Amber Archive Jan 2007 by thread
433 messages
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Starting
Wed Jan 03 2007 - 06:07:11 PST,
Ending
Sun Feb 04 2007 - 06:07:23 PST
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Re: AMBER: G5 OSX serial compile error
Mengjuei Hsieh
(Mon Jan 01 2007 - 02:16:12 PST)
Re: AMBER: G5 OSX serial compile error
Kevin Kelliher
(Fri Jan 05 2007 - 10:58:56 PST)
Re: AMBER: G5 OSX serial compile error
Mengjuei Hsieh
(Mon Jan 08 2007 - 16:26:26 PST)
Re: AMBER: AMBER complile problem
Chengwen Chen
(Mon Jan 01 2007 - 19:19:08 PST)
AMBER: fluctuations
Jardas sucuriba
(Tue Jan 02 2007 - 07:21:22 PST)
AMBER: Deep energetics problem
sai vikram
(Tue Jan 02 2007 - 09:10:19 PST)
RE: AMBER: Deep energetics problem
Ross Walker
(Tue Jan 02 2007 - 11:12:53 PST)
Re: AMBER: Deep energetics problem
sai vikram
(Wed Jan 03 2007 - 00:26:42 PST)
AMBER: Distance Restraints Problem
Esther Brugger
(Tue Jan 02 2007 - 14:00:16 PST)
Re: AMBER: Distance Restraints Problem
David A. Case
(Tue Jan 02 2007 - 15:37:18 PST)
Re: AMBER: problems trying to modify Amber8
David A. Case
(Tue Jan 02 2007 - 15:53:36 PST)
AMBER: assign atom hybrid
xiaoqin huang
(Tue Jan 02 2007 - 17:54:52 PST)
AMBER: amber9 installation error
Seaclear Theory
(Tue Jan 02 2007 - 18:10:12 PST)
Re: AMBER: amber9 installation error
David A. Case
(Tue Jan 02 2007 - 23:00:50 PST)
Re: AMBER: amber9 installation error
Seaclear Theory
(Wed Jan 03 2007 - 07:55:51 PST)
Re: AMBER: amber9 installation error
David A. Case
(Wed Jan 03 2007 - 18:05:35 PST)
Re: AMBER: amber9 installation error
Seaclear Theory
(Wed Jan 03 2007 - 20:34:49 PST)
Re: AMBER: amber9 installation error
Seaclear Theory
(Thu Jan 04 2007 - 13:27:14 PST)
Re: AMBER: amber9 installation error
Seaclear Theory
(Wed Jan 03 2007 - 10:04:27 PST)
AMBER: Re:tree name generated by tleap is different from the input PREP parameter file
xiaoqin huang
(Tue Jan 02 2007 - 18:41:13 PST)
Re: AMBER: Re:tree name generated by tleap is different from the input PREP parameter file
Bill Ross
(Tue Jan 02 2007 - 20:26:14 PST)
Re: AMBER: Re:tree name generated by tleap is different from the input PREP parameter file
xiaoqin huang
(Wed Jan 03 2007 - 07:05:18 PST)
AMBER: H-bond in ptraj
nag raj
(Wed Jan 03 2007 - 04:17:51 PST)
Re: AMBER: H-bond in ptraj
Jianyin Shao
(Thu Jan 04 2007 - 11:49:38 PST)
Re: AMBER: H-bond in ptraj
nag raj
(Thu Jan 04 2007 - 20:34:59 PST)
Re: AMBER: H-bond in ptraj
Barbault Florent
(Fri Jan 05 2007 - 00:20:22 PST)
Re: AMBER: H-bond in ptraj
nag raj
(Fri Jan 05 2007 - 23:22:10 PST)
AMBER: H-bond in each fram
nag raj
(Sun Jan 07 2007 - 21:49:57 PST)
AMBER: torsion angle penalty calculation
Mike Summers
(Wed Jan 03 2007 - 07:18:34 PST)
Re: AMBER: torsion angle penalty calculation
David A. Case
(Wed Jan 03 2007 - 08:54:33 PST)
Re: AMBER: torsion angle penalty calculationy
Mike Summers
(Wed Jan 03 2007 - 10:13:24 PST)
AMBER: MPI is slower than single processor with water
Mike Summers
(Tue Jan 16 2007 - 08:30:18 PST)
RE: AMBER: MPI is slower than single processor with water
Ross Walker
(Tue Jan 16 2007 - 08:50:36 PST)
Re: AMBER: MPI is slower than single processor with water
Mike Summers
(Tue Jan 16 2007 - 09:32:53 PST)
RE: AMBER: MPI is slower than single processor with water
Yu Chen
(Tue Jan 16 2007 - 12:23:23 PST)
AMBER: installing amber 8 on 5 nodes cluster PC
Syed Tarique Moin
(Wed Jan 03 2007 - 08:44:54 PST)
Re: AMBER: installing amber 8 on 5 nodes cluster PC
David A. Case
(Wed Jan 03 2007 - 09:26:17 PST)
Re: AMBER: installing amber 8 on 5 nodes cluster PC
Syed Tarique Moin
(Wed Jan 03 2007 - 10:25:45 PST)
AMBER: mm_pbsa problems
Jardas sucuriba
(Tue Jan 30 2007 - 07:55:00 PST)
AMBER: How to get a periodic box of modified water molecules
Li Su
(Wed Jan 03 2007 - 09:25:11 PST)
Re: AMBER: How to get a periodic box of modified water molecules
David A. Case
(Wed Jan 03 2007 - 22:04:10 PST)
AMBER: AMBER citation questions
caoch.cherry.bio.titech.ac.jp
(Thu Jan 04 2007 - 00:59:08 PST)
Re: AMBER: AMBER citation questions
Carlos Simmerling
(Thu Jan 04 2007 - 03:36:28 PST)
AMBER: Distance Restraints
Esther Brugger
(Wed Jan 03 2007 - 12:29:26 PST)
Re: AMBER: Distance Restraints
Esther Brugger
(Wed Jan 03 2007 - 14:04:03 PST)
AMBER: Preprocessor Error: _qmmm_module.f "Extra Characters..."
Mike Hanby
(Wed Jan 03 2007 - 14:53:43 PST)
RE: AMBER: Preprocessor Error: _qmmm_module.f "Extra Characters..."
Ross Walker
(Wed Jan 03 2007 - 15:34:23 PST)
Re: AMBER: Distance Restraints
Esther Brugger
(Fri Jan 05 2007 - 07:17:38 PST)
AMBER: NH3 potential
Jennie Thomas
(Wed Jan 03 2007 - 13:00:28 PST)
AMBER: H-acceptors problem in ptraj
nag raj
(Wed Jan 03 2007 - 21:20:09 PST)
AMBER: The unperturbed charge of the unit: -20.999999 is not zero.
saurabh agrawal
(Wed Jan 03 2007 - 23:03:49 PST)
Re: AMBER: The unperturbed charge of the unit: -20.999999 is not zero.
Nitin Bhardwaj
(Thu Jan 04 2007 - 07:54:39 PST)
Re: AMBER: The unperturbed charge of the unit: -20.999999 is not zero.
Carlos Simmerling
(Thu Jan 04 2007 - 11:31:29 PST)
AMBER: 22 improper torsions in old prep form
saurabh agrawal
(Thu Jan 04 2007 - 22:29:21 PST)
AMBER: intra-molecular h-bonds in ptraj
lily ferreira
(Thu Jan 04 2007 - 07:17:37 PST)
Re: AMBER: intra-molecular h-bonds in ptraj
Jianyin Shao
(Thu Jan 04 2007 - 12:11:36 PST)
AMBER: enzyme kinetics in silico
Sean Rathlef
(Thu Jan 04 2007 - 09:24:46 PST)
Re: AMBER: enzyme kinetics in silico
Suxin Zheng
(Thu Jan 04 2007 - 09:54:47 PST)
Re: AMBER: enzyme kinetics in silico
Fenghui Fan
(Thu Jan 04 2007 - 13:34:41 PST)
Fwd: AMBER: Atoms overlapping
Nitin Bhardwaj
(Thu Jan 04 2007 - 16:58:26 PST)
Re : AMBER: intra-molecular h-bonds in ptraj
lily ferreira
(Fri Jan 05 2007 - 05:37:52 PST)
Re: Re : AMBER: intra-molecular h-bonds in ptraj
Esther Brugger
(Fri Jan 05 2007 - 07:11:43 PST)
Re: Re : AMBER: intra-molecular h-bonds in ptraj
Thomas Cheatham
(Sun Jan 07 2007 - 20:51:29 PST)
Re: AMBER: 22 improper torsions in old prep form
Bill Ross
(Fri Jan 05 2007 - 10:39:23 PST)
AMBER: How to change the force field equation in amber by programming...
Gobind Singh Bisht
(Fri Jan 05 2007 - 11:55:22 PST)
Re: AMBER: How to change the force field equation in amber by programming...
David A. Case
(Fri Jan 05 2007 - 13:34:41 PST)
Re: AMBER: How to change the force field equation in amber by programming...
Gobind Singh Bisht
(Sun Jan 07 2007 - 06:06:06 PST)
Re: AMBER: How to change the force field equation in amber by programming...
David A. Case
(Mon Jan 08 2007 - 15:00:10 PST)
AMBER: unsubscribe
Perdita Barran
(Sun Jan 07 2007 - 10:13:40 PST)
AMBER: Hydrogen in a phosphate ion
Nitin Bhardwaj
(Fri Jan 05 2007 - 14:00:09 PST)
Re: AMBER: Hydrogen in a phosphate ion
David A. Case
(Tue Jan 09 2007 - 11:46:43 PST)
AMBER: Simulation of a charged system
Kijeong Kwac
(Fri Jan 05 2007 - 15:08:42 PST)
Re: AMBER: Simulation of a charged system
Carlos Simmerling
(Fri Jan 05 2007 - 15:41:02 PST)
AMBER: question about the testing of AMBER9
Shaoqing.Zhang.mail.uh.edu
(Fri Jan 05 2007 - 18:25:16 PST)
Re: AMBER: question about the testing of AMBER9
David A. Case
(Fri Jan 05 2007 - 20:54:53 PST)
Re: AMBER: question about the testing of AMBER9
Shaoqing.Zhang.mail.uh.edu
(Sat Jan 06 2007 - 15:07:04 PST)
RE: AMBER: question about the testing of AMBER9
Ross Walker
(Sat Jan 06 2007 - 15:37:06 PST)
Re: RE: AMBER: question about the testing of AMBER9
Shaoqing.Zhang.mail.uh.edu
(Sun Jan 07 2007 - 13:25:39 PST)
Re: AMBER: question about the testing of AMBER9
Mark Williamson
(Sun Jan 07 2007 - 15:36:28 PST)
Re: AMBER: question about the testing of AMBER9
Shaoqing.Zhang.mail.uh.edu
(Sun Jan 07 2007 - 17:18:05 PST)
Re: AMBER: question about the testing of AMBER9
Mark Williamson
(Mon Jan 08 2007 - 01:36:55 PST)
Re: AMBER: question about the testing of AMBER9
Shaoqing.Zhang.mail.uh.edu
(Mon Jan 08 2007 - 09:06:18 PST)
RE: AMBER: question about the testing of AMBER9
Ross Walker
(Mon Jan 08 2007 - 11:52:55 PST)
Re: AMBER: question about the testing of AMBER9
Mark Williamson
(Mon Jan 08 2007 - 13:10:53 PST)
Re: AMBER: question about the testing of AMBER9
Shaoqing.Zhang.mail.uh.edu
(Mon Jan 08 2007 - 13:56:44 PST)
Re: AMBER: question about the testing of AMBER9
Andreas Svrcek-Seiler
(Mon Jan 08 2007 - 03:15:58 PST)
RE: AMBER: question about the testing of AMBER9
Bill Ross
(Mon Jan 08 2007 - 12:05:19 PST)
AMBER: entropy units
Giulio Rastelli
(Mon Jan 08 2007 - 02:33:19 PST)
AMBER: How to do minimization..
sai vikram
(Mon Jan 08 2007 - 07:30:59 PST)
RE: AMBER: How to do minimization..
Ross Walker
(Mon Jan 08 2007 - 08:32:09 PST)
AMBER: improper torsions
Ed Pate
(Mon Jan 08 2007 - 11:08:36 PST)
Re: AMBER: improper torsions
Fenghui Fan
(Mon Jan 08 2007 - 11:45:09 PST)
Re: AMBER: improper torsions
Bill Ross
(Mon Jan 08 2007 - 12:00:06 PST)
Re: AMBER: Installation help - SGI Altix 350
bertrand russell
(Mon Jan 08 2007 - 23:17:54 PST)
RE: AMBER: Installation help - SGI Altix 350
Ross Walker
(Tue Jan 09 2007 - 08:18:55 PST)
Re: AMBER: Installation help - SGI Altix 350
Gustavo Seabra
(Wed Jan 10 2007 - 08:07:26 PST)
AMBER: How many steps should be used for a MD calculation?
Michel Becker
(Tue Jan 09 2007 - 01:12:55 PST)
AMBER: image command
venditti2.unisi.it
(Tue Jan 09 2007 - 06:09:07 PST)
Re: AMBER: image command
Thomas Cheatham
(Tue Jan 09 2007 - 22:25:48 PST)
Re: AMBER: image command
Petr Kulhanek
(Wed Jan 10 2007 - 00:45:45 PST)
AMBER: amber 9
Sophie Barbe
(Tue Jan 09 2007 - 07:29:04 PST)
RE: AMBER: amber 9
Ross Walker
(Tue Jan 09 2007 - 08:31:36 PST)
RE: AMBER: amber 9
Sophie Barbe
(Wed Jan 10 2007 - 09:54:36 PST)
RE: AMBER: amber 9
Ross Walker
(Wed Jan 10 2007 - 10:11:44 PST)
RE: AMBER: amber 9
Sophie Barbe
(Wed Jan 10 2007 - 10:28:51 PST)
Re: AMBER: amber 9
Chris Moth
(Thu Jan 11 2007 - 11:43:27 PST)
Re: AMBER: amber 9
David A. Case
(Thu Jan 11 2007 - 11:21:09 PST)
AMBER: explicit implicit solvent
Ji-Lai Li
(Wed Jan 10 2007 - 06:24:20 PST)
Re: AMBER: explicit implicit solvent
Carlos Simmerling
(Wed Jan 10 2007 - 06:53:53 PST)
AMBER: experimental phi-values as restraints
rebeca.mmb.pcb.ub.es
(Wed Jan 10 2007 - 08:06:11 PST)
Re: AMBER: experimental phi-values as restraints
Vladimir Tchoupakhine
(Wed Jan 10 2007 - 08:23:58 PST)
AMBER:
Steve Seibold
(Wed Jan 10 2007 - 08:46:28 PST)
Re: AMBER:
Vladimir Tchoupakhine
(Wed Jan 10 2007 - 08:51:46 PST)
RE: AMBER:
Ross Walker
(Wed Jan 10 2007 - 09:17:11 PST)
RE: AMBER:
Steve Seibold
(Wed Jan 10 2007 - 11:03:30 PST)
AMBER: Section missing from AMBER 9 manual?
Steven Winfield
(Wed Jan 10 2007 - 08:57:36 PST)
Re: AMBER: Section missing from AMBER 9 manual?
David A. Case
(Wed Jan 10 2007 - 13:02:12 PST)
AMBER: test submission through PBS queue
Evan Kelly
(Wed Jan 10 2007 - 11:20:45 PST)
Re: AMBER: test submission through PBS queue
Scott Brozell
(Wed Jan 10 2007 - 11:33:09 PST)
RE: AMBER: test submission through PBS queue
Ross Walker
(Wed Jan 10 2007 - 11:35:27 PST)
AMBER: sander crashes during minimization
Seth Lilavivat
(Wed Jan 10 2007 - 11:29:15 PST)
RE: AMBER: sander crashes during minimization
Ross Walker
(Wed Jan 10 2007 - 11:40:05 PST)
AMBER: perturbed atoms are not bonded on using TIP5P water
sugino tatsuro
(Thu Jan 11 2007 - 06:12:09 PST)
Re: AMBER: perturbed atoms are not bonded on using TIP5P water
David A. Case
(Thu Jan 11 2007 - 14:12:23 PST)
RE: AMBER: perturbed atoms are not bonded on using TIP5P water
sugino tatsuro
(Fri Jan 12 2007 - 05:58:40 PST)
Re: AMBER: perturbed atoms are not bonded on using TIP5P water
Steven Winfield
(Fri Jan 12 2007 - 06:07:38 PST)
Re: AMBER: perturbed atoms are not bonded on using TIP5P water
David A. Case
(Sun Jan 14 2007 - 09:39:13 PST)
Re: AMBER: perturbed atoms are not bonded on using TIP5P water
sugino tatsuro
(Mon Jan 15 2007 - 17:40:32 PST)
Re: AMBER: perturbed atoms are not bonded on using TIP5P water
David A. Case
(Mon Jan 15 2007 - 18:23:17 PST)
RE: AMBER: perturbed atoms are not bonded on using TIP5P water
sugino tatsuro
(Mon Jan 15 2007 - 19:33:18 PST)
Re: AMBER: perturbed atoms are not bonded on using TIP5P water
sugino tatsuro
(Mon Jan 15 2007 - 19:19:59 PST)
RE: AMBER: perturbed atoms are not bonded on using TIP5P water
sugino tatsuro
(Tue Jan 16 2007 - 09:35:22 PST)
AMBER: Simulations with GB models
Wei Chen
(Thu Jan 11 2007 - 08:23:15 PST)
Re: AMBER: Simulations with GB models
Carlos Simmerling
(Thu Jan 11 2007 - 10:28:16 PST)
AMBER: Leap adding 3 extra atoms
Akshay Patny
(Thu Jan 11 2007 - 09:35:00 PST)
AMBER: CYX residue missing from Amber 9 ff03ua (?)
Chris Moth
(Thu Jan 11 2007 - 11:32:04 PST)
RE: AMBER: CYX residue missing from Amber 9 ff03ua (?)
Ray Luo
(Thu Jan 11 2007 - 14:59:29 PST)
Re: AMBER: Leap adding 3 extra atoms
Bill Ross
(Thu Jan 11 2007 - 11:33:14 PST)
RE: AMBER: Leap adding extra atoms
Akshay Patny
(Thu Jan 11 2007 - 13:38:37 PST)
RE: AMBER: Leap adding extra atoms
Scott Brozell
(Mon Jan 15 2007 - 12:39:49 PST)
RE: AMBER: Leap adding extra atoms
Scott Brozell
(Mon Jan 15 2007 - 13:30:00 PST)
AMBER: Amber 8.0 : how to represent EPS with VMD?
Guillaume Bollot
(Fri Jan 12 2007 - 06:49:28 PST)
AMBER: solvation of protein using TIP3PBOX in amber 8
Syed Tarique Moin
(Sat Jan 13 2007 - 10:25:46 PST)
Re: AMBER: solvation of protein using TIP3PBOX in amber 8
David A. Case
(Sat Jan 13 2007 - 21:40:46 PST)
Re: AMBER: solvation of protein using TIP3PBOX in amber 8
Syed Tarique Moin
(Sun Jan 14 2007 - 01:59:32 PST)
AMBER: output
khn _
(Sat Jan 13 2007 - 20:24:11 PST)
Re: AMBER: output
David A. Case
(Sat Jan 13 2007 - 21:38:24 PST)
Re: AMBER: output
Thaison Tran
(Sat Jan 13 2007 - 23:59:56 PST)
AMBER: problems in energy minimization using TIP5P water model
sugino tatsuro
(Sun Jan 14 2007 - 08:35:11 PST)
AMBER: problem compiling Amber 7
Kevin Cahill
(Sun Jan 14 2007 - 18:35:00 PST)
Re: AMBER: problem compiling Amber 7
Scott Brozell
(Mon Jan 15 2007 - 09:29:10 PST)
Re: AMBER: problem compiling Amber 7
David A. Case
(Mon Jan 15 2007 - 09:38:26 PST)
AMBER: About the problem of the PMEMD and cutoff
方磊
(Sun Jan 14 2007 - 19:56:17 PST)
Re: AMBER: About the problem of the PMEMD and cutoff
Robert Duke
(Sun Jan 14 2007 - 20:20:22 PST)
Re: AMBER: About the problem of the PMEMD and cutoff
方磊
(Mon Jan 15 2007 - 04:45:29 PST)
Re: AMBER: About the problem of the PMEMD and cutoff
Robert Duke
(Mon Jan 15 2007 - 05:19:26 PST)
Fwd: Re: AMBER: solvation of protein using TIP3PBOX in amber 8
Syed Tarique Moin
(Mon Jan 15 2007 - 21:14:12 PST)
AMBER: convert pdb files to restart files
khn _
(Tue Jan 16 2007 - 02:50:47 PST)
Re: AMBER: convert pdb files to restart files
Stefano Pieraccini
(Tue Jan 16 2007 - 04:57:41 PST)
RE: AMBER: convert pdb files to restart files
Ross Walker
(Tue Jan 16 2007 - 07:19:54 PST)
AMBER: mm_pbsa_statistics.pl
Antonio Morreale
(Tue Jan 16 2007 - 04:28:52 PST)
AMBER: RE: help
Ross Walker
(Tue Jan 16 2007 - 08:23:44 PST)
AMBER: Radii for water hydrogens are different
Steve Spronk
(Tue Jan 16 2007 - 12:29:45 PST)
Re: AMBER: Radii for water hydrogens are different
David A. Case
(Fri Jan 19 2007 - 10:13:41 PST)
AMBER: RESP charges for charged species
Michel Becker
(Tue Jan 16 2007 - 13:44:26 PST)
Re: AMBER: RESP charges for charged species
FyD
(Tue Jan 16 2007 - 21:13:51 PST)
AMBER: How are water molecules at cutoff being treated?
Li Su
(Tue Jan 16 2007 - 14:48:47 PST)
Re: AMBER: How are water molecules at cutoff being treated?
David A. Case
(Tue Jan 16 2007 - 15:36:07 PST)
AMBER: mm_pbsa vertex atom mismatch
AYTUG TUNCEL
(Tue Jan 16 2007 - 15:10:35 PST)
AMBER: calcium parameter for GB
Wei Chen
(Tue Jan 16 2007 - 15:21:08 PST)
Re: AMBER: calcium parameter for GB
David A. Case
(Tue Jan 16 2007 - 15:33:43 PST)
Re: AMBER: calcium parameter for GB
Ji-Lai Li
(Wed Jan 17 2007 - 00:19:09 PST)
Re: AMBER: calcium parameter for GB
Wei Chen
(Wed Jan 17 2007 - 08:25:47 PST)
Re: AMBER: calcium parameter for GB
Qing Zhang
(Wed Jan 17 2007 - 09:06:36 PST)
Re: AMBER: calcium parameter for GB
Ji-Lai Li
(Wed Jan 17 2007 - 17:25:20 PST)
Re: AMBER: calcium parameter for GB
Wei Chen
(Thu Jan 18 2007 - 08:15:45 PST)
Re: AMBER: calcium parameter for GB
Bill Ross
(Thu Jan 18 2007 - 10:36:01 PST)
Re: AMBER: calcium parameter for GB
Qing Zhang
(Tue Jan 23 2007 - 10:49:54 PST)
Re: AMBER: calcium parameter for GB
Ji-Lai Li
(Tue Jan 23 2007 - 18:07:21 PST)
Re: AMBER: calcium parameter for GB
Qing Zhang
(Wed Jan 24 2007 - 09:33:24 PST)
AMBER: DNA structure analysis
Catein Catherine
(Tue Jan 16 2007 - 19:12:42 PST)
Re: AMBER: DNA structure analysis
Jiri Sponer
(Wed Jan 17 2007 - 02:39:36 PST)
Re: AMBER: DNA structure analysis
Catein Catherine
(Wed Jan 17 2007 - 08:23:08 PST)
Re: AMBER: DNA structure analysis
Fenghui Fan
(Wed Jan 17 2007 - 07:31:00 PST)
Re: AMBER: DNA structure analysis
Catein Catherine
(Wed Jan 17 2007 - 08:24:16 PST)
RE: AMBER: perturbed atoms are not bonded on using TIP5P wate
sugino tatsuro
(Tue Jan 16 2007 - 21:47:51 PST)
Re: AMBER: perturbed atoms are not bonded on using TIP5P wate
David A. Case
(Thu Jan 18 2007 - 09:40:37 PST)
AMBER: Drug bound to the protein
Sophie Barbe
(Wed Jan 17 2007 - 00:56:21 PST)
Re: AMBER: Drug bound to the protein
Guillermo Mulliert Carlín
(Wed Jan 17 2007 - 07:27:45 PST)
Re: AMBER: Drug bound to the protein
David A. Case
(Wed Jan 17 2007 - 08:57:02 PST)
AMBER: solaris 10 and compilers on X86_64 hardware
M. L. Dodson
(Wed Jan 17 2007 - 07:45:27 PST)
Re: AMBER: solaris 10 and compilers on X86_64 hardware
Knut Langsetmo
(Wed Jan 17 2007 - 08:03:33 PST)
AMBER: vdW parameters for chlorine atom
Austin B. Yongye
(Wed Jan 17 2007 - 09:19:34 PST)
Re: AMBER: vdW parameters for chlorine atom
David A. Case
(Wed Jan 17 2007 - 17:55:15 PST)
AMBER: (no subject)
Yusheng Dou
(Wed Jan 17 2007 - 09:29:10 PST)
Re: AMBER: Drug bound to the protein
Bill Ross
(Wed Jan 17 2007 - 11:28:15 PST)
AMBER: vertex atom mismatch
saurabh agrawal
(Wed Jan 17 2007 - 23:49:25 PST)
AMBER: WARNING: Missing VDWNB for MM in 1 -> Taken from 0
saurabh agrawal
(Thu Jan 18 2007 - 09:15:40 PST)
AMBER: (no subject)
mahdi fathi
(Thu Jan 18 2007 - 02:10:24 PST)
AMBER: sanger
deepti nayar
(Thu Jan 18 2007 - 03:29:19 PST)
Re: AMBER: sanger
Chupakhin Vladimir
(Thu Jan 18 2007 - 06:05:01 PST)
Re: AMBER: sanger
Carlos Simmerling
(Thu Jan 18 2007 - 06:09:31 PST)
Re: AMBER: sanger
David A. Case
(Thu Jan 18 2007 - 09:05:34 PST)
AMBER: issues with restrt file
Amit Kumar
(Thu Jan 18 2007 - 08:15:52 PST)
Re: AMBER: issues with restrt file
Carlos Simmerling
(Thu Jan 18 2007 - 09:07:35 PST)
Re: AMBER: issues with restrt file
Amit Kumar
(Thu Jan 18 2007 - 09:59:40 PST)
Re: AMBER: issues with restrt file
Carlos Simmerling
(Thu Jan 18 2007 - 10:02:48 PST)
Re: AMBER: issues with restrt file
Amit Kumar
(Thu Jan 18 2007 - 10:27:12 PST)
Re: AMBER: issues with restrt file
Carlos Simmerling
(Thu Jan 18 2007 - 10:30:01 PST)
AMBER: error when using sander.LES: exceeded MAXLES
Kailee
(Thu Jan 18 2007 - 08:33:18 PST)
Re: AMBER: error when using sander.LES: exceeded MAXLES
Carlos Simmerling
(Thu Jan 18 2007 - 09:03:08 PST)
Re: AMBER: error when using sander.LES: exceeded MAXLES
David A. Case
(Thu Jan 18 2007 - 09:12:23 PST)
AMBER: mm-pbsa, long distance free energy calculation problem
Bing Liu
(Thu Jan 18 2007 - 09:06:53 PST)
Re: AMBER: mm-pbsa, long distance free energy calculation problem
Wei Chen
(Thu Jan 18 2007 - 12:24:26 PST)
Re: AMBER: mm-pbsa, long distance free energy calculation problem
Bing Liu
(Thu Jan 18 2007 - 13:09:38 PST)
AMBER: HF/6-31G* ESP Charges do not match with ff02 charges
Pavan G
(Thu Jan 18 2007 - 22:19:19 PST)
Re: AMBER: HF/6-31G* ESP Charges do not match with ff02 charges
mernst.tricity.wsu.edu
(Thu Jan 18 2007 - 23:02:10 PST)
Re: AMBER: HF/6-31G* ESP Charges do not match with ff02 charges
FyD
(Fri Jan 19 2007 - 00:31:46 PST)
Re: AMBER: HF/6-31G* ESP Charges do not match with ff02 charges
mernst.tricity.wsu.edu
(Fri Jan 19 2007 - 10:59:52 PST)
Re: AMBER: HF/6-31G* ESP Charges do not match with ff02 charges
FyD
(Fri Jan 19 2007 - 12:30:43 PST)
Re: AMBER: HF/6-31G* ESP Charges do not match with ff02 charges
Pavan G
(Sun Jan 28 2007 - 07:45:32 PST)
AMBER: RESP Charges for Charged Carboxylate in Organic Ligand
Akshay Patny
(Fri Jan 19 2007 - 00:34:58 PST)
Re: AMBER: RESP Charges for Charged Carboxylate in Organic Ligand
FyD
(Fri Jan 19 2007 - 05:19:17 PST)
AMBER: Dihedral FF parameters
FyD
(Fri Jan 19 2007 - 07:40:10 PST)
Re: AMBER: Dihedral FF parameters
Ye Mei
(Fri Jan 19 2007 - 07:44:14 PST)
RE: AMBER: RESP Charges for Charged Carboxylate in Organic Ligand
Akshay Patny
(Mon Jan 29 2007 - 08:57:45 PST)
AMBER: The convergence criteria for the energy minimization of the DNA molecule (dodecmer duplux)
Chengwen Chen
(Fri Jan 19 2007 - 01:37:53 PST)
Re: AMBER: The convergence criteria for the energy minimization of the DNA molecule (dodecmer duplux)
David A. Case
(Fri Jan 19 2007 - 08:36:34 PST)
Re: AMBER: The convergence criteria for the energy minimization of the DNA molecule (dodecmer duplux)
Chengwen Chen
(Sat Jan 20 2007 - 19:55:46 PST)
AMBER: PB Bomb in pb_aaradi(): No radius assigned for atom 4474 F3 f
emilia wu
(Fri Jan 19 2007 - 05:15:56 PST)
RE: AMBER: PB Bomb in pb_aaradi(): No radius assigned for atom 4474 F3 f
Ray Luo
(Fri Jan 19 2007 - 09:50:19 PST)
Re: RE: AMBER: PB Bomb in pb_aaradi(): No radius assigned for atom 4474 F3 f
emilia wu
(Fri Jan 19 2007 - 17:54:27 PST)
RE: RE: AMBER: PB Bomb in pb_aaradi(): No radius assigned for atom 4474 F3 f
Ray Luo
(Sat Jan 20 2007 - 10:45:36 PST)
Re: RE: RE: AMBER: PB Bomb in pb_aaradi(): No radius assigned for atom 4474 F3 f
emilia wu
(Sun Jan 21 2007 - 17:42:18 PST)
Re: RE: RE: AMBER: PB Bomb in pb_aaradi(): No radius assigned for atom 4474 F3 f
emilia wu
(Mon Jan 22 2007 - 16:22:39 PST)
RE: RE: RE: AMBER: PB Bomb in pb_aaradi(): No radius assigned for atom 4474 F3 f
Ray Luo
(Mon Jan 22 2007 - 18:35:06 PST)
Re: RE: RE: RE: AMBER: PB Bomb in pb_aaradi(): No radius assigned for atom 4474 F3 f
emilia wu
(Mon Jan 22 2007 - 18:45:46 PST)
RE: AMBER: PB Bomb in pb_aaradi(): No radius assigned for atom 4474 F3 f
Ray Luo
(Tue Jan 23 2007 - 10:43:23 PST)
Re: AMBER: PB Bomb in pb_aaradi(): No radius assigned for atom 4474 F3 f
David A. Case
(Wed Jan 24 2007 - 07:14:24 PST)
AMBER: (no subject)
Yusheng Dou
(Fri Jan 19 2007 - 06:51:51 PST)
AMBER:
Steve Seibold
(Fri Jan 19 2007 - 11:53:47 PST)
RE: AMBER:
Ross Walker
(Fri Jan 19 2007 - 12:47:24 PST)
AMBER: equilibration with amber5, production of MD with amber7
Carlos Javier Nuñez Aguero
(Fri Jan 19 2007 - 12:47:05 PST)
Re: AMBER: equilibration with amber5, production of MD with amber7
David A. Case
(Sun Jan 21 2007 - 21:28:46 PST)
AMBER: a question about analysis of DNA duplex after MD simulation with curves
wendy chen
(Sat Jan 20 2007 - 19:28:19 PST)
AMBER: deformation of DNA duplex after MD simulation (AMBER9)
Chengwen Chen
(Sat Jan 20 2007 - 20:28:59 PST)
AMBER: Can't run Normal Mode Analysis !!!
jitrayut jitonnom
(Sun Jan 21 2007 - 21:09:48 PST)
Fwd: AMBER: Can't run Normal Mode Analysis !!!
jitrayut jitonnom
(Mon Jan 22 2007 - 04:58:24 PST)
Re: AMBER: Can't run Normal Mode Analysis !!!
Scott Pendley
(Mon Jan 22 2007 - 09:05:26 PST)
AMBER: MM-PBSA problem: Why
jitrayut jitonnom
(Sun Jan 21 2007 - 21:20:38 PST)
Re: AMBER: MM-PBSA problem: Why
vanessa wai
(Mon Jan 22 2007 - 02:47:30 PST)
AMBER: Can't run decompose energy in MM-PBSA
jitrayut jitonnom
(Mon Jan 22 2007 - 06:20:51 PST)
RE: AMBER: Can't run decompose energy in MM-PBSA
Ray Luo
(Mon Jan 22 2007 - 09:27:03 PST)
Re: AMBER: Can't run decompose energy in MM-PBSA
vanessa wai
(Mon Jan 22 2007 - 17:37:02 PST)
AMBER: problem with distance restraints
Ed Pate
(Mon Jan 22 2007 - 11:43:58 PST)
Re: AMBER: problem with distance restraints
David A. Case
(Mon Jan 22 2007 - 12:10:12 PST)
Re: AMBER: problem with distance restraints
Ed Pate
(Mon Jan 22 2007 - 14:29:15 PST)
Re: AMBER: problem with distance restraints
David A. Case
(Mon Jan 22 2007 - 15:41:50 PST)
AMBER: united atom parameters for -NH2 and -OH groups
emine cebe
(Mon Jan 22 2007 - 11:47:12 PST)
AMBER: how much restraint ?
AYTUG TUNCEL
(Mon Jan 22 2007 - 14:09:12 PST)
AMBER: ADDIONS do not neutralize to ZERO
Akshay Patny
(Mon Jan 22 2007 - 17:19:20 PST)
RE: AMBER: ADDIONS do not neutralize to ZERO
Akshay Patny
(Mon Jan 22 2007 - 18:10:47 PST)
RE: AMBER: ADDIONS do not neutralize to ZERO
Bill Ross
(Tue Jan 23 2007 - 09:30:06 PST)
RE: AMBER: ADDIONS do not neutralize to ZERO
Akshay Patny
(Fri Jan 26 2007 - 15:38:48 PST)
RE: AMBER: ADDIONS do not neutralize to ZERO
Ross Walker
(Sun Jan 28 2007 - 20:38:25 PST)
RE: AMBER: ADDIONS do not neutralize to ZERO
Akshay Patny
(Mon Jan 29 2007 - 09:04:58 PST)
Re: AMBER: ADDIONS do not neutralize to ZERO
Chris Moth
(Mon Jan 29 2007 - 13:30:20 PST)
RE: AMBER: ADDIONS do not neutralize to ZERO
Bill Ross
(Sun Jan 28 2007 - 12:41:43 PST)
RE: AMBER: ADDIONS do not neutralize to ZERO
saurabh agrawal
(Sun Jan 28 2007 - 20:07:37 PST)
Re: AMBER: ADDIONS do not neutralize to ZERO
Bill Ross
(Mon Jan 22 2007 - 17:58:11 PST)
AMBER: Defining BOX INFO during TLEAP
Akshay Patny
(Mon Jan 22 2007 - 19:02:15 PST)
Re: AMBER: Defining BOX INFO during TLEAP
David A. Case
(Wed Jan 24 2007 - 07:04:24 PST)
RE: AMBER: Defining BOX INFO during TLEAP
Akshay Patny
(Wed Jan 24 2007 - 11:54:37 PST)
RE: AMBER: Defining BOX INFO during TLEAP
Ross Walker
(Wed Jan 24 2007 - 12:09:30 PST)
AMBER: Antechamber esp calculation
mathew k varghese
(Mon Jan 22 2007 - 20:44:42 PST)
Re: AMBER: Antechamber esp calculation
Ilyas Yildirim
(Mon Jan 22 2007 - 22:07:31 PST)
Re: AMBER: Antechamber esp calculation
FyD
(Mon Jan 22 2007 - 22:05:46 PST)
AMBER: pmemd install error
Ji-Lai Li
(Mon Jan 22 2007 - 22:59:27 PST)
AMBER: Re: pmemd install error
Ji-Lai Li
(Mon Jan 22 2007 - 23:03:33 PST)
Re: AMBER: pmemd install error
Robert Duke
(Tue Jan 23 2007 - 05:01:46 PST)
Re: AMBER: pmemd install error
David A. Case
(Fri Jan 26 2007 - 15:45:14 PST)
Re: AMBER: pmemd install error
Ji-Lai Li
(Sun Jan 28 2007 - 19:18:05 PST)
Re: AMBER: pmemd install error
Robert Duke
(Tue Jan 30 2007 - 12:24:19 PST)
AMBER: nuc.in file
deepti nayar
(Tue Jan 23 2007 - 00:21:27 PST)
Re: AMBER: nuc.in file
David A. Case
(Thu Jan 25 2007 - 11:59:12 PST)
AMBER: Fatal error: Command failed for target `test.sander.no_lmod'
Muhammad Naim Mohmad Rouyan
(Tue Jan 23 2007 - 01:50:58 PST)
Re: AMBER: Fatal error: Command failed for target `test.sander.no_lmod'
Gustavo Seabra
(Tue Jan 23 2007 - 08:54:09 PST)
AMBER: Problem with installation of the leap module of AMBER9 on Linux Suse 10.2
Cenk Andac
(Tue Jan 23 2007 - 04:03:37 PST)
Re: AMBER: Problem with installation of the leap module of AMBER9 on Linux Suse 10.2
Steven Winfield
(Tue Jan 23 2007 - 04:11:12 PST)
Re: AMBER: Problem with installation of the leap module of AMBER9 on Linux Suse 10.2
David A. Case
(Wed Jan 24 2007 - 07:09:36 PST)
RE: AMBER: Problem with installation of the leap module of AMBER9 on Linux Suse 10.2
Ross Walker
(Wed Jan 24 2007 - 09:49:20 PST)
AMBER: Molecular dynamic issues
Sophie Barbe
(Tue Jan 23 2007 - 06:34:50 PST)
Re: AMBER: Molecular dynamic issues
Chupakhin Vladimir
(Tue Jan 23 2007 - 06:50:56 PST)
Re: AMBER: Molecular dynamic issues
Carlos Simmerling
(Tue Jan 23 2007 - 06:54:24 PST)
Re: AMBER: Molecular dynamic issues
Sophie Barbe
(Wed Jan 24 2007 - 06:41:19 PST)
AMBER: coordinates ******
kepa koldo burusco
(Tue Jan 23 2007 - 08:19:54 PST)
Re: AMBER: coordinates ******
David A. Case
(Thu Jan 25 2007 - 12:08:52 PST)
AMBER: about coordinates ****** and diffusion
kepa koldo burusco
(Sun Jan 28 2007 - 09:15:57 PST)
RE: AMBER: about coordinates ****** and diffusion
Ross Walker
(Sun Jan 28 2007 - 09:28:30 PST)
Re: AMBER: about coordinates ****** and diffusion
Thomas Cheatham
(Sun Jan 28 2007 - 13:09:00 PST)
Re: AMBER: nuc.in file
Bill Ross
(Tue Jan 23 2007 - 09:42:44 PST)
AMBER: dihedral angle by Ptraj
Esther Brugger
(Tue Jan 23 2007 - 10:24:42 PST)
Re: AMBER: dihedral angle by Ptraj
Thomas Cheatham III
(Tue Jan 23 2007 - 10:41:22 PST)
Re: AMBER: dihedral angle by Ptraj
Esther Brugger
(Tue Jan 23 2007 - 15:02:00 PST)
Re: AMBER: dihedral angle by Ptraj
Thomas Cheatham
(Tue Jan 23 2007 - 19:57:47 PST)
Re: AMBER: dihedral angle by Ptraj
Esther Brugger
(Wed Jan 24 2007 - 08:02:38 PST)
Re: AMBER: dihedral angle by Ptraj
Esther Brugger
(Wed Jan 24 2007 - 09:08:15 PST)
Re: AMBER: coordinates ******
Bill Ross
(Tue Jan 23 2007 - 13:20:10 PST)
AMBER: Does amber use water density around 1 at room temperature
Li Su
(Tue Jan 23 2007 - 14:07:20 PST)
RE: AMBER: Does amber use water density around 1 at room temperature
Ross Walker
(Tue Jan 23 2007 - 15:11:41 PST)
Re: AMBER: Does amber use water density around 1 at room temperature
Li Su
(Wed Jan 24 2007 - 14:44:40 PST)
Re: AMBER: Does amber use water density around 1 at room temperature
Thomas Steinbrecher
(Wed Jan 24 2007 - 15:26:50 PST)
AMBER: mm_pbsa error
Syed Tarique Moin
(Wed Jan 24 2007 - 23:15:29 PST)
Re: AMBER: mm_pbsa error
vanessa wai
(Wed Jan 24 2007 - 23:24:43 PST)
Re: AMBER: mm_pbsa error
Syed Tarique Moin
(Thu Jan 25 2007 - 02:04:36 PST)
Re: AMBER: mm_pbsa error
Varsha Goyal
(Thu Jan 25 2007 - 08:16:31 PST)
Re: AMBER: mm_pbsa error
vanessa wai
(Thu Jan 25 2007 - 18:13:19 PST)
Re: AMBER: mm_pbsa error
Syed Tarique Moin
(Thu Jan 25 2007 - 22:04:22 PST)
Re: AMBER: mm_pbsa error
vanessa wai
(Sat Jan 27 2007 - 07:02:33 PST)
AMBER: mm_pbsa Array reference error
Syed Tarique Moin
(Thu Jan 25 2007 - 22:21:07 PST)
AMBER: Fatal error: Command failed for target `test.sander.no_lmod'
Muhammad Naim Mohmad Rouyan
(Tue Jan 23 2007 - 17:26:45 PST)
AMBER: minimization using fcap
Syed Tarique Moin
(Wed Jan 24 2007 - 01:08:40 PST)
Re: AMBER: minimization using fcap
David A. Case
(Wed Jan 24 2007 - 07:05:20 PST)
AMBER: MM-PSBA decoupling
Sergey Samsonov
(Wed Jan 24 2007 - 05:03:24 PST)
AMBER: Unable to compile amber9
Vinh To
(Wed Jan 24 2007 - 06:41:06 PST)
RE: AMBER: Unable to compile amber9
Ross Walker
(Wed Jan 24 2007 - 07:48:41 PST)
AMBER: (no subject)
Sophie Barbe
(Wed Jan 24 2007 - 09:26:20 PST)
AMBER: organic solvent : hexan octan
Sophie Barbe
(Wed Jan 24 2007 - 09:38:50 PST)
Re: AMBER: organic solvent : hexan octan
Cenk Andac
(Wed Jan 24 2007 - 10:18:19 PST)
Re: AMBER: organic solvent : hexan octan
Sophie Barbe
(Wed Jan 24 2007 - 10:28:38 PST)
Re: AMBER: organic solvent : hexan octan
Gustavo Seabra
(Wed Jan 24 2007 - 11:12:40 PST)
Re: AMBER: organic solvent : hexan octan
Cenk Andac
(Wed Jan 24 2007 - 11:37:12 PST)
Re: AMBER: organic solvent : hexan octan
FyD
(Wed Jan 24 2007 - 20:50:33 PST)
AMBER: RE: a request
Ross Walker
(Wed Jan 24 2007 - 09:57:32 PST)
AMBER: LJ potential
Steve Seibold
(Wed Jan 24 2007 - 11:44:58 PST)
Re: AMBER: LJ potential
David A. Case
(Sat Jan 27 2007 - 10:03:15 PST)
AMBER: evaluate expression
Ji-Lai Li
(Wed Jan 24 2007 - 20:14:11 PST)
AMBER: Drug Leads interaction with ds and Triplex DNA
puneet kacker
(Wed Jan 24 2007 - 21:28:41 PST)
AMBER: Fwd: a request
santanu roy
(Thu Jan 25 2007 - 00:55:32 PST)
Re: AMBER: Fwd: a request
Gustavo Seabra
(Thu Jan 25 2007 - 04:44:58 PST)
Re: AMBER: Fwd: a request
santanu roy
(Thu Jan 25 2007 - 05:15:08 PST)
Re: AMBER: Fwd: a request
Gustavo Seabra
(Thu Jan 25 2007 - 07:49:49 PST)
Re: AMBER: Fwd: a request
santanu roy
(Fri Jan 26 2007 - 22:34:15 PST)
Re: AMBER: Fwd: a request
Gustavo Seabra
(Sat Jan 27 2007 - 20:52:08 PST)
Re: AMBER: Fwd: a request
santanu roy
(Sun Jan 28 2007 - 22:43:53 PST)
Re: AMBER: Fwd: a request
Gustavo Seabra
(Mon Jan 29 2007 - 09:24:12 PST)
Re: AMBER: Fwd: a request
santanu roy
(Tue Jan 30 2007 - 02:04:46 PST)
Re: AMBER: Fwd: a request
Gustavo Seabra
(Tue Jan 30 2007 - 07:53:33 PST)
AMBER: Including Relevant Subject Lines
Ross Walker
(Tue Jan 30 2007 - 08:43:59 PST)
AMBER: error when compiling Moilview
Kailee
(Thu Jan 25 2007 - 03:31:24 PST)
Re: AMBER: error when compiling Moilview
Carlos Simmerling
(Thu Jan 25 2007 - 04:24:53 PST)
Re: AMBER: error when compiling Moilview
Kailee
(Thu Jan 25 2007 - 05:03:07 PST)
Re: AMBER: error when compiling Moilview
Gustavo Seabra
(Thu Jan 25 2007 - 07:50:57 PST)
Re: AMBER: error when compiling Moilview
Kailee
(Thu Jan 25 2007 - 08:12:09 PST)
Re: AMBER: error when compiling Moilview
Carlos Simmerling
(Thu Jan 25 2007 - 09:34:26 PST)
AMBER: Gas-phase energies (and more)
Jason K
(Thu Jan 25 2007 - 15:04:16 PST)
RE: AMBER: Gas-phase energies (and more)
Yong Duan
(Thu Jan 25 2007 - 15:58:48 PST)
Re: AMBER: Gas-phase energies (and more)
Jason K
(Fri Jan 26 2007 - 13:36:25 PST)
Re: AMBER: Gas-phase energies (and more)
Carlos Simmerling
(Sun Jan 28 2007 - 10:48:13 PST)
Re: AMBER: Gas-phase energies (and more)
David A. Case
(Sun Jan 28 2007 - 18:23:29 PST)
RE: AMBER: Gas-phase energies (and more)
Yong Duan
(Sun Jan 28 2007 - 19:43:56 PST)
RE: AMBER: Gas-phase energies (and more)
Yong Duan
(Tue Jan 30 2007 - 12:32:39 PST)
Re: AMBER: amber9 parralel compiling
Seaclear Theory
(Thu Jan 25 2007 - 18:15:05 PST)
Re: AMBER: amber9 parralel compiling
Seaclear Theory
(Fri Jan 26 2007 - 10:55:43 PST)
Re: AMBER: amber9 parralel compiling
David A. Case
(Fri Jan 26 2007 - 15:45:25 PST)
Re: AMBER: amber9 parralel compiling
Seaclear Theory
(Sat Jan 27 2007 - 10:59:23 PST)
Re: AMBER: amber9 parralel compiling
David A. Case
(Sat Jan 27 2007 - 11:28:27 PST)
Re: AMBER: amber9 parralel compiling
Seaclear Theory
(Sat Jan 27 2007 - 15:16:19 PST)
AMBER: sander bug?
Nursultan Bogatov
(Thu Jan 25 2007 - 18:28:53 PST)
RE: AMBER: sander bug?
Ross Walker
(Thu Jan 25 2007 - 23:26:55 PST)
AMBER: another sander bug?
Nursultan Bogatov
(Thu Jan 25 2007 - 22:43:13 PST)
RE: AMBER: another sander bug?
Ross Walker
(Thu Jan 25 2007 - 23:50:39 PST)
AMBER: improper dihedral
lishan yao
(Fri Jan 26 2007 - 06:42:15 PST)
Re: AMBER: improper dihedral
David A. Case
(Fri Jan 26 2007 - 08:09:55 PST)
AMBER: Regarding energy of decomposition tutorials
zachary hartman
(Fri Jan 26 2007 - 07:29:50 PST)
Fwd: AMBER: mm_pbsa Array reference error
Syed Tarique Moin
(Fri Jan 26 2007 - 10:54:56 PST)
AMBER: amber parallel compile error with g95
Seaclear Theory
(Fri Jan 26 2007 - 11:00:52 PST)
AMBER: radius of gyration
Esther Brugger
(Fri Jan 26 2007 - 12:17:37 PST)
AMBER: Is there a pmemd machine file for OSX Intel
Kevin Kelliher
(Fri Jan 26 2007 - 13:50:29 PST)
AMBER: NVT/NPT equilibration issue in GPCR-membrane simulation
Akshay Patny
(Fri Jan 26 2007 - 14:23:46 PST)
RE: AMBER: NVT/NPT equilibration issue in GPCR-membrane simulation
Ross Walker
(Fri Jan 26 2007 - 15:11:06 PST)
Re: AMBER: NVT/NPT equilibration issue in GPCR-membrane simulation
David A. Case
(Fri Jan 26 2007 - 17:45:51 PST)
RE: AMBER: NVT/NPT equilibration issue in GPCR-membrane simulation
Akshay Patny
(Fri Jan 26 2007 - 15:27:56 PST)
AMBER: Ligand-Protein Distance Restraints during MD Simulation
Akshay Patny
(Fri Jan 26 2007 - 16:06:26 PST)
Re: AMBER: Ligand-Protein Distance Restraints during MD Simulation
David Mobley
(Tue Jan 30 2007 - 09:16:19 PST)
AMBER: mm_pbsa Array reference error
Syed Tarique Moin
(Sat Jan 27 2007 - 00:02:16 PST)
Re: AMBER: mm_pbsa Array reference error
Scott Pendley
(Wed Jan 31 2007 - 09:48:36 PST)
Re: AMBER: mm_pbsa Array reference error
Syed Tarique Moin
(Wed Jan 31 2007 - 21:19:48 PST)
AMBER: yet another SANDER bug?
Miyeegombo Enkhbold
(Sat Jan 27 2007 - 19:11:22 PST)
RE: AMBER: yet another SANDER bug?
Ross Walker
(Sat Jan 27 2007 - 20:18:24 PST)
AMBER: Improper angle by Antechamber
Pavan G
(Sun Jan 28 2007 - 09:28:29 PST)
Re: AMBER: Improper angle by Antechamber
David A. Case
(Sun Jan 28 2007 - 18:20:26 PST)
Re: AMBER: radius of gyration
Bill Ross
(Sun Jan 28 2007 - 12:01:05 PST)
Re: AMBER: radius of gyration
Esther Brugger
(Mon Jan 29 2007 - 07:51:26 PST)
Re: AMBER: radius of gyration
Bill Ross
(Mon Jan 29 2007 - 11:51:39 PST)
Re: AMBER: radius of gyration
Esther Brugger
(Mon Jan 29 2007 - 13:06:00 PST)
Re: AMBER: radius of gyration
Thomas Cheatham III
(Mon Jan 29 2007 - 13:21:20 PST)
Re: AMBER: radius of gyration
Esther Brugger
(Mon Jan 29 2007 - 14:27:34 PST)
AMBER: Why there is a gap or jump if continue ntt=3 or ntt=1
Jiapu.Zhang.csiro.au
(Sun Jan 28 2007 - 22:04:34 PST)
RE: AMBER: Why there is a gap or jump if continue ntt=3 or ntt=1
Ross Walker
(Sun Jan 28 2007 - 22:16:32 PST)
RE: AMBER: Why there is a gap or jump if continue ntt=3 or ntt=1
Jiapu.Zhang.csiro.au
(Mon Jan 29 2007 - 14:08:26 PST)
AMBER: gaussian output to prepin problem
Rima Chaudhuri
(Mon Jan 29 2007 - 09:14:31 PST)
RE: AMBER: gaussian output to prepin problem
Junmei Wang
(Mon Jan 29 2007 - 18:43:56 PST)
AMBER: Antechamber Charge Calculation Method
A Box
(Mon Jan 29 2007 - 16:46:42 PST)
RE: AMBER: Antechamber Charge Calculation Method
Junmei Wang
(Mon Jan 29 2007 - 18:48:17 PST)
AMBER: MM-PBSA doubt
mathew k varghese
(Mon Jan 29 2007 - 18:12:44 PST)
RE: AMBER: MM-PBSA doubt
Ray Luo
(Mon Jan 29 2007 - 20:04:52 PST)
RE: AMBER: MM-PBSA doubt
mathew k varghese
(Mon Jan 29 2007 - 20:22:50 PST)
RE: AMBER: MM-PBSA doubt
Ray Luo
(Mon Jan 29 2007 - 21:29:01 PST)
AMBER: xleap
deepti nayar
(Tue Jan 30 2007 - 02:40:10 PST)
Re: AMBER: xleap
Chupakhin Vladimir
(Tue Jan 30 2007 - 02:55:40 PST)
Re: AMBER: xleap
Navnit Kumar Mishra
(Tue Jan 30 2007 - 03:53:11 PST)
Re: AMBER: xleap
Gustavo Seabra
(Tue Jan 30 2007 - 07:57:11 PST)
AMBER: questions about analysing LES results
Kailee
(Tue Jan 30 2007 - 09:00:40 PST)
Fwd: AMBER: Improper angle by Antechamber
Pavan G
(Tue Jan 30 2007 - 10:46:34 PST)
AMBER: Charges in TI calculations and leap
Austin B. Yongye
(Tue Jan 30 2007 - 11:35:50 PST)
Re: AMBER: Charges in TI calculations and leap
Ilyas Yildirim
(Tue Jan 30 2007 - 11:48:00 PST)
Re: AMBER: Charges in TI calculations and leap
Austin B. Yongye
(Tue Jan 30 2007 - 12:10:54 PST)
Re: AMBER: Charges in TI calculations and leap
David A. Case
(Tue Jan 30 2007 - 13:24:33 PST)
AMBER: Ptraj: watershell and distance
Esther Brugger
(Tue Jan 30 2007 - 13:26:17 PST)
Re: AMBER: Ptraj: watershell and distance
Pavan G
(Tue Jan 30 2007 - 14:01:07 PST)
AMBER: I need some constant pressure MD help
David Cerutti
(Tue Jan 30 2007 - 20:39:06 PST)
RE: AMBER: I need some constant pressure MD help
Ross Walker
(Tue Jan 30 2007 - 21:47:38 PST)
AMBER: some questions about minimization and MD of DNA duplex with sander
Chengwen Chen
(Tue Jan 30 2007 - 23:44:13 PST)
RE: AMBER: some questions about minimization and MD of DNA duplex with sander
Ross Walker
(Wed Jan 31 2007 - 08:36:27 PST)
AMBER: mm_pbsa error
Syed Tarique Moin
(Wed Jan 31 2007 - 01:19:46 PST)
AMBER: mm_pbsa error
Syed Tarique Moin
(Wed Jan 31 2007 - 01:19:02 PST)
AMBER: ptraj
khn _
(Wed Jan 31 2007 - 08:26:00 PST)
Re: AMBER: ptraj
Thomas Cheatham III
(Wed Jan 31 2007 - 16:03:00 PST)
AMBER: nonpolar solvation energy
khn _
(Wed Jan 31 2007 - 08:33:55 PST)
RE: AMBER: nonpolar solvation energy
Ray Luo
(Wed Jan 31 2007 - 11:37:34 PST)
Re: AMBER: nonpolar solvation energy
Carlos Simmerling
(Wed Jan 31 2007 - 11:54:14 PST)
Re: AMBER: format of .xyz files and pdb
Steven Winfield
(Wed Jan 31 2007 - 14:20:43 PST)
Last message date
:
Sun Feb 04 2007 - 06:07:23 PST
Archived on
: Mon Dec 23 2024 - 05:53:29 PST
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