Amber Archive Feb 2008 by thread
311 messages
:
Starting
Sun Feb 03 2008 - 06:07:30 PST,
Ending
Sun Mar 02 2008 - 06:07:44 PST
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AMBER: hbonds in first solvation shells
Ignacio J. General
(Fri Feb 01 2008 - 11:02:30 PST)
AMBER: silica slab / FF
Arturas Ziemys
(Fri Feb 01 2008 - 13:42:13 PST)
AMBER: Entropy calculations using NMODE
saurabh agrawal
(Fri Feb 01 2008 - 23:18:24 PST)
Re: AMBER: Entropy calculations using NMODE
Eddie Mende
(Sat Feb 02 2008 - 05:17:06 PST)
Re: AMBER: Entropy calculations using NMODE
saurabh agrawal
(Sat Feb 02 2008 - 05:50:13 PST)
AMBER: twin cut-off radii
Sandeep Kaushik
(Mon Feb 04 2008 - 01:17:57 PST)
Re: AMBER: twin cut-off radii
David A. Case
(Mon Feb 04 2008 - 08:09:51 PST)
Re: AMBER: twin cut-off radii
Robert Duke
(Mon Feb 04 2008 - 08:55:06 PST)
AMBER: principal component analysis
rams rams
(Mon Feb 04 2008 - 04:26:31 PST)
Re: AMBER: principal component analysis
Mark Williamson
(Mon Feb 04 2008 - 04:55:47 PST)
Re: AMBER: principal component analysis
rams rams
(Mon Feb 04 2008 - 07:45:17 PST)
RE: AMBER: principal component analysis
Marco A. Lopez
(Mon Feb 04 2008 - 11:22:36 PST)
AMBER: (no subject)
Syed Tarique Moin
(Mon Feb 04 2008 - 06:07:26 PST)
AMBER: Re: bad atom type f(fluorine) in MM-PBSA
kanazta1.yahoo.co.jp
(Mon Feb 04 2008 - 09:32:51 PST)
AMBER: time autocorrelation: ??
fatima.chami.durham.ac.uk
(Mon Feb 04 2008 - 10:05:47 PST)
AMBER: Using antechamber without AMBER program
Surasak Chunsrivirot
(Mon Feb 04 2008 - 12:58:59 PST)
Re: AMBER: Using antechamber without AMBER program
Scott Brozell
(Mon Feb 04 2008 - 13:32:11 PST)
Re: AMBER: Using antechamber without AMBER program
Surasak Chunsrivirot
(Mon Feb 04 2008 - 16:38:07 PST)
Re: AMBER: Using antechamber without AMBER program
David A. Case
(Mon Feb 04 2008 - 17:55:47 PST)
Re: AMBER: Using antechamber without AMBER program
David A. Case
(Mon Feb 04 2008 - 13:46:00 PST)
Re: AMBER: Using antechamber without AMBER program
Surasak Chunsrivirot
(Mon Feb 04 2008 - 16:22:38 PST)
Re: AMBER: Using antechamber without AMBER program
Junmei Wang
(Fri Feb 08 2008 - 07:10:27 PST)
AMBER: Amber 9 installation
Taufik Al-Sarraj
(Mon Feb 04 2008 - 13:53:23 PST)
Re: AMBER: Amber 9 installation
Yu Chen
(Mon Feb 04 2008 - 14:10:37 PST)
RE: AMBER: Amber 9 installation
Ross Walker
(Mon Feb 04 2008 - 14:21:41 PST)
AMBER: Amber 9 installation
Taufik Al-Sarraj
(Tue Feb 05 2008 - 07:14:56 PST)
AMBER: VLIMIT units; TGTFITMASK
Hopkins, Robert
(Mon Feb 04 2008 - 14:55:03 PST)
Re: AMBER: VLIMIT units; TGTFITMASK
David A. Case
(Mon Feb 04 2008 - 15:18:39 PST)
RE: AMBER: VLIMIT units; TGTFITMASK
Hopkins, Robert
(Tue Feb 05 2008 - 07:08:07 PST)
AMBER: mm_pbsa: vertex atom mismatch
Marc Lindner
(Tue Feb 05 2008 - 02:47:23 PST)
AMBER: infinite polymers in CHARMM
David A. Case
(Tue Feb 05 2008 - 08:39:45 PST)
AMBER: silica slab
Arturas Ziemys
(Tue Feb 05 2008 - 09:28:55 PST)
Re: AMBER: silica slab
David A. Case
(Tue Feb 05 2008 - 10:00:33 PST)
Re: AMBER: silica slab
Arturas Ziemys
(Tue Feb 05 2008 - 10:35:03 PST)
RE: AMBER: silica slab
Steve Spronk
(Wed Feb 06 2008 - 11:01:22 PST)
Re: AMBER: silica slab
Steven Winfield
(Wed Feb 06 2008 - 15:48:59 PST)
AMBER: Problem with energy decomposition in MMPBSA
alfredoq.mail.fcq.unc.edu.ar
(Tue Feb 05 2008 - 13:32:05 PST)
AMBER: segmentation fault while generating the covariance matrix
rams rams
(Tue Feb 05 2008 - 21:12:29 PST)
AMBER: re MD simulations of NMR structures: minimized average structure vs. ensemble member
Vidana.Epa.csiro.au
(Tue Feb 05 2008 - 22:08:19 PST)
Fwd: AMBER: (no subject)
Syed Tarique Moin
(Wed Feb 06 2008 - 00:00:23 PST)
AMBER: Query related to implicit solvent EXTDIEL
S.Sundar Raman
(Wed Feb 06 2008 - 04:03:02 PST)
Re: AMBER: Query related to implicit solvent EXTDIEL
David A. Case
(Wed Feb 06 2008 - 08:31:08 PST)
AMBER: Binary restart file !!
Sampath Koppole
(Wed Feb 06 2008 - 06:41:03 PST)
Re: AMBER: Binary restart file !!
David A. Case
(Wed Feb 06 2008 - 08:35:42 PST)
Re: AMBER: Binary restart file !!
Sampath Koppole
(Wed Feb 06 2008 - 09:01:43 PST)
AMBER: using NAB to calculate entropy
Wang, Xuelin
(Wed Feb 06 2008 - 09:52:06 PST)
Re: AMBER: using NAB to calculate entropy
David A. Case
(Wed Feb 06 2008 - 12:21:28 PST)
RE: AMBER: using NAB to calculate entropy. .
Wang, Xuelin
(Wed Feb 06 2008 - 13:00:46 PST)
Re: AMBER: using NAB to calculate entropy. .
David A. Case
(Wed Feb 06 2008 - 13:37:40 PST)
AMBER: using NAB to calculate normal modes
Z. Nevin Gerek
(Fri Feb 15 2008 - 12:24:50 PST)
Re: AMBER: using NAB to calculate normal modes
David A. Case
(Fri Feb 15 2008 - 14:17:23 PST)
RE: AMBER: using NAB to calculate normal modes. .
Wang, Xuelin
(Fri Feb 15 2008 - 14:29:55 PST)
Re: AMBER: using NAB to calculate normal modes. .
David A. Case
(Fri Feb 15 2008 - 15:54:46 PST)
Re: AMBER: using NAB to calculate normal modes
Andreas Svrcek-Seiler
(Fri Feb 15 2008 - 14:23:30 PST)
AMBER: Amber compilation with ifort
Andrey Semichaevsky
(Wed Feb 06 2008 - 13:23:26 PST)
Re: AMBER: Amber compilation with ifort
David A. Case
(Wed Feb 06 2008 - 13:47:20 PST)
RE: AMBER: Amber compilation with ifort
Ross Walker
(Wed Feb 06 2008 - 14:06:20 PST)
Re: AMBER: Amber compilation with ifort
Mark Williamson
(Wed Feb 06 2008 - 14:24:16 PST)
Re: AMBER: Amber compilation with ifort
Atro Tossavainen
(Wed Feb 06 2008 - 23:45:09 PST)
AMBER: Amber 8 Equivalent of the Amber 5 - Edit program
Mohd Farid Ismail
(Wed Feb 06 2008 - 14:07:55 PST)
RE: AMBER: Amber 8 Equivalent of the Amber 5 - Edit program
Ross Walker
(Wed Feb 06 2008 - 16:35:33 PST)
Re: AMBER: Amber 8 Equivalent of the Amber 5 - Edit program
Bill Ross
(Wed Feb 06 2008 - 16:18:38 PST)
AMBER: Problem:neturalization
jani sahil
(Wed Feb 06 2008 - 21:03:35 PST)
Re: AMBER: Problem:neturalization
David Cerutti
(Wed Feb 06 2008 - 23:42:39 PST)
AMBER: A new program for doing RESP
David Cerutti
(Wed Feb 06 2008 - 22:56:04 PST)
AMBER: disulfide bridge with ff03ua FF
Marcin Krol
(Thu Feb 07 2008 - 06:50:16 PST)
Re: AMBER: disulfide bridge with ff03ua FF
raja pandian
(Fri Feb 08 2008 - 08:17:50 PST)
Re: AMBER: disulfide bridge with ff03ua FF
Marcin Krol
(Fri Feb 08 2008 - 09:00:25 PST)
Re: AMBER: disulfide bridge with ff03ua FF
raja pandian
(Fri Feb 08 2008 - 20:17:48 PST)
Re: AMBER: disulfide bridge with ff03ua FF
Marcin Krol
(Mon Feb 11 2008 - 07:01:30 PST)
Re: AMBER: disulfide bridge with ff03ua FF
Ray Luo
(Tue Feb 12 2008 - 14:52:37 PST)
Re: AMBER: disulfide bridge with ff03ua FF
Marcin Krol
(Wed Feb 13 2008 - 07:32:18 PST)
AMBER: Deleting solute from box
Kevin Davies
(Thu Feb 07 2008 - 12:45:48 PST)
Re: AMBER: Deleting solute from box
Bill Ross
(Thu Feb 07 2008 - 13:37:27 PST)
Re: AMBER: Deleting solute from box
Kevin Davies
(Thu Feb 07 2008 - 14:21:22 PST)
RE: AMBER: QMMM with printcharges
Ross Walker
(Thu Feb 07 2008 - 14:12:17 PST)
AMBER: Error while compiling Amber
Lili Peng
(Thu Feb 07 2008 - 17:14:42 PST)
Re: AMBER: Error while compiling Amber
David A. Case
(Thu Feb 07 2008 - 17:42:31 PST)
Re: AMBER: Error while compiling Amber
Lili Peng
(Fri Feb 08 2008 - 17:51:55 PST)
RE: AMBER: Error while compiling Amber
Ross Walker
(Sat Feb 09 2008 - 09:58:59 PST)
Re: AMBER: Error while compiling Amber
Lili Peng
(Sat Feb 09 2008 - 11:11:39 PST)
RE: AMBER: Error while compiling Amber
Ross Walker
(Sat Feb 09 2008 - 11:40:41 PST)
Re: AMBER: Error while compiling Amber
chen
(Sat Feb 09 2008 - 16:00:09 PST)
Re: AMBER: Error while compiling Amber
Lili Peng
(Thu Feb 14 2008 - 01:09:22 PST)
Re: AMBER: Error while compiling Amber
Jack Lei
(Thu Feb 14 2008 - 04:50:57 PST)
Re: AMBER: Error while compiling Amber
Lili Peng
(Thu Feb 14 2008 - 09:41:18 PST)
Re: AMBER: Error while compiling Amber
Junmei Wang
(Thu Feb 14 2008 - 13:13:30 PST)
Re: AMBER: Error while compiling Amber
Lili Peng
(Thu Feb 14 2008 - 14:24:02 PST)
Re: AMBER: Error while compiling Amber
Junmei Wang
(Fri Feb 15 2008 - 09:16:47 PST)
AMBER: WARNING in readAmberTrajectory(): fsetpos() failed on when looking for box coordinates!
rams rams
(Thu Feb 07 2008 - 21:36:15 PST)
RE: AMBER: WARNING in readAmberTrajectory(): fsetpos() failed on when looking for box coordinates!
Ross Walker
(Fri Feb 08 2008 - 08:40:25 PST)
Re: AMBER: WARNING in readAmberTrajectory(): fsetpos() failed on when looking for box coordinates!
rams rams
(Sun Feb 10 2008 - 21:32:01 PST)
AMBER: Which install compiler and flags?
Sam Kaye
(Fri Feb 08 2008 - 02:07:15 PST)
RE: AMBER: Which install compiler and flags?
Ross Walker
(Fri Feb 08 2008 - 08:52:24 PST)
Re: AMBER: Which install compiler and flags?
David A. Case
(Fri Feb 08 2008 - 09:04:55 PST)
AMBER: PB Bomb in pb_atmlist(): maxnba too short
Eddie Mende
(Fri Feb 08 2008 - 05:22:07 PST)
RE: AMBER: PB Bomb in pb_atmlist(): maxnba too short
Ross Walker
(Fri Feb 08 2008 - 08:53:56 PST)
AMBER: Antechamber/mopac query
Lynn F. Ten Eyck
(Fri Feb 08 2008 - 17:15:12 PST)
AMBER: Input file for Minimization
Campbell, Patrick
(Sat Feb 09 2008 - 13:18:51 PST)
RE: AMBER: Input file for Minimization
Ross Walker
(Sun Feb 10 2008 - 10:55:34 PST)
Re: AMBER: Input file for Minimization
Carlos Simmerling
(Mon Feb 11 2008 - 09:06:42 PST)
RE: AMBER: Input file for Minimization
Campbell, Patrick
(Tue Feb 12 2008 - 09:43:34 PST)
Re: AMBER: Input file for Minimization
Carlos Simmerling
(Tue Feb 12 2008 - 09:55:18 PST)
AMBER: leaprc help
snoze pa
(Mon Feb 11 2008 - 09:50:30 PST)
Re: AMBER: leaprc help
Carlos Simmerling
(Mon Feb 11 2008 - 09:56:38 PST)
Re: AMBER: leaprc help
snoze pa
(Mon Feb 11 2008 - 13:08:14 PST)
Re: AMBER: leaprc help
Reena .....
(Mon Feb 11 2008 - 20:19:22 PST)
AMBER: mm_pbsa problem
Badry Bursulaya
(Mon Feb 11 2008 - 14:45:29 PST)
AMBER: Non-polar Parameters For MM_PBSA Calculation
Neil Bruce
(Tue Feb 12 2008 - 03:54:02 PST)
RE: AMBER: Non-polar Parameters For MM_PBSA Calculation
rluo.uci.edu
(Tue Feb 12 2008 - 15:23:40 PST)
AMBER: PKa calculation
Wang, Xuelin
(Tue Feb 12 2008 - 08:45:16 PST)
Re: AMBER: PKa calculation
David A. Case
(Tue Feb 12 2008 - 09:15:55 PST)
AMBER: RDCs in AMBER 10
Douglas Kojetin
(Tue Feb 12 2008 - 15:39:37 PST)
Re: AMBER: RDCs in AMBER 10
David A. Case
(Tue Feb 12 2008 - 15:56:52 PST)
Re: AMBER: RDCs in AMBER 10
Douglas Kojetin
(Tue Feb 12 2008 - 17:01:30 PST)
AMBER: (no subject)
Syed Tarique Moin
(Wed Feb 13 2008 - 02:55:02 PST)
RE: AMBER: (no subject)
Ross Walker
(Wed Feb 13 2008 - 07:21:52 PST)
RE: AMBER: (no subject)
Syed Tarique Moin
(Wed Feb 13 2008 - 20:58:56 PST)
AMBER: AMBER 8 problems on RHEL4/Opteron/PGF 7.0-7
Atro Tossavainen
(Wed Feb 13 2008 - 05:31:54 PST)
RE: AMBER: AMBER 8 problems on RHEL4/Opteron/PGF 7.0-7
Ross Walker
(Wed Feb 13 2008 - 07:20:07 PST)
Re: AMBER: AMBER 8 problems on RHEL4/Opteron/PGF 7.0-7
Atro Tossavainen
(Wed Feb 13 2008 - 12:27:29 PST)
Re: AMBER: AMBER 8 problems on RHEL4/Opteron/PGF 7.0-7
Atro Tossavainen
(Wed Feb 13 2008 - 12:49:57 PST)
Re: AMBER: AMBER 8 problems on RHEL4/Opteron/PGF 7.0-7
Atro Tossavainen
(Wed Feb 13 2008 - 23:02:22 PST)
AMBER: Is boiling point a good way to validate solvent paramters?
Mike Wykes
(Wed Feb 13 2008 - 06:08:25 PST)
Re: AMBER: Is boiling point a good way to validate solvent paramters?
David A. Case
(Wed Feb 13 2008 - 12:34:01 PST)
RE: AMBER: Is boiling point a good way to validate solvent paramters?
Mike Wykes
(Fri Feb 15 2008 - 07:27:35 PST)
Re: AMBER: Is boiling point a good way to validate solvent paramters?
David A. Case
(Fri Feb 15 2008 - 18:49:12 PST)
RE: AMBER: Is boiling point a good way to validate solvent paramters?
FyD
(Fri Feb 15 2008 - 23:31:14 PST)
AMBER: sander error on Make test.serial
Evan Kelly
(Wed Feb 13 2008 - 12:26:25 PST)
Re: AMBER: sander error on Make test.serial
Evan Kelly
(Wed Feb 13 2008 - 13:03:58 PST)
Re: AMBER: sander error on Make test.serial
David A. Case
(Wed Feb 13 2008 - 21:57:32 PST)
Re: AMBER: sander error on Make test.serial
Evan Kelly
(Thu Feb 14 2008 - 10:36:25 PST)
AMBER: ambmask problem
Hopkins, Robert
(Wed Feb 13 2008 - 16:42:53 PST)
Re: AMBER: ambmask problem
David A. Case
(Fri Feb 15 2008 - 09:32:46 PST)
AMBER: AMBER parameters for Chlorophyll
Sreeja Parameswaran
(Wed Feb 13 2008 - 17:31:05 PST)
Re: AMBER: AMBER parameters for Chlorophyll
mathew k varghese
(Sat Feb 16 2008 - 06:09:30 PST)
Re: AMBER: AMBER parameters for Chlorophyll
Sreeja Parameswaran
(Sat Feb 16 2008 - 06:45:32 PST)
Re: AMBER: AMBER parameters for Chlorophyll
David LeBard
(Sat Feb 16 2008 - 09:25:51 PST)
AMBER: xmgr graphics display program
Hopkins, Robert
(Wed Feb 13 2008 - 18:02:23 PST)
Re: AMBER: xmgr graphics display program
Gustavo Seabra
(Wed Feb 13 2008 - 18:29:26 PST)
Re: AMBER: xmgr graphics display program
David A. Case
(Wed Feb 13 2008 - 21:46:40 PST)
Re: AMBER: xmgr graphics display program
Junmei Wang
(Thu Feb 14 2008 - 12:04:16 PST)
Re: AMBER: xmgr graphics display program
Hopkins, Robert
(Sun Feb 17 2008 - 12:38:41 PST)
AMBER: mpd error in submitting parallel job
Lili Peng
(Thu Feb 14 2008 - 01:11:25 PST)
Re: AMBER: mpd error in submitting parallel job
Gustavo Seabra
(Thu Feb 14 2008 - 11:45:47 PST)
RE: AMBER: mpd error in submitting parallel job
Ross Walker
(Thu Feb 14 2008 - 20:11:23 PST)
AMBER: Distance restraints between com of two groups of residues
Sudha Mani Karra
(Thu Feb 14 2008 - 14:20:26 PST)
AMBER: print distance between atoms during simulation within sander itsself
Vlad Cojocaru
(Fri Feb 15 2008 - 06:06:24 PST)
AMBER: setbox for solvateoct model
Wang, Xuelin
(Fri Feb 15 2008 - 07:22:07 PST)
Re: AMBER: setbox for solvateoct model
David A. Case
(Fri Feb 15 2008 - 18:52:14 PST)
AMBER: problem with ambmask
David A. Case
(Fri Feb 15 2008 - 10:07:54 PST)
RE: AMBER: problem with ambmask
Hopkins, Robert
(Mon Feb 18 2008 - 13:57:07 PST)
AMBER: matrix correl
David Beveridge
(Sat Feb 16 2008 - 01:09:29 PST)
Re: AMBER: matrix correl
Holger Gohlke
(Mon Feb 18 2008 - 04:56:07 PST)
RE: AMBER: matrix correl
Ibrahim Moustafa
(Wed Feb 20 2008 - 09:22:53 PST)
Re: AMBER: matrix correl
Lars Skjærven
(Wed Feb 20 2008 - 09:35:30 PST)
RE: AMBER: matrix correl
Ibrahim Moustafa
(Wed Feb 20 2008 - 10:19:31 PST)
AMBER: setting perioding box in AMBER
Vijay Manickam Achari
(Sun Feb 17 2008 - 17:47:17 PST)
Re: AMBER: setting perioding box in AMBER
David A. Case
(Sun Feb 17 2008 - 18:14:31 PST)
Re: AMBER: setting perioding box in AMBER
Vijay Manickam Achari
(Mon Feb 18 2008 - 22:00:06 PST)
AMBER: TERs
Steve Seibold
(Mon Feb 18 2008 - 05:19:39 PST)
Re: AMBER: TERs
David A. Case
(Mon Feb 18 2008 - 08:49:55 PST)
Re: AMBER: TERs
Thomas Cheatham
(Mon Feb 18 2008 - 09:18:36 PST)
RE: AMBER: TERs
Steve Seibold
(Mon Feb 18 2008 - 09:51:51 PST)
AMBER: parameters of nonbonded potentials
Alexander Klenner
(Tue Feb 19 2008 - 02:43:27 PST)
Re: AMBER: parameters of nonbonded potentials
David A. Case
(Tue Feb 19 2008 - 08:05:07 PST)
AMBER: Generating RESP charges
Christopher Illingworth
(Tue Feb 19 2008 - 03:39:22 PST)
Re: AMBER: Generating RESP charges
Junmei Wang
(Tue Feb 19 2008 - 07:05:39 PST)
Re: AMBER: Generating RESP charges
Christopher Illingworth
(Tue Feb 19 2008 - 08:11:21 PST)
Re: AMBER: Generating RESP charges
Junmei Wang
(Tue Feb 19 2008 - 10:04:44 PST)
Re: AMBER: Generating RESP charges
M. L. Dodson
(Tue Feb 19 2008 - 10:38:22 PST)
Re: AMBER: Generating RESP charges
Junmei Wang
(Tue Feb 19 2008 - 11:22:59 PST)
AMBER: united atom force field: antechamber
fatima.chami.durham.ac.uk
(Tue Feb 19 2008 - 13:59:42 PST)
Re: AMBER: united atom force field: antechamber
David A. Case
(Tue Feb 19 2008 - 15:33:32 PST)
AMBER: NAB to calcuate entropy
Wang, Xuelin
(Tue Feb 19 2008 - 15:58:15 PST)
Re: AMBER: NAB to calcuate entropy
David A. Case
(Tue Feb 19 2008 - 17:33:59 PST)
Re: AMBER: NAB to calcuate entropy
Z. Nevin Gerek
(Wed Feb 20 2008 - 12:38:28 PST)
Re: AMBER: NAB to calcuate entropy
David A. Case
(Wed Feb 20 2008 - 13:36:15 PST)
RE: AMBER: NAB to calcuate entropy. .
Wang, Xuelin
(Wed Feb 20 2008 - 14:22:16 PST)
Re: AMBER: NAB to calcuate entropy. .
David A. Case
(Wed Feb 20 2008 - 15:18:32 PST)
RE: AMBER: NAB to calcuate entropy. .
Wang, Xuelin
(Wed Feb 20 2008 - 16:14:01 PST)
Re: AMBER: NAB to calcuate entropy. .
David A. Case
(Thu Feb 21 2008 - 09:10:16 PST)
RE: AMBER: NAB to calcuate entropy. .
Wang, Xuelin
(Thu Feb 21 2008 - 12:00:31 PST)
Re: AMBER: NAB to calcuate entropy. .
David A. Case
(Thu Feb 21 2008 - 12:26:06 PST)
Re: AMBER: NAB to calcuate entropy. .
David A. Case
(Thu Feb 21 2008 - 09:10:36 PST)
RE: AMBER: NAB to calcuate entropy. .
Wang, Xuelin
(Wed Feb 20 2008 - 13:21:15 PST)
Re: AMBER: NAB to calcuate entropy. .
Z. Nevin Gerek
(Wed Feb 20 2008 - 13:34:33 PST)
Re: AMBER: NAB to calcuate entropy. .
David A. Case
(Wed Feb 20 2008 - 15:16:14 PST)
AMBER: Regarding:PME and neturalization
jani sahil
(Tue Feb 19 2008 - 21:12:45 PST)
Re: AMBER: Regarding:PME and neturalization
Lars Skjærven
(Wed Feb 20 2008 - 00:39:59 PST)
AMBER: is that possible fix box size in constant pressure MD
Vijay Manickam Achari
(Tue Feb 19 2008 - 21:39:46 PST)
AMBER: Dimension of the solvated box?
abiram abiram
(Wed Feb 20 2008 - 05:54:08 PST)
Re: AMBER: Dimension of the solvated box?
David A. Case
(Wed Feb 20 2008 - 08:31:36 PST)
AMBER: saveAmberPrep in internal coordinates
Xu, Huafeng
(Wed Feb 20 2008 - 09:02:00 PST)
Re: AMBER: saveAmberPrep in internal coordinates
Junmei Wang
(Wed Feb 20 2008 - 09:43:31 PST)
AMBER: Problem with "trajout pdb"
Yi-Ming Cheng
(Wed Feb 20 2008 - 08:53:32 PST)
Re: AMBER: Problem with "trajout pdb"
Yi-Ming Cheng
(Sat Feb 23 2008 - 01:36:24 PST)
Re: AMBER: Problem with "trajout pdb"
Yi-Ming Cheng
(Sat Feb 23 2008 - 02:15:29 PST)
AMBER: XLEaP
Anamika Awasthi
(Thu Feb 21 2008 - 01:36:20 PST)
Re: AMBER: XLEaP
David A. Case
(Thu Feb 21 2008 - 08:45:08 PST)
AMBER: simulated annealing
Holly Freedman
(Thu Feb 21 2008 - 11:31:48 PST)
Re: AMBER: simulated annealing
David A. Case
(Thu Feb 21 2008 - 12:04:26 PST)
Re: AMBER: simulated annealing
Holly Freedman
(Thu Feb 21 2008 - 12:52:42 PST)
AMBER: Question: tweaking topology files to add SHAKE-constrained bonds
David Cerutti
(Thu Feb 21 2008 - 21:37:28 PST)
AMBER: (no subject)
Syed Tarique Moin
(Thu Feb 21 2008 - 22:10:36 PST)
Re: AMBER: (no subject)
Eddie Mende
(Thu Feb 21 2008 - 22:31:01 PST)
Re: AMBER: (no subject)
Eddie Mende
(Thu Feb 21 2008 - 22:33:07 PST)
RE: AMBER: (no subject)
Ibrahim Moustafa
(Fri Feb 22 2008 - 08:29:59 PST)
Re: AMBER: Question: tweaking topology files to add SHAKE-constrained bonds
David A. Case
(Fri Feb 22 2008 - 09:14:59 PST)
AMBER: problem bull linux compiling
Yannick Monclin
(Fri Feb 22 2008 - 03:22:49 PST)
Re: AMBER: problem bull linux compiling
Gustavo Seabra
(Fri Feb 22 2008 - 07:56:25 PST)
Re: AMBER: problem bull linux compiling
Yannick Monclin
(Mon Feb 25 2008 - 05:16:06 PST)
Re: AMBER: problem bull linux compiling
Gustavo Seabra
(Tue Feb 26 2008 - 09:18:27 PST)
AMBER: gaff paramters
servaas michielssens
(Fri Feb 22 2008 - 09:38:53 PST)
Re: AMBER: gaff paramters
Servaas Michielssens
(Fri Feb 22 2008 - 13:15:23 PST)
Re: AMBER: gaff paramters
Servaas Michielssens
(Fri Feb 22 2008 - 23:06:54 PST)
AMBER: More on tweaking a topology file
David Cerutti
(Fri Feb 22 2008 - 19:15:40 PST)
Re: AMBER: More on tweaking a topology file
Carlos Simmerling
(Sat Feb 23 2008 - 04:08:30 PST)
Fwd: Re: AMBER: Problem with "trajout pdb"
Yi-Ming Cheng
(Sat Feb 23 2008 - 02:21:29 PST)
AMBER: dihedral energy in amber
aneesh cna
(Sat Feb 23 2008 - 02:32:08 PST)
Re: AMBER: dihedral energy in amber
David A. Case
(Sat Feb 23 2008 - 08:37:09 PST)
Re: AMBER: parameters for silicon atom
Scott Brozell
(Mon Feb 25 2008 - 18:24:03 PST)
Re: AMBER: parameters for silicon atom
Scott Brozell
(Fri Feb 29 2008 - 00:31:03 PST)
AMBER: compiling PMEMD with MKL10.0
Alessandro Nascimento
(Tue Feb 26 2008 - 02:20:47 PST)
Re: AMBER: compiling PMEMD with MKL10.0
Francesco Pietra
(Tue Feb 26 2008 - 03:00:32 PST)
Re: AMBER: compiling PMEMD with MKL10.0
Alessandro Nascimento
(Tue Feb 26 2008 - 03:36:40 PST)
Re: AMBER: compiling PMEMD with MKL10.0
Gustavo Seabra
(Tue Feb 26 2008 - 11:46:24 PST)
Re: AMBER: compiling PMEMD with MKL10.0
Robert Duke
(Tue Feb 26 2008 - 05:22:04 PST)
AMBER: Force fields
oguz gurbulak
(Tue Feb 26 2008 - 08:12:48 PST)
Re: AMBER: Force fields
David A. Case
(Tue Feb 26 2008 - 09:31:19 PST)
AMBER: bond breaking in proteins
Eddie Mende
(Tue Feb 26 2008 - 08:16:21 PST)
Re: AMBER: bond breaking in proteins
David A. Case
(Tue Feb 26 2008 - 09:16:46 PST)
Re: AMBER: bond breaking in proteins
Gustavo Seabra
(Tue Feb 26 2008 - 11:58:22 PST)
Re: AMBER: bond breaking in proteins
Eddie Mende
(Tue Feb 26 2008 - 13:04:02 PST)
Re: AMBER: bond breaking in proteins
Eddie Mende
(Tue Feb 26 2008 - 12:49:04 PST)
AMBER: mol2 save
snoze pa
(Tue Feb 26 2008 - 09:09:18 PST)
Re: AMBER: mol2 save
Steven Winfield
(Tue Feb 26 2008 - 09:13:23 PST)
Re: AMBER: mol2 save
FyD
(Tue Feb 26 2008 - 09:38:40 PST)
Re: AMBER: mol2 save
David A. Case
(Tue Feb 26 2008 - 09:51:19 PST)
AMBER: autodock pdb to obtain parm with tleap
Henar Martínez
(Tue Feb 26 2008 - 09:23:43 PST)
Re: AMBER: autodock pdb to obtain parm with tleap
David A. Case
(Tue Feb 26 2008 - 13:34:07 PST)
Re: AMBER: autodock pdb to obtain parm with tleap
Henar Martínez
(Wed Feb 27 2008 - 02:58:09 PST)
Re: AMBER: autodock pdb to obtain parm with tleap
David A. Case
(Wed Feb 27 2008 - 10:25:02 PST)
Re: AMBER: autodock pdb to obtain parm with tleap
Henar Martínez
(Wed Feb 27 2008 - 10:30:33 PST)
Re: AMBER: autodock pdb to obtain parm with tleap
Henar Martínez
(Wed Feb 27 2008 - 03:14:58 PST)
Re: AMBER: autodock pdb to obtain parm with tleap
Junmei Wang
(Wed Feb 27 2008 - 09:42:52 PST)
Re: AMBER: autodock pdb to obtain parm with tleap
Francesco Pietra
(Wed Feb 27 2008 - 10:14:56 PST)
Re: AMBER: autodock pdb to obtain parm with tleap
Henar Martínez
(Wed Feb 27 2008 - 10:28:13 PST)
AMBER: bond breaking in proteins
Eddie Mende
(Tue Feb 26 2008 - 14:41:22 PST)
AMBER: bond breaking in proteins
Eddie Mende
(Tue Feb 26 2008 - 15:40:03 PST)
Re: AMBER: bond breaking in proteins
David A. Case
(Tue Feb 26 2008 - 16:41:26 PST)
Re: AMBER: bond breaking in proteins
Gustavo Seabra
(Wed Feb 27 2008 - 08:09:58 PST)
Re: AMBER: bond breaking in proteins
Eddie Mende
(Tue Feb 26 2008 - 14:55:20 PST)
AMBER: Using restart files
Lili Peng
(Tue Feb 26 2008 - 15:36:50 PST)
Re: AMBER: Using restart files
David A. Case
(Tue Feb 26 2008 - 16:45:34 PST)
AMBER: charge derivation for modified amino acids
Denzil Bernard
(Tue Feb 26 2008 - 17:14:44 PST)
Re: AMBER: charge derivation for modified amino acids
FyD
(Tue Feb 26 2008 - 22:35:10 PST)
AMBER: "Assuming uniform neutralizing plasma"
Evan Kelly
(Tue Feb 26 2008 - 18:01:52 PST)
Re: AMBER: "Assuming uniform neutralizing plasma"
Thomas Cheatham
(Tue Feb 26 2008 - 19:31:39 PST)
AMBER: stops writing trajectory
Swarup Gupta
(Wed Feb 27 2008 - 01:55:10 PST)
AMBER: initial command?
Anamika Awasthi
(Wed Feb 27 2008 - 04:01:51 PST)
Re: AMBER: initial command?
Carlos Simmerling
(Wed Feb 27 2008 - 04:10:01 PST)
RE: AMBER: initial command?
Steve Spronk
(Wed Feb 27 2008 - 10:45:43 PST)
RE: AMBER: initial command?
Bill Ross
(Wed Feb 27 2008 - 10:56:20 PST)
RE: AMBER: initial command?
Steve Spronk
(Fri Feb 29 2008 - 06:17:38 PST)
AMBER: Amber: shared memory vs cluster
Francesco Pietra
(Wed Feb 27 2008 - 10:08:19 PST)
Re: AMBER: Amber: shared memory vs cluster
Robert Duke
(Wed Feb 27 2008 - 10:37:31 PST)
Re: AMBER: Amber: shared memory vs cluster
Francesco Pietra
(Wed Feb 27 2008 - 13:00:32 PST)
Re: AMBER: Amber: shared memory vs cluster
Robert Duke
(Wed Feb 27 2008 - 13:20:56 PST)
AMBER: Lennard-Jones parameters
zhan chen
(Wed Feb 27 2008 - 23:41:02 PST)
Re: AMBER: Lennard-Jones parameters
Klenner.bioinformatik.uni-frankfurt.de
(Wed Feb 27 2008 - 14:11:50 PST)
Re: AMBER: Lennard-Jones parameters
Bill Ross
(Wed Feb 27 2008 - 16:09:10 PST)
Re: AMBER: Lennard-Jones parameters
Zhan Chen
(Wed Feb 27 2008 - 18:59:26 PST)
Re: AMBER: Lennard-Jones parameters
David A. Case
(Wed Feb 27 2008 - 14:16:34 PST)
AMBER: change in secondary structure during MD
Ibrahim Moustafa
(Wed Feb 27 2008 - 17:45:21 PST)
RE: AMBER: change in secondary structure during MD
Yong Duan
(Wed Feb 27 2008 - 18:13:11 PST)
RE: AMBER: change in secondary structure during MD
Ibrahim Moustafa
(Thu Feb 28 2008 - 14:12:49 PST)
RE: AMBER: change in secondary structure during MD
Fenghui Fan
(Thu Feb 28 2008 - 14:48:53 PST)
Re: AMBER: change in secondary structure during MD
Carlos Simmerling
(Thu Feb 28 2008 - 04:15:58 PST)
Re: AMBER: Lennard-Jones parameters
Bill Ross
(Thu Feb 28 2008 - 12:07:31 PST)
AMBER: DFTB/SCC-DFTB
Eddie Mende
(Wed Feb 27 2008 - 11:21:42 PST)
Re: AMBER: DFTB/SCC-DFTB
David A. Case
(Wed Feb 27 2008 - 22:15:48 PST)
AMBER: varying restraint_wt with nmropt=1
Andrew Borgert
(Wed Feb 27 2008 - 12:18:28 PST)
Re: AMBER: varying restraint_wt with nmropt=1
Daniel Cappel
(Wed Feb 27 2008 - 23:50:02 PST)
AMBER: problem with antechamber
aneesh cna
(Wed Feb 27 2008 - 21:55:53 PST)
Re: AMBER: problem with antechamber
Junmei Wang
(Thu Feb 28 2008 - 07:06:31 PST)
AMBER: problems with Replica Exchange
rebeca.mmb.pcb.ub.es
(Thu Feb 28 2008 - 04:29:23 PST)
Re: AMBER: problems with Replica Exchange
Carlos Simmerling
(Thu Feb 28 2008 - 04:46:57 PST)
Re: AMBER: problems with Replica Exchange
rebeca.mmb.pcb.ub.es
(Thu Feb 28 2008 - 07:16:27 PST)
Re: AMBER: problems with Replica Exchange
Carlos Simmerling
(Thu Feb 28 2008 - 08:14:14 PST)
Re: AMBER: problems with Replica Exchange
Carlos Simmerling
(Fri Feb 29 2008 - 10:33:59 PST)
AMBER: Plea for REMD tutorial
tushar garud
(Thu Feb 28 2008 - 05:56:42 PST)
Re: AMBER: Plea for REMD tutorial
Carlos Simmerling
(Thu Feb 28 2008 - 06:08:26 PST)
AMBER: Molecular dynamics simulation of large-scale domainmovement in a protein
Fenghui Fan
(Thu Feb 28 2008 - 06:38:23 PST)
AMBER: Liquid/Gas Phase
Rita Cassia
(Thu Feb 28 2008 - 08:34:00 PST)
AMBER: problems with 10-12 potential in amber8 sander
Amie Demmel
(Thu Feb 28 2008 - 12:59:27 PST)
Re: AMBER: problems with 10-12 potential in amber8 sander
David A. Case
(Thu Feb 28 2008 - 14:27:47 PST)
Re: AMBER: problems with 10-12 potential in amber8 sander
Amie Demmel
(Thu Feb 28 2008 - 14:53:15 PST)
Re: AMBER: problems with 10-12 potential in amber8 sander
David A. Case
(Thu Feb 28 2008 - 15:47:10 PST)
Re: AMBER: problems with 10-12 potential in amber8 sander
Amie Demmel
(Fri Feb 29 2008 - 08:23:15 PST)
Re: AMBER: problems with 10-12 potential in amber8 sander
Lynn F. Ten Eyck
(Thu Feb 28 2008 - 14:54:47 PST)
AMBER: Re: Force field parameter file for CNT
Andrey Semichaevsky
(Thu Feb 28 2008 - 13:34:01 PST)
Re: AMBER: Re: Force field parameter file for CNT
David A. Case
(Fri Feb 29 2008 - 08:19:47 PST)
Re: AMBER: Re: Force field parameter file for CNT
Andrey Semichaevsky
(Fri Feb 29 2008 - 08:38:39 PST)
AMBER: for NMR refinement
Wenyong Tong
(Thu Feb 28 2008 - 18:20:08 PST)
Re: AMBER: for NMR refinement
David A. Case
(Fri Feb 29 2008 - 10:53:59 PST)
AMBER: Visualizing Periodc box
Vijay Manickam Achari
(Thu Feb 28 2008 - 23:50:13 PST)
AMBER: Plea for REMD tutorial
tushar garud
(Fri Feb 29 2008 - 06:57:41 PST)
Re: AMBER: Plea for REMD tutorial
Carlos Simmerling
(Fri Feb 29 2008 - 09:47:47 PST)
AMBER: Re: Amber Force field for CNT: leaprc.ff23
Andrey Semichaevsky
(Fri Feb 29 2008 - 07:35:16 PST)
AMBER: Non aqueous implicit solvation
Mike Wykes
(Fri Feb 29 2008 - 10:56:01 PST)
Last message date
:
Sun Mar 02 2008 - 06:07:44 PST
Archived on
: Fri Nov 22 2024 - 05:53:38 PST
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