 20 2005 - 15:13:44 PST)
AMBER: FATAL error with ATP, MG2 residue
Michael Mazanetz
(Thu Nov 17 2005 - 01:41:12 PST)
AMBER: need clarification on EWALD BOMB error
S.Sundar Raman
(Thu Nov 17 2005 - 02:03:22 PST)
RE: AMBER: need clarification on EWALD BOMB error
Ross Walker
(Thu Nov 17 2005 - 08:20:02 PST)
Re: AMBER: need clarification on EWALD BOMB error
S.Sundar Raman
(Thu Nov 17 2005 - 19:38:43 PST)
Re: AMBER: need clarification on EWALD BOMB error
Thomas Cheatham
(Thu Nov 17 2005 - 09:45:28 PST)
AMBER: Question about using MM_PBSA
gtg549i.mail.gatech.edu
(Thu Nov 17 2005 - 13:28:19 PST)
Re: AMBER: Question about using MM_PBSA
Wei Chen
(Thu Nov 17 2005 - 15:50:05 PST)
AMBER: FATAL error with ATP and MG2 - fixed
Michael Mazanetz
(Thu Nov 17 2005 - 04:45:27 PST)
AMBER: RED and EP from GAMESS
Vlad Cojocaru
(Fri Nov 18 2005 - 02:12:49 PST)
AMBER: Polarization & energy analysis
GUILBAUD Philippe 153683
(Fri Nov 18 2005 - 02:52:26 PST)
Re: AMBER: Polarization & energy analysis
David A. Case
(Fri Nov 18 2005 - 09:05:43 PST)
AMBER: RED and EP from GAMESS
FyD
(Fri Nov 18 2005 - 04:04:47 PST)
AMBER: Question about PDB format
FyD
(Sat Nov 19 2005 - 00:11:23 PST)
RE: AMBER: Question about PDB format
Ross Walker
(Sat Nov 19 2005 - 08:55:11 PST)
Re: AMBER: Question about PDB format
David A. Case
(Sat Nov 19 2005 - 10:47:45 PST)
Re: AMBER: Question about PDB format
Andy Purkiss
(Sat Nov 19 2005 - 11:19:00 PST)
Re: AMBER: Question about PDB format
FyD
(Sun Nov 20 2005 - 06:21:22 PST)
AMBER: RED&GAMESS: sorry ... my mistake
Vlad Cojocaru
(Fri Nov 18 2005 - 04:28:31 PST)
AMBER: MM/PBSA basic questions
Peng Tao
(Fri Nov 18 2005 - 07:41:26 PST)
Re: AMBER: MM/PBSA basic questions
Wei Chen
(Fri Nov 18 2005 - 09:06:04 PST)
Re: AMBER: MM/PBSA basic questions
David A. Case
(Fri Nov 18 2005 - 09:09:05 PST)
Re: AMBER: MM/PBSA basic questions
Peng Tao
(Fri Nov 18 2005 - 10:59:39 PST)
AMBER: RED: extra variable definition
Vlad Cojocaru
(Sun Nov 20 2005 - 06:48:32 PST)
Re: AMBER: RED: extra variable definition
FyD
(Mon Nov 21 2005 - 06:58:17 PST)
Re: AMBER: RED: extra variable definition
Vlad Cojocaru
(Tue Nov 22 2005 - 01:08:32 PST)
Re: AMBER: RED: extra variable definition
FyD
(Tue Nov 22 2005 - 01:34:33 PST)
Re: AMBER: RED: extra variable definition
FyD
(Tue Nov 22 2005 - 01:40:09 PST)
Re: AMBER: RED: extra variable definition
Vlad Cojocaru
(Tue Nov 22 2005 - 06:26:49 PST)
AMBER: How to use XLEAP to link one atom in a monomer to another atom in another monomer? (where both the 2 monomers are in a same pdb file)
Jiapu.Zhang.csiro.au
(Sun Nov 20 2005 - 17:35:57 PST)
RE: AMBER: How to use XLEAP to link one atom in a monomer to another atom in another monomer? (where both the 2 monomers are in a same pdb file)
Ross Walker
(Sun Nov 20 2005 - 21:59:18 PST)
RE: AMBER: How to use XLEAP to link one atom in a monomer to another atom in another monomer? (where both the 2 monomers are in a same pdb file)
Ross Walker
(Mon Nov 21 2005 - 08:33:44 PST)
RE: AMBER: How to use XLEAP to link one atom in a monomer to another atom in ano
Andrew Box
(Mon Nov 21 2005 - 14:48:34 PST)
AMBER: how to extract the residues of first solvation shell from the simulated system after the production?
gtg549i.mail.gatech.edu
(Mon Nov 21 2005 - 15:46:04 PST)
Re: AMBER: how to extract the residues of first solvation shell from the simulated system after the production?
Thomas Cheatham
(Mon Nov 21 2005 - 19:50:09 PST)
Re: AMBER: how to extract the residues of first solvation shell from the simulated system after the production?
gtg549i.mail.gatech.edu
(Tue Nov 22 2005 - 07:13:49 PST)
Re: AMBER: how to extract the residues of first solvation shell from the simulated system after the production?
gtg549i.mail.gatech.edu
(Tue Nov 22 2005 - 13:28:36 PST)
Re: AMBER: how to extract the residues of first solvation shell from the simulated system after the production?
Thomas Cheatham
(Tue Nov 22 2005 - 20:35:11 PST)
AMBER: Will Amber 9 available?
Xioling Chuang
(Sun Nov 20 2005 - 17:54:55 PST)
Re: AMBER: Will Amber 9 available?
David A. Case
(Sun Nov 20 2005 - 18:16:09 PST)
Re: AMBER: Will Amber 9 available?
bmbbjm.bmb.leeds.ac.uk
(Mon Nov 21 2005 - 01:54:45 PST)
Re: AMBER: Will Amber 9 available?
David A. Case
(Mon Nov 21 2005 - 08:28:34 PST)
Re: AMBER: Will Amber 9 available?
Barbault Florent
(Mon Nov 21 2005 - 02:25:04 PST)
AMBER: temprature and restraint in constant volumm MD
tonglei
(Mon Nov 21 2005 - 00:55:40 PST)
Re: AMBER: temprature and restraint in constant volumm MD
Carlos Simmerling
(Mon Nov 21 2005 - 05:00:08 PST)
Re: AMBER: temprature and restraint in constant volumm MD
tonglei
(Mon Nov 21 2005 - 05:56:12 PST)
AMBER: average struct without solvent
C Balasubramanian
(Mon Nov 21 2005 - 05:51:26 PST)
Re: AMBER: average struct without solvent
mcpreto.fc.up.pt
(Mon Nov 21 2005 - 06:20:39 PST)
RE: AMBER: average struct without solvent
Ross Walker
(Mon Nov 21 2005 - 08:28:23 PST)
Re: AMBER: average struct without solvent
Thomas Cheatham
(Mon Nov 21 2005 - 08:34:23 PST)
AMBER: ANAL problem
Sébastien Fiorucci
(Mon Nov 21 2005 - 09:18:07 PST)
Re: AMBER: ANAL problem
David A. Case
(Mon Nov 21 2005 - 16:17:14 PST)
AMBER: Question about PB bomb
zgleo
(Mon Nov 21 2005 - 18:11:08 PST)
AMBER: Question of PB bomb
zgleo
(Mon Nov 21 2005 - 20:59:54 PST)
AMBER: sp0 console message after using addAtomTypes
Lorna Stimson
(Tue Nov 22 2005 - 00:44:19 PST)
Re: AMBER: sp0 console message after using addAtomTypes
David A. Case
(Tue Nov 22 2005 - 08:44:30 PST)
Re: AMBER: sp0 console message after using addAtomTypes
Lorna Stimson
(Tue Nov 22 2005 - 09:04:07 PST)
AMBER: Leap handling crystallographic waters
Vlad Cojocaru
(Tue Nov 22 2005 - 05:44:57 PST)
Re: AMBER: Leap handling crystallographic waters
Andy Purkiss
(Tue Nov 22 2005 - 06:31:07 PST)
Re: AMBER: Leap handling crystallographic waters
Furse, Kristina Elisabet
(Tue Nov 22 2005 - 09:13:57 PST)
RE: AMBER: Leap handling crystallographic waters
Ross Walker
(Tue Nov 22 2005 - 09:46:38 PST)
RE: AMBER: Leap handling crystallographic waters
Furse, Kristina Elisabet
(Tue Nov 22 2005 - 11:18:34 PST)
RE: AMBER: Leap handling crystallographic waters
Ross Walker
(Tue Nov 22 2005 - 12:09:27 PST)
Re: AMBER: Leap handling crystallographic waters
David A. Case
(Tue Nov 22 2005 - 12:08:39 PST)
AMBER: RE: gaff sugar residue instability
hayden
(Tue Nov 22 2005 - 11:32:14 PST)
Re: AMBER: RE: gaff sugar residue instability
David A. Case
(Tue Nov 22 2005 - 11:40:18 PST)
AMBER: gaff sugar residue instability
hayden
(Thu Nov 24 2005 - 06:43:03 PST)
Re: AMBER: gaff sugar residue instability
David A. Case
(Thu Nov 24 2005 - 10:28:23 PST)
Re: AMBER: gaff sugar residue instability
Bill Ross
(Thu Nov 24 2005 - 10:45:16 PST)
AMBER: GRID program used to add ions and solvate AMBER minimized structures
Vlad Cojocaru
(Tue Nov 22 2005 - 06:53:55 PST)
AMBER: MM_PBSA problem
Zhang Bing
(Tue Nov 22 2005 - 07:37:32 PST)
Re: AMBER: MM_PBSA problem
David A. Case
(Tue Nov 22 2005 - 08:49:59 PST)
AMBER: Using OPLS atom types
Lorna Stimson
(Tue Nov 22 2005 - 08:18:48 PST)
Re: AMBER: Using OPLS atom types
Furse, Kristina Elisabet
(Tue Nov 22 2005 - 09:10:06 PST)
Re: AMBER: Using OPLS atom types
Bill Ross
(Tue Nov 22 2005 - 09:44:16 PST)
AMBER: MM_PBSA problem---Illegal division by zero at ...
Zhang Bing
(Tue Nov 22 2005 - 16:15:40 PST)
AMBER: cluster analysis
mathew k varghese
(Tue Nov 22 2005 - 23:03:27 PST)
RE: AMBER: cluster analysis
Ross Walker
(Wed Nov 23 2005 - 08:15:53 PST)
AMBER: MM_PBSA_parameter
Wei Chen
(Wed Nov 23 2005 - 11:48:12 PST)
Re: AMBER: MM_PBSA_parameter
Ray Luo
(Wed Nov 23 2005 - 13:48:17 PST)
Re: AMBER: MM_PBSA_parameter
Wei Chen
(Wed Nov 23 2005 - 14:51:16 PST)
Re: AMBER: MM_PBSA_parameter
Ray Luo
(Wed Nov 23 2005 - 15:23:33 PST)
AMBER: MM_PBSA question
Tiziano Tuccinardi
(Thu Nov 24 2005 - 01:01:53 PST)
Re: AMBER: MM_PBSA question
David A. Case
(Thu Nov 24 2005 - 10:25:56 PST)
AMBER: Parameters for S-substituted nucleic acids
E.A.Moore
(Thu Nov 24 2005 - 01:29:18 PST)
AMBER: My model loses its motion in MD
Lukasz Bielecki
(Thu Nov 24 2005 - 07:06:14 PST)
Re: AMBER: My model loses its motion in MD
Thomas Cheatham
(Thu Nov 24 2005 - 08:03:07 PST)
Re: AMBER: My model loses its motion in MD
Andreas Svrcek-Seiler
(Thu Nov 24 2005 - 08:07:42 PST)
Re: AMBER: gaff sugar residue instability
Bill Ross
(Thu Nov 24 2005 - 10:48:02 PST)
AMBER:
aloks.mbu.iisc.ernet.in
(Fri Nov 25 2005 - 04:11:01 PST)
AMBER: PARM-99
Angelo Pugliese
(Fri Nov 25 2005 - 06:03:23 PST)
Re: AMBER: PARM-99
Carlos Simmerling
(Fri Nov 25 2005 - 08:36:45 PST)
Re: AMBER: PARM-99
Claire Zerafa
(Sat Nov 26 2005 - 01:24:25 PST)
AMBER: reordering atoms after antechamber
Vlad Cojocaru
(Fri Nov 25 2005 - 09:02:38 PST)
Re: AMBER: reordering atoms after antechamber
David A. Case
(Fri Nov 25 2005 - 09:19:28 PST)
Re: AMBER: reordering atoms after antechamber
FyD
(Mon Nov 28 2005 - 07:10:17 PST)
Re: AMBER: PARM-99
Piotr Cieplak
(Fri Nov 25 2005 - 17:46:31 PST)
AMBER: How to wrap a truncated octahedron water box into the primary box?
Xioling Chuang
(Sat Nov 26 2005 - 02:19:44 PST)
AMBER: input for mm_pbsa
Xioling Chuang
(Sat Nov 26 2005 - 22:31:09 PST)
AMBER: Comparing EELEC from amber and that calculated in the trivial fashion.
Pavan G
(Sun Nov 27 2005 - 19:14:48 PST)
Re: AMBER: Comparing EELEC from amber and that calculated in the trivial fashion.
David A. Case
(Sun Nov 27 2005 - 22:12:55 PST)
Re: AMBER: Comparing EELEC from amber and that calculated in the trivial fashion.
Carlos Simmerling
(Mon Nov 28 2005 - 04:41:30 PST)
AMBER: How to check for water mediated hydrogen bonds?
Hannes Loeffler
(Sun Nov 27 2005 - 20:52:44 PST)
AMBER: Cluster - input files
Ananda Rama Krishnan Selvaraj
(Mon Nov 28 2005 - 02:37:22 PST)
Re: AMBER: Cluster - input files
David A. Case
(Mon Nov 28 2005 - 10:47:12 PST)
Re: AMBER: Cluster - input files
Ananda Rama Krishnan Selvaraj
(Mon Nov 28 2005 - 12:39:44 PST)
Re: AMBER: Cluster - input files
David A. Case
(Mon Nov 28 2005 - 13:28:14 PST)
Re: AMBER: Cluster - input files
Bill Ross
(Mon Nov 28 2005 - 13:51:04 PST)
AMBER: CD spectrum
Anthony Cruz
(Mon Nov 28 2005 - 09:58:34 PST)
Re: AMBER: CD spectrum
Adrian Roitberg
(Mon Nov 28 2005 - 07:10:15 PST)
AMBER: antechamber charge methods
Sagar S. Rane
(Mon Nov 28 2005 - 08:20:45 PST)
AMBER: MM_PBSA stopped at some snapshot
Xioling Chuang
(Mon Nov 28 2005 - 21:57:54 PST)
Re: AMBER: MM_PBSA stopped at some snapshot
Ray Luo
(Sun Nov 27 2005 - 18:37:12 PST)
Re: AMBER: MM_PBSA stopped at some snapshot
Ray Luo
(Tue Nov 29 2005 - 18:55:41 PST)
AMBER: AMBER compilation with -DREM
Sergey Krishtal
(Tue Nov 29 2005 - 04:45:46 PST)
Re: AMBER: AMBER compilation with -DREM
David A. Case
(Tue Nov 29 2005 - 09:40:18 PST)
Re[2]: AMBER: AMBER compilation with -DREM
Sergey Krishtal
(Wed Nov 30 2005 - 03:38:17 PST)
RE: Re[2]: AMBER: AMBER compilation with -DREM
Ross Walker
(Wed Nov 30 2005 - 08:26:29 PST)
AMBER: some problems with Antechamber
David Mobley
(Tue Nov 29 2005 - 08:39:26 PST)
Re: AMBER: some problems with Antechamber
Wei Zhang
(Tue Nov 29 2005 - 09:14:53 PST)
Re: AMBER: some problems with Antechamber
David Mobley
(Tue Nov 29 2005 - 11:08:00 PST)
AMBER: constant pressure vs. constant volume heating
Vlad Cojocaru
(Tue Nov 29 2005 - 10:50:39 PST)
Re: AMBER: constant pressure vs. constant volume heating
David Mobley
(Tue Nov 29 2005 - 11:20:46 PST)
RE: AMBER: constant pressure vs. constant volume heating
Ross Walker
(Tue Nov 29 2005 - 11:20:38 PST)
Re: AMBER: constant pressure vs. constant volume heating
Bill Ross
(Tue Nov 29 2005 - 11:51:12 PST)
AMBER: Solvation in trifluoroethanol
Ann Vilan Tran
(Tue Nov 29 2005 - 11:57:17 PST)
AMBER: rdparm bug
David Mobley
(Tue Nov 29 2005 - 18:40:02 PST)
AMBER: question convert crd files to pdb files
Zhuang
(Tue Nov 29 2005 - 20:02:08 PST)
RE: AMBER: question convert crd files to pdb files
Ross Walker
(Tue Nov 29 2005 - 20:27:02 PST)
AMBER: parmchk segfaulting
David A. Case
(Tue Nov 29 2005 - 20:06:03 PST)
AMBER: more data points on the parmchk problem
David A. Case
(Wed Nov 30 2005 - 07:30:12 PST)
Re: AMBER: more data points on the parmchk problem
David Mobley
(Wed Nov 30 2005 - 09:04:01 PST)
Re: AMBER: more data points on the parmchk problem
John Mongan
(Wed Nov 30 2005 - 13:01:35 PST)
AMBER: ifort compiling problem
Simon Whitehead
(Wed Nov 30 2005 - 07:27:48 PST)
Re: AMBER: ifort compiling problem
Andy Purkiss
(Wed Nov 30 2005 - 07:39:48 PST)
AMBER: Targeted MD
Whitney Allen
(Wed Nov 30 2005 - 08:20:10 PST)
Re: AMBER: Targeted MD
Viktor Hornak
(Wed Nov 30 2005 - 09:46:55 PST)
AMBER: MM-PBSA: plot the "Ggas+Gsol" vs time
Lihong Song
(Wed Nov 30 2005 - 10:15:28 PST)
Re: AMBER: MM-PBSA: plot the "Ggas+Gsol" vs time
Nelson Fonseca
(Wed Nov 30 2005 - 13:33:09 PST)
Re: AMBER: Targeted MD
Carlos Simmerling
(Wed Nov 30 2005 - 09:51:47 PST)
AMBER: Residual Dipolar Refinement
RadhaKumari Yadav
(Wed Nov 30 2005 - 09:16:23 PST)
AMBER: Any way to get different charge on same type atom
Jianzhong Liu
(Wed Nov 30 2005 - 15:07:28 PST)
Re: AMBER: Any way to get different charge on same type atom
rpaduri.chem.wayne.edu
(Wed Nov 30 2005 - 16:37:13 PST)
Re: AMBER: Mg2+ issues of using MM-PB/GBSA
Ray Luo
(Wed Nov 30 2005 - 08:46:56 PST)
Re: AMBER: Mg2+ issues of using MM-PB/GBSA
Ray Luo
(Wed Nov 30 2005 - 18:04:55 PST)
Re: AMBER: Mg2+ issues of using MM-PB/GBSA
Ray Luo
(Wed Nov 30 2005 - 20:31:29 PST)
Re: AMBER: Questions about MM-PBSA in Amber8
Ray Luo
(Wed Nov 30 2005 - 16:39:50 PST)
Last message date
:
Fri Dec 02 2005 - 21:53:01 PST
Archived on
: Wed Mar 17 2010 - 06:00:26 PDT
309 messages
sort by
: [
author
] [
date
] [
subject
] [
attachment
]
Custom Search
