Amber Archive Nov 2004 by author
366 messages
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Starting
Sun Oct 31 2004 - 17:53:00 PST,
Ending
Wed Dec 01 2004 - 02:53:00 PST
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Abd Ghani Abd Aziz
Re: AMBER: ptraj problem
(Thu Nov 04 2004 - 18:39:37 PST)
AMBER: ptraj problem
(Thu Nov 04 2004 - 17:53:39 PST)
Alena Shmygelska
AMBER: increasing the maximum value of NPHB parameter
(Mon Nov 29 2004 - 21:05:08 PST)
AMBER: GO lie Amber simulation
(Sat Nov 27 2004 - 13:48:53 PST)
Andrea Tafi
AMBER: Fifth European Workshop in Drug Design
(Thu Nov 18 2004 - 04:35:02 PST)
Andreas Svrcek-Seiler
Re: AMBER: SUSE 9.1 and AMBER 8
(Tue Nov 16 2004 - 05:10:44 PST)
Re: AMBER: translational and rotational entropy
(Thu Nov 04 2004 - 23:43:00 PST)
Annette Ho
Re: AMBER: about FEP
(Tue Nov 02 2004 - 02:44:03 PST)
Annette Höglund
AMBER: FEP - GIBBS of charged sidechains using IELPER
(Sun Nov 28 2004 - 09:26:06 PST)
AMBER: FEP and charges
(Wed Nov 03 2004 - 03:59:16 PST)
Re: AMBER: about FEP
(Tue Nov 02 2004 - 03:58:27 PST)
anshul.imtech.res.in
AMBER: Protein with maximum hydrogen bonds
(Sat Nov 27 2004 - 09:23:43 PST)
AMBER: Fluctuation in temperature
(Thu Nov 04 2004 - 14:09:58 PST)
Anthony Fejes
AMBER: gaff parameter ambiguities
(Wed Nov 03 2004 - 15:16:07 PST)
arubin.unmc.edu
AMBER: Electrolyte concentrations in MD
(Fri Nov 19 2004 - 12:56:09 PST)
Bill Ross
Re: AMBER: Restrained minimization problem
(Mon Nov 29 2004 - 15:25:58 PST)
Re: AMBER: Restrained minimization problem
(Mon Nov 29 2004 - 14:31:54 PST)
Re: AMBER: nucgen problem
(Thu Nov 25 2004 - 09:08:14 PST)
Re: AMBER: build a cyclic peptide
(Wed Nov 24 2004 - 13:56:44 PST)
Re: AMBER: extracting energy from trajector?
(Wed Nov 24 2004 - 11:33:29 PST)
Re: AMBER: extracting energy from trajector?
(Wed Nov 24 2004 - 10:50:30 PST)
Re: AMBER: build a cyclic peptide
(Wed Nov 24 2004 - 10:39:15 PST)
Re: AMBER: build a cyclic peptide
(Tue Nov 23 2004 - 18:33:04 PST)
Re: AMBER: Problem with converting AMBER PREP to MOL2
(Tue Nov 23 2004 - 10:00:31 PST)
Re: AMBER: problem solved: leap compiling problem on a 64-bit machine
(Mon Nov 22 2004 - 14:37:58 PST)
Re: AMBER: LEaP compilation error on Solaris 9
(Mon Nov 22 2004 - 14:16:10 PST)
Re: AMBER: New problem on our 64bit box: xleap Segmentation fault
(Mon Nov 22 2004 - 13:27:21 PST)
Re: AMBER: calcium van der Waals parameters
(Mon Nov 22 2004 - 10:57:09 PST)
Re: AMBER: ambpdb segmentation fault
(Sun Nov 21 2004 - 21:34:13 PST)
Re: AMBER: leap compiling problem on a 64-bit machine
(Fri Nov 19 2004 - 13:14:07 PST)
Re: AMBER: calcium van der Waals parameters
(Thu Nov 18 2004 - 10:25:49 PST)
Re: AMBER: a quick question about carnal
(Fri Nov 12 2004 - 13:53:41 PST)
Re: AMBER: parameter set
(Wed Nov 10 2004 - 12:17:25 PST)
Re: AMBER: Problem with Water solute during MD
(Wed Nov 10 2004 - 07:20:23 PST)
Re: AMBER: Problem with Water solute during MD
(Tue Nov 09 2004 - 09:36:22 PST)
Re: AMBER: Minimization failure: 1cbn
(Fri Nov 05 2004 - 14:32:41 PST)
Bimo Ario Tejo
Re: AMBER: Minimization failure: 1cbn
(Fri Nov 05 2004 - 14:12:03 PST)
Re: AMBER: MD & folding
(Mon Nov 01 2004 - 23:26:09 PST)
bybaker.itsa.ucsf.edu
Re: AMBER: MD run: frozen
(Sun Nov 28 2004 - 16:39:30 PST)
AMBER: MD run: frozen
(Sat Nov 27 2004 - 22:17:36 PST)
AMBER: combine crd files
(Fri Nov 26 2004 - 14:54:43 PST)
AMBER: Re: md.out & plot
(Tue Nov 23 2004 - 22:21:10 PST)
AMBER: Re: md.out & plot
(Tue Nov 23 2004 - 17:26:36 PST)
AMBER: md.out & plot
(Tue Nov 23 2004 - 14:23:41 PST)
AMBER: Babel
(Sat Nov 13 2004 - 23:29:40 PST)
AMBER: convert .pdb to .mol2
(Sat Nov 13 2004 - 20:35:45 PST)
AMBER: MD & folding
(Tue Nov 02 2004 - 16:05:00 PST)
AMBER: MD & folding
(Tue Nov 02 2004 - 13:31:31 PST)
AMBER: MD & folding
(Mon Nov 01 2004 - 23:03:42 PST)
Cai, Yufeng
AMBER: where is the VDW radius?
(Sat Nov 06 2004 - 07:42:29 PST)
AMBER: end point contribution in MCTI
(Fri Nov 05 2004 - 06:12:11 PST)
cailliez
AMBER: amber8 parallel installation with mpich
(Tue Nov 30 2004 - 04:24:41 PST)
Re: AMBER: calcium van der Waals parameters
(Mon Nov 22 2004 - 09:10:30 PST)
AMBER: calcium van der Waals parameters
(Thu Nov 18 2004 - 08:53:23 PST)
Carlos Simmerling
Re: AMBER: MD run: frozen
(Sun Nov 28 2004 - 07:32:25 PST)
Re: AMBER: combine crd files
(Fri Nov 26 2004 - 16:03:28 PST)
Re: AMBER: Regarding Dielectric Constant in AMBER8
(Fri Nov 26 2004 - 11:24:59 PST)
Re: AMBER: Regarding Dielectric Constant in AMBER8
(Fri Nov 26 2004 - 08:55:48 PST)
Re: AMBER: Regarding Dielectric Constant in AMBER8
(Fri Nov 26 2004 - 06:02:56 PST)
Re: AMBER: Regarding Dielectric Constant in AMBER8
(Thu Nov 25 2004 - 08:45:34 PST)
Re: AMBER: Regarding Dielectric Constant in AMBER8
(Thu Nov 25 2004 - 07:50:12 PST)
Re: AMBER: build a cyclic peptide
(Wed Nov 24 2004 - 12:33:10 PST)
Re: AMBER: extracting energy from trajector?
(Wed Nov 24 2004 - 11:07:12 PST)
Re: AMBER: extracting energy from trajector?
(Wed Nov 24 2004 - 10:55:49 PST)
Re: AMBER: build a cyclic peptide
(Wed Nov 24 2004 - 10:56:57 PST)
Re: AMBER: build a cyclic peptide
(Tue Nov 23 2004 - 18:43:13 PST)
Re: AMBER: restart calculation
(Tue Nov 23 2004 - 04:45:28 PST)
Re: AMBER: sander, MD problems
(Mon Nov 22 2004 - 04:53:29 PST)
Re: AMBER: Problem with a single aminoacid as inhibitor
(Wed Nov 17 2004 - 04:43:08 PST)
Re: AMBER: Babel
(Sun Nov 14 2004 - 06:02:17 PST)
Re: AMBER: MD & folding
(Tue Nov 02 2004 - 15:03:41 PST)
Carsten Detering
AMBER: mm_pbsa + vertex atom mismatch
(Mon Nov 22 2004 - 19:01:28 PST)
Re: AMBER: mm_pbsa +fillratio
(Mon Nov 22 2004 - 16:38:13 PST)
AMBER: mm_pbsa +fillratio
(Mon Nov 22 2004 - 15:14:55 PST)
Cenk Andac
AMBER: Resend: Problem with converting AMBER8 PREP to MOL2
(Tue Nov 23 2004 - 00:57:55 PST)
AMBER: Problem with converting AMBER PREP to MOL2
(Mon Nov 22 2004 - 16:13:39 PST)
INSTALLATION GUIDE FOR IFORT AND AMBER8 IN LINUX SUSE 9.1 ....Re: AMBER: SUSE 9.1 and AMBER 8
(Tue Nov 16 2004 - 06:19:03 PST)
Chris Page
Re: AMBER: question about molsurf
(Thu Nov 25 2004 - 10:45:28 PST)
Chunhu Tan
Re: AMBER: cannot load frcmod file properly
(Wed Nov 24 2004 - 12:37:46 PST)
Re: AMBER: cannot load frcmod file properly
(Tue Nov 23 2004 - 18:12:42 PST)
Re: AMBER: TI with electrostatic decoupling
(Tue Nov 23 2004 - 11:01:48 PST)
Re: AMBER: questions on dummy atom types in FEP setup
(Mon Nov 22 2004 - 15:37:57 PST)
Re: AMBER: <dV/dL> fluctuations in TI
(Fri Nov 19 2004 - 11:07:03 PST)
Re: AMBER: <dV/dL> fluctuations in TI
(Thu Nov 18 2004 - 14:57:05 PST)
Re: AMBER: Solvation free energy of a charged molecule.
(Fri Nov 12 2004 - 10:43:32 PST)
AMBER: Solvation free energy of a charged molecule.
(Thu Nov 11 2004 - 17:53:58 PST)
Re: AMBER: FEP and charges
(Thu Nov 04 2004 - 14:23:16 PST)
Daniel Wetzler
AMBER: Problem with minimisation of an protein-inhibitor complex
(Tue Nov 23 2004 - 04:31:38 PST)
AMBER: Problem with minimisation of an protein-inhibitor complex
(Tue Nov 23 2004 - 02:31:33 PST)
Re: AMBER: Problem with a single aminoacid as inhibitor
(Wed Nov 17 2004 - 08:13:50 PST)
AMBER: Problem with a single aminoacid as inhibitor
(Wed Nov 17 2004 - 03:59:12 PST)
AMBER: Problem with a single aminoacid as inhibitor
(Wed Nov 17 2004 - 03:54:04 PST)
Re: AMBER: Problem with Water solute during MD
(Wed Nov 10 2004 - 02:19:11 PST)
AMBER: Problem with Water solute during MD
(Tue Nov 09 2004 - 05:20:13 PST)
AMBER: Problems using mm_pbsa.perl
(Fri Nov 05 2004 - 08:28:15 PST)
Darian, Eva
AMBER: Extracting torsional angles for specific conformation
(Wed Nov 03 2004 - 10:12:33 PST)
David A. Case
Re: AMBER: increasing the maximum value of NPHB parameter
(Tue Nov 30 2004 - 17:58:59 PST)
Re: AMBER: memory prolem of the nmode calculation
(Tue Nov 30 2004 - 17:40:29 PST)
Re: AMBER: Slowly releasing restraints
(Tue Nov 30 2004 - 11:55:40 PST)
Re: AMBER: Restrained minimization problem
(Mon Nov 29 2004 - 15:27:41 PST)
Re: AMBER: problem in quasih.f diagonalising matrix
(Mon Nov 29 2004 - 08:38:46 PST)
Re: AMBER: FEP - GIBBS of charged sidechains using IELPER
(Sun Nov 28 2004 - 15:28:43 PST)
Re: AMBER: GO lie Amber simulation
(Sat Nov 27 2004 - 15:37:45 PST)
Re: AMBER: About Disulfer bond
(Sat Nov 27 2004 - 10:05:28 PST)
Re: AMBER: Installation of AMBER8 on AMD cluster using pgf90
(Tue Nov 23 2004 - 23:03:55 PST)
Re: AMBER: TI with electrostatic decoupling
(Tue Nov 23 2004 - 08:42:16 PST)
Re: AMBER: restart calculation
(Tue Nov 23 2004 - 08:39:37 PST)
Re: AMBER: add dummy atoms
(Tue Nov 23 2004 - 08:27:48 PST)
Re: AMBER: langevin dynamic in sander
(Tue Nov 23 2004 - 08:21:30 PST)
Re: AMBER: Problem with converting AMBER PREP to MOL2
(Tue Nov 23 2004 - 08:12:06 PST)
Re: AMBER: generating parmfile containing topology and parameter information
(Mon Nov 22 2004 - 16:12:20 PST)
Re: AMBER: mm_pbsa +fillratio
(Mon Nov 22 2004 - 15:20:03 PST)
Re: AMBER: LEaP compilation error on Solaris 9
(Mon Nov 22 2004 - 14:02:35 PST)
Re: AMBER: Can xleap to handle homology model altogether X-ray structure?
(Tue Nov 16 2004 - 08:13:11 PST)
Re: AMBER: constant pH simulations reference
(Mon Nov 15 2004 - 18:23:42 PST)
Re: AMBER: nmode:Number of atoms in -p and -c files do not agree!
(Mon Nov 15 2004 - 13:43:15 PST)
Re: AMBER: gibbs compilation error
(Mon Nov 15 2004 - 10:18:12 PST)
Re: AMBER: nmode:Number of atoms in -p and -c files do not agree!
(Mon Nov 15 2004 - 08:10:43 PST)
Re: AMBER: Parameters for new residue?
(Sat Nov 13 2004 - 17:30:39 PST)
Re: AMBER: the energy difference between sander and nmode
(Fri Nov 12 2004 - 14:43:28 PST)
Re: AMBER: glibc version
(Fri Nov 12 2004 - 14:17:53 PST)
Re: AMBER: AMBER 4 Manual?
(Fri Nov 12 2004 - 14:10:42 PST)
Re: AMBER: Energy change for isomerization reaction of cyclic peptide
(Fri Nov 12 2004 - 14:02:10 PST)
Re: AMBER: Solvation free energy of a charged molecule.
(Fri Nov 12 2004 - 08:11:15 PST)
Re: AMBER: Solaris f77 Machine file for Amber7?
(Wed Nov 10 2004 - 16:15:32 PST)
Re: AMBER: About the parameter names
(Wed Nov 10 2004 - 13:50:58 PST)
Re: AMBER: Solaris f77 Machine file for Amber7?
(Wed Nov 10 2004 - 13:49:47 PST)
Re: AMBER: parameter set
(Wed Nov 10 2004 - 12:10:40 PST)
Re: AMBER: Solaris f77 Machine file for Amber7?
(Wed Nov 10 2004 - 09:07:13 PST)
Re: AMBER: Problem with Water solute during MD
(Wed Nov 10 2004 - 07:42:50 PST)
Re: AMBER: Building the parallel version in AMBER 8 and GIBBS
(Tue Nov 09 2004 - 21:07:05 PST)
Re: AMBER: Solaris f77 Machine file for Amber7?
(Tue Nov 09 2004 - 16:57:24 PST)
Re: AMBER: Leap
(Tue Nov 09 2004 - 09:00:38 PST)
Re: AMBER: Problem with Water solute during MD
(Tue Nov 09 2004 - 08:06:31 PST)
Re: AMBER: Amber7 compilation error
(Fri Nov 05 2004 - 08:50:01 PST)
Re: AMBER: end point contribution in MCTI
(Fri Nov 05 2004 - 08:36:31 PST)
Re: AMBER: SANDER BOMB in subroutine nonbond_list
(Wed Nov 03 2004 - 10:05:15 PST)
Re: AMBER: about FEP
(Tue Nov 02 2004 - 08:19:27 PST)
Re: AMBER: Amber7 installation error on Solaris 9
(Mon Nov 01 2004 - 13:11:24 PST)
David E. Konerding
Re: AMBER: problem loading mdcrd to VMD
(Tue Nov 30 2004 - 07:45:59 PST)
David Smith
Re: AMBER: problem loading mdcrd to VMD
(Tue Nov 30 2004 - 09:44:16 PST)
Re: AMBER: problem loading mdcrd to VMD
(Tue Nov 30 2004 - 06:19:24 PST)
Re: AMBER: extracting energy from trajector?
(Mon Nov 29 2004 - 09:39:30 PST)
Re: AMBER: extracting energy from trajector?
(Mon Nov 29 2004 - 08:54:53 PST)
Re: AMBER: extracting energy from trajector?
(Mon Nov 29 2004 - 05:04:52 PST)
Re: AMBER: extracting energy from trajector?
(Mon Nov 29 2004 - 04:37:41 PST)
Re: AMBER: extracting energy from trajector?
(Wed Nov 24 2004 - 11:29:34 PST)
david.evans.ulsop.ac.uk
Re: AMBER: nucgen problem
(Thu Nov 25 2004 - 01:04:28 PST)
Re: AMBER: Problem with converting AMBER PREP to MOL2
(Tue Nov 23 2004 - 09:06:22 PST)
Re: AMBER: Problem with a single aminoacid as inhibitor
(Wed Nov 17 2004 - 04:55:58 PST)
Re: AMBER: constructing a small colecule
(Fri Nov 05 2004 - 01:53:07 PST)
Re: AMBER: about FEP
(Tue Nov 02 2004 - 04:42:25 PST)
Re: AMBER: about FEP
(Tue Nov 02 2004 - 03:28:44 PST)
Dawsonzhu.aol.com
AMBER: Re: AMBER: problem loading mdcrd to VMD
(Tue Nov 30 2004 - 15:03:46 PST)
ding
AMBER: single strand simulation
(Tue Nov 09 2004 - 16:12:17 PST)
Dr. Noah Allen
AMBER: xfl90 and xlc "C" compiler
(Sat Nov 27 2004 - 12:05:28 PST)
Ed Pate
AMBER: saving trajectory parameters
(Sat Nov 27 2004 - 16:17:40 PST)
Emmanuel Giudice
AMBER: AMBER8 parallel job
(Sun Nov 14 2004 - 23:39:50 PST)
Eric Hu
Re: AMBER: build a cyclic peptide
(Wed Nov 24 2004 - 12:11:18 PST)
Re: AMBER: cannot load frcmod file properly
(Wed Nov 24 2004 - 10:28:02 PST)
Re: AMBER: build a cyclic peptide
(Wed Nov 24 2004 - 10:26:44 PST)
AMBER: build a cyclic peptide
(Tue Nov 23 2004 - 17:34:13 PST)
AMBER: cannot load frcmod file properly
(Tue Nov 23 2004 - 15:10:17 PST)
Re: AMBER: questions on dummy atom types in FEP setup
(Mon Nov 22 2004 - 18:22:45 PST)
AMBER: questions on dummy atom types in FEP setup
(Mon Nov 22 2004 - 13:37:54 PST)
Furse, Kristina Elisabet
Re: AMBER: Restrained minimization problem
(Mon Nov 29 2004 - 15:32:28 PST)
Re: AMBER: combine crd files
(Fri Nov 26 2004 - 15:42:09 PST)
Re: AMBER: Re: md.out & plot
(Tue Nov 23 2004 - 20:37:21 PST)
Re: AMBER: Re: md.out & plot
(Tue Nov 23 2004 - 20:29:37 PST)
FyD
Re: AMBER: Babel
(Mon Nov 15 2004 - 15:07:11 PST)
Re: AMBER: gaussian command line
(Fri Nov 05 2004 - 12:02:45 PST)
Re: AMBER: ESPGEN problems to read G03 output files
(Fri Nov 05 2004 - 11:56:52 PST)
Re: AMBER: basis set
(Fri Nov 05 2004 - 11:55:06 PST)
Greg Kellogg
AMBER: Leap
(Tue Nov 09 2004 - 08:24:43 PST)
Guillaume Bollot
AMBER: Problem to update antechamber package.
(Wed Nov 17 2004 - 05:50:49 PST)
Haijun Yang
Re: AMBER: a quick question about carnal
(Mon Nov 15 2004 - 09:31:53 PST)
AMBER: a quick question about carnal
(Fri Nov 12 2004 - 12:51:17 PST)
Hannes Barsch
AMBER: Leap & x86_64 / PGI (was: xleap solvatebox/oct problem)
(Mon Nov 29 2004 - 09:02:15 PST)
Harianto
AMBER: IBELLY
(Tue Nov 09 2004 - 12:40:58 PST)
AMBER: Minimization failure: 1cbn
(Fri Nov 05 2004 - 09:16:30 PST)
Hernán Alonso
AMBER: ESPGEN problems to read G03 output files
(Tue Nov 02 2004 - 23:03:12 PST)
hj zou
AMBER: translational and rotational entropy
(Thu Nov 04 2004 - 22:48:22 PST)
Holger Gohlke
Re: AMBER: Problems using mm_pbsa.perl
(Fri Nov 05 2004 - 08:41:39 PST)
Huang, Hai
RE: AMBER: SHAKE probelm
(Tue Nov 23 2004 - 14:01:25 PST)
RE: AMBER: SHAKE probelm
(Fri Nov 19 2004 - 14:56:54 PST)
AMBER: SHAKE probelm
(Fri Nov 19 2004 - 08:25:24 PST)
Hwankyu Lee
Re: AMBER: Installation of AMBER8 on AMD cluster using pgf90
(Wed Nov 24 2004 - 06:03:28 PST)
AMBER: Installation of AMBER8 on AMD cluster using pgf90
(Tue Nov 23 2004 - 18:41:13 PST)
Ilyas Yildirim
AMBER: SUSE 9.1 and AMBER 8
(Tue Nov 16 2004 - 03:12:16 PST)
AMBER: ifort 8.0
(Mon Nov 15 2004 - 14:41:28 PST)
Re: AMBER: xleap problems
(Fri Nov 12 2004 - 15:58:21 PST)
AMBER: About the parameter names
(Wed Nov 10 2004 - 13:20:31 PST)
AMBER: Building the parallel version in AMBER 8 and GIBBS
(Tue Nov 09 2004 - 19:03:54 PST)
Jack Lei
AMBER: RMS of energy in Minimization using SANDER
(Wed Nov 17 2004 - 10:15:31 PST)
Re: AMBER: AMBER8 compiling error under Itanium 2.
(Tue Nov 16 2004 - 09:32:23 PST)
AMBER: Can xleap handle homology model altogether with X-ray structure?
(Mon Nov 15 2004 - 15:08:44 PST)
Re: AMBER: ifort 8.0
(Mon Nov 15 2004 - 14:46:01 PST)
AMBER: Can xleap to handle homology model altogether X-ray structure?
(Mon Nov 15 2004 - 14:39:55 PST)
Jiten
Re: AMBER: ESPGEN problems to read G03 output files
(Wed Nov 03 2004 - 00:33:04 PST)
Joachim Reichelt
Re: AMBER: Can xleap to handle homology model altogether X-ray structure?
(Tue Nov 16 2004 - 09:42:02 PST)
Joe Nolan
AMBER: LEaP compilation error on Solaris 9
(Mon Nov 22 2004 - 13:21:41 PST)
Re: AMBER: Solaris f77 Machine file for Amber7?
(Thu Nov 11 2004 - 14:00:33 PST)
Re: AMBER: Solaris f77 Machine file for Amber7?
(Thu Nov 11 2004 - 10:50:06 PST)
Re: AMBER: Solaris f77 Machine file for Amber7?
(Wed Nov 10 2004 - 14:43:54 PST)
Re: AMBER: Solaris f77 Machine file for Amber7?
(Wed Nov 10 2004 - 13:11:44 PST)
Re: AMBER: Solaris f77 Machine file for Amber7?
(Wed Nov 10 2004 - 08:45:50 PST)
AMBER: Solaris f77 Machine file for Amber7?
(Tue Nov 09 2004 - 14:13:58 PST)
AMBER: Amber7 compilation error
(Fri Nov 05 2004 - 07:17:39 PST)
AMBER: Amber7 installation error on Solaris 9
(Mon Nov 01 2004 - 12:03:25 PST)
John
AMBER: time-averaged restraints
(Mon Nov 08 2004 - 12:21:51 PST)
AMBER: positive VDWAALS
(Sun Nov 07 2004 - 10:11:13 PST)
John Bushnell
Re: AMBER: problem loading mdcrd to VMD
(Tue Nov 30 2004 - 14:41:14 PST)
justin litchfield
Re: AMBER: xfl90 and xlc "C" compiler
(Sat Nov 27 2004 - 12:42:22 PST)
Re: AMBER: sander.QMMM on Mac
(Sat Nov 27 2004 - 00:29:26 PST)
AMBER: sander.QMMM on Mac
(Fri Nov 26 2004 - 15:17:35 PST)
Re: AMBER: ambpdb segmentation fault
(Sun Nov 21 2004 - 21:09:25 PST)
Re: AMBER: ambpdb segmentation fault
(Wed Nov 17 2004 - 14:46:01 PST)
AMBER: ambpdb segmentation fault
(Mon Nov 15 2004 - 18:57:14 PST)
Kara Wald
AMBER: Antechamber problems
(Tue Nov 23 2004 - 10:49:43 PST)
AMBER: Re: Amber Re: Antechamber problems
(Mon Nov 15 2004 - 13:05:19 PST)
Re: AMBER: Re: Antechamber
(Mon Nov 08 2004 - 13:49:13 PST)
AMBER: Re: Antechamber
(Thu Nov 04 2004 - 13:13:28 PST)
AMBER:
(Thu Nov 04 2004 - 13:05:42 PST)
Kepa Koldo Burusco Goñi
AMBER: sander, MD problems
(Mon Nov 22 2004 - 04:00:37 PST)
FWD: RE: AMBER: xleap problems
(Tue Nov 16 2004 - 02:56:40 PST)
AMBER: xleap problems
(Fri Nov 12 2004 - 11:33:42 PST)
Kijeong Kwac
AMBER: MD simulation at pH=1
(Wed Nov 03 2004 - 20:20:01 PST)
Knut Langsetmo
AMBER: amber 7 nmode on osx
(Mon Nov 08 2004 - 15:26:26 PST)
lucian livadaru
RE: AMBER: amber8 compilation
(Mon Nov 22 2004 - 14:22:43 PST)
AMBER: amber8 compilation
(Fri Nov 19 2004 - 10:51:00 PST)
Luis Gracia
Re: AMBER: md.out & plot
(Tue Nov 23 2004 - 14:43:33 PST)
M. L. Dodson
Re: AMBER: Problem with a single aminoacid as inhibitor
(Wed Nov 17 2004 - 07:29:26 PST)
Magne Olufsen
AMBER: mm_PBSA: problems calculating molecular surface for some snapshots
(Mon Nov 08 2004 - 01:50:39 PST)
Marc Baaden
Re: AMBER: amber8 parallel installation with mpich
(Tue Nov 30 2004 - 04:27:18 PST)
Re: AMBER: amber8 parallel installation with mpich
(Tue Nov 30 2004 - 04:00:26 PST)
Marc Perea
AMBER: SANDER BOMB in subroutine nonbond_list
(Tue Nov 02 2004 - 04:45:34 PST)
Marcin Krol
AMBER: Slowly releasing restraints
(Tue Nov 30 2004 - 03:12:37 PST)
Mark Williamson
Re: AMBER: xleap problems
(Fri Nov 12 2004 - 15:58:05 PST)
Marsita M
AMBER: question!
(Sun Nov 28 2004 - 19:01:41 PST)
mathew k varghese
AMBER: constructing a small colecule
(Thu Nov 04 2004 - 20:41:58 PST)
Michael Crowley
Re: AMBER: error message about the input file of sander
(Mon Nov 08 2004 - 22:48:03 PST)
Re: AMBER: positive VDWAALS
(Sun Nov 07 2004 - 13:51:26 PST)
MURAT CETINKAYA
Re: AMBER: extracting energy from trajector?
(Mon Nov 29 2004 - 09:20:12 PST)
Re: AMBER: extracting energy from trajector?
(Mon Nov 29 2004 - 07:31:14 PST)
Re: AMBER: extracting energy from trajector?
(Sun Nov 28 2004 - 16:59:27 PST)
AMBER: extracting energy from trajector?
(Wed Nov 24 2004 - 10:33:04 PST)
AMBER: ptraj
(Thu Nov 11 2004 - 13:19:45 PST)
myang.vitamin.uni.cc
Re: AMBER: problem loading mdcrd to VMD
(Tue Nov 30 2004 - 10:48:43 PST)
Re: AMBER: nmode:Number of atoms in -p and -c files do not agree!
(Mon Nov 15 2004 - 17:26:17 PST)
Re: AMBER: nmode:Number of atoms in -p and -c files do not agree!
(Mon Nov 15 2004 - 11:58:58 PST)
AMBER: nmode:Number of atoms in -p and -c files do not agree!
(Sun Nov 14 2004 - 18:20:25 PST)
Nelson Fonseca
AMBER: TI with electrostatic decoupling
(Tue Nov 23 2004 - 01:56:44 PST)
AMBER: <dV/dL> fluctuations in TI
(Wed Nov 17 2004 - 03:39:01 PST)
AMBER: gibbs compilation error
(Mon Nov 15 2004 - 09:41:27 PST)
Nitin Bhardwaj
AMBER: missing XaLeap_wcl file
(Wed Nov 24 2004 - 10:22:04 PST)
RE: AMBER: generating parmfile containing topology and parameter information
(Mon Nov 22 2004 - 15:53:07 PST)
AMBER: generating parmfile containing topology and parameter information
(Mon Nov 22 2004 - 13:29:00 PST)
nlxc
AMBER: Energy change for isomerization reaction of cyclic peptide
(Fri Nov 12 2004 - 10:03:00 PST)
Oliver Hucke
Re: AMBER: where is the VDW radius?
(Sat Nov 06 2004 - 11:16:00 PST)
Re: AMBER: Fluctuation in temperature
(Thu Nov 04 2004 - 10:14:36 PST)
Re: AMBER: ptraj questions
(Mon Nov 01 2004 - 09:59:06 PST)
opitz.che.udel.edu
Re: AMBER: Restrained minimization problem
(Mon Nov 29 2004 - 14:56:47 PST)
Re: AMBER: Restrained minimization problem
(Mon Nov 29 2004 - 14:50:14 PST)
AMBER: Restrained minimization problem
(Mon Nov 29 2004 - 14:11:56 PST)
AMBER: nucgen problem
(Wed Nov 24 2004 - 14:08:52 PST)
pande.vineet.fc.up.pt
Fwd: Re: AMBER: Protein with maximum hydrogen bonds
(Sat Nov 27 2004 - 06:19:31 PST)
Re: AMBER: Protein with maximum hydrogen bonds
(Sat Nov 27 2004 - 06:13:58 PST)
Re: AMBER: Regarding Dielectric Constant in AMBER8
(Fri Nov 26 2004 - 10:59:19 PST)
Re: AMBER: Regarding Dielectric Constant in AMBER8
(Fri Nov 26 2004 - 08:45:47 PST)
Re: AMBER: Regarding Dielectric Constant in AMBER8
(Fri Nov 26 2004 - 08:35:43 PST)
Re: AMBER: Regarding Dielectric Constant in AMBER8
(Fri Nov 26 2004 - 00:45:50 PST)
Re: AMBER: Regarding Dielectric Constant in AMBER8
(Thu Nov 25 2004 - 08:03:27 PST)
AMBER: Regarding Dielectric Constant in AMBER8
(Thu Nov 25 2004 - 07:22:41 PST)
Peter Trodler
AMBER: calculation of pKa values
(Mon Nov 22 2004 - 00:32:25 PST)
Phineus Markwick
AMBER: problem in quasih.f diagonalising matrix
(Mon Nov 29 2004 - 05:14:35 PST)
Piotr Cieplak
Re: AMBER: calcium van der Waals parameters
(Mon Nov 22 2004 - 11:03:57 PST)
pl
Re: AMBER: H-bonded waters selection
(Fri Nov 05 2004 - 02:42:01 PST)
AMBER: H-bonded waters selection
(Thu Nov 04 2004 - 04:41:32 PST)
qlu.notes.cc.sunysb.edu
AMBER: AMBER8 compiling error under Itanium 2.
(Mon Nov 15 2004 - 16:39:36 PST)
Ray Luo
Re: AMBER: about FEP
(Tue Nov 02 2004 - 06:05:41 PST)
Ross Walker
RE: AMBER: MD run: frozen
(Sat Nov 27 2004 - 23:00:37 PST)
RE: AMBER: saving trajectory parameters
(Sat Nov 27 2004 - 16:52:03 PST)
RE: AMBER: Protein with maximum hydrogen bonds
(Fri Nov 26 2004 - 23:15:34 PST)
RE: AMBER: sander.QMMM on Mac
(Fri Nov 26 2004 - 17:56:56 PST)
RE: AMBER: md.out & plot
(Tue Nov 23 2004 - 14:59:58 PST)
RE: AMBER: Problem with minimisation of an protein-inhibitor complex
(Tue Nov 23 2004 - 10:16:04 PST)
RE: AMBER: restart calculation
(Tue Nov 23 2004 - 10:02:12 PST)
RE: AMBER: amber8 compilation
(Mon Nov 22 2004 - 14:48:03 PST)
RE: AMBER: generating parmfile containing topology and parameter information
(Mon Nov 22 2004 - 13:46:30 PST)
RE: AMBER: New problem on our 64bit box: xleap Segmentation fault
(Mon Nov 22 2004 - 13:29:13 PST)
RE: AMBER: SHAKE probelm
(Fri Nov 19 2004 - 15:09:05 PST)
RE: AMBER: leap compiling problem on a 64-bit machine
(Fri Nov 19 2004 - 11:32:01 PST)
RE: AMBER: amber8 compilation
(Fri Nov 19 2004 - 11:20:00 PST)
RE: AMBER: Problem with carnal on linux
(Fri Nov 19 2004 - 09:36:08 PST)
RE: AMBER: SHAKE probelm
(Fri Nov 19 2004 - 09:35:18 PST)
RE: AMBER: ambpdb segmentation fault
(Wed Nov 17 2004 - 13:35:40 PST)
RE: AMBER: ifort 8.0
(Wed Nov 17 2004 - 10:39:49 PST)
RE: AMBER: RMS of energy in Minimization using SANDER
(Wed Nov 17 2004 - 10:36:25 PST)
RE: AMBER: Can parallel simulation have a nonperiodic boundary condition?
(Wed Nov 10 2004 - 16:26:27 PST)
RE: AMBER: error message about the input file of sander
(Tue Nov 09 2004 - 09:44:31 PST)
RE: AMBER: Re: Antechamber
(Thu Nov 04 2004 - 13:31:48 PST)
RE: AMBER: Fluctuation in temperature
(Thu Nov 04 2004 - 12:05:57 PST)
Ru-Zhen Li
Re: AMBER: problem loading mdcrd to VMD
(Tue Nov 30 2004 - 15:17:08 PST)
Re: AMBER: problem loading mdcrd to VMD
(Tue Nov 30 2004 - 09:05:57 PST)
AMBER: problem loading mdcrd to VMD
(Tue Nov 30 2004 - 04:59:40 PST)
AMBER: AMBER 4 Manual?
(Fri Nov 12 2004 - 09:02:16 PST)
Re: AMBER: error message about the input file of sander
(Tue Nov 09 2004 - 12:33:57 PST)
Re: AMBER: error message about the input file of sander
(Tue Nov 09 2004 - 04:49:26 PST)
Re: AMBER: error message about the input file of sander
(Tue Nov 09 2004 - 04:20:40 PST)
AMBER: error message about the input file of sander
(Mon Nov 08 2004 - 18:23:23 PST)
Sandro Fornili
AMBER: ptraj radial
(Fri Nov 05 2004 - 08:28:57 PST)
Sanjeev B.S.
Re: AMBER: Protein with maximum hydrogen bonds
(Sat Nov 27 2004 - 07:14:01 PST)
Satpal Virdee
Re: AMBER: How to compile the downloadable RESP in UNIX
(Thu Nov 18 2004 - 04:36:07 PST)
Re: AMBER: How to compile the downloadable RESP in UNIX
(Tue Nov 16 2004 - 07:58:41 PST)
AMBER: Parameters for new residue?
(Sat Nov 13 2004 - 11:34:27 PST)
Sergio E. Wong
AMBER: constant pH simulations reference
(Mon Nov 15 2004 - 17:50:16 PST)
Stefano.Pieraccini.unimi.it
Re: AMBER: problem loading mdcrd to VMD
(Tue Nov 30 2004 - 06:04:07 PST)
AMBER: langevin dynamic in sander
(Tue Nov 23 2004 - 01:33:08 PST)
Stephen.Titmuss.csiro.au
AMBER: Clustering in PTRAJ
(Tue Nov 02 2004 - 17:38:31 PST)
Sébastien Fiorucci
AMBER: Problem with carnal on linux
(Fri Nov 19 2004 - 06:13:26 PST)
Takanori TANAKA
AMBER: restraintmask problem in ptraj
(Mon Nov 15 2004 - 03:06:23 PST)
tang kwa
AMBER: add dummy atoms
(Tue Nov 23 2004 - 06:27:05 PST)
Re: AMBER: restart calculation
(Tue Nov 23 2004 - 03:44:45 PST)
AMBER: restart calculation
(Tue Nov 23 2004 - 02:31:22 PST)
Thomas E. Cheatham, III
Re: AMBER: Restrained minimization problem
(Mon Nov 29 2004 - 15:02:44 PST)
Re: AMBER: single strand simulation
(Tue Nov 09 2004 - 16:32:58 PST)
Re: AMBER: H-bonded waters selection
(Thu Nov 04 2004 - 21:05:24 PST)
Re: AMBER: ptraj problem
(Thu Nov 04 2004 - 18:13:51 PST)
Thomas Steinbrecher
Re: AMBER: <dV/dL> fluctuations in TI
(Wed Nov 17 2004 - 05:06:40 PST)
Re: Re: AMBER: about FEP
(Wed Nov 03 2004 - 00:07:51 PST)
Tomas Linhart
Re: AMBER: restart calculation
(Tue Nov 23 2004 - 02:53:29 PST)
Re: RE: AMBER: leap compiling problem on a 64-bit machine
(Sun Nov 21 2004 - 15:22:25 PST)
Re: RE: AMBER: leap compiling problem on a 64-bit machine
(Sat Nov 20 2004 - 14:15:44 PST)
Re: RE: AMBER: leap compiling problem on a 64-bit machine
(Fri Nov 19 2004 - 17:14:51 PST)
Toshifumi Yui
AMBER: restrained options
(Tue Nov 16 2004 - 08:42:22 PST)
Viktor Hornak
Re: AMBER: restraintmask problem in ptraj
(Mon Nov 15 2004 - 05:37:24 PST)
William Boxford
AMBER: Diastereoisomers of ATP
(Thu Nov 18 2004 - 07:18:42 PST)
xhu1.memphis.edu
Re: AMBER: problem solved: leap compiling problem on a 64-bit machine
(Mon Nov 22 2004 - 15:48:43 PST)
Re: AMBER: New problem on our 64bit box: xleap Segmentation fault
(Mon Nov 22 2004 - 14:38:37 PST)
Re: RE: AMBER: New problem on our 64bit box: xleap Segmentation fault
(Mon Nov 22 2004 - 14:37:03 PST)
AMBER: New problem on our 64bit box: xleap Segmentation fault
(Mon Nov 22 2004 - 13:03:48 PST)
AMBER: problem solved: leap compiling problem on a 64-bit machine
(Mon Nov 22 2004 - 12:51:28 PST)
Re: RE: AMBER: leap compiling problem on a 64-bit machine
(Sun Nov 21 2004 - 19:31:53 PST)
Re: RE: AMBER: leap compiling problem on a 64-bit machine
(Sun Nov 21 2004 - 14:52:02 PST)
Re: RE: AMBER: leap compiling problem on a 64-bit machine
(Sat Nov 20 2004 - 12:19:27 PST)
Re: RE: AMBER: leap compiling problem on a 64-bit machine
(Fri Nov 19 2004 - 15:51:58 PST)
AMBER: leap compiling problem on a 64-bit machine
(Fri Nov 19 2004 - 11:13:22 PST)
Xiao He
AMBER: About Disulfer bond
(Sat Nov 27 2004 - 00:11:00 PST)
Re: Re: AMBER: about FEP
(Tue Nov 02 2004 - 19:18:22 PST)
AMBER: about FEP
(Tue Nov 02 2004 - 00:29:43 PST)
Xiao Jian Tan
AMBER: memory prolem of the nmode calculation
(Tue Nov 30 2004 - 15:24:18 PST)
xiaowei li
AMBER: the energy difference between sander and nmode
(Fri Nov 12 2004 - 13:52:57 PST)
Yanze Zhang
Re: AMBER: How to compile the downloadable RESP in UNIX
(Thu Nov 18 2004 - 12:10:13 PST)
Re: AMBER: How to compile the downloadable RESP in UNIX
(Wed Nov 17 2004 - 15:04:57 PST)
AMBER: How to compile the downloadable RESP in UNIX
(Tue Nov 16 2004 - 07:33:03 PST)
AMBER: parameter set
(Wed Nov 10 2004 - 11:56:54 PST)
AMBER: AMBER Parameter Database
(Wed Nov 10 2004 - 07:35:32 PST)
AMBER: gaussian command line
(Thu Nov 04 2004 - 11:40:27 PST)
AMBER: basis set
(Tue Nov 02 2004 - 21:57:19 PST)
Ye Mei
Re: AMBER: AMBER8 compiling error under Itanium 2.
(Mon Nov 15 2004 - 17:46:52 PST)
Re: AMBER: convert .pdb to .mol2
(Sat Nov 13 2004 - 20:57:32 PST)
AMBER: glibc version
(Thu Nov 11 2004 - 22:04:00 PST)
AMBER: salt bridge detection
(Mon Nov 08 2004 - 18:33:21 PST)
AMBER: ESP fitting from Gaussian03 cube files
(Tue Nov 02 2004 - 01:01:40 PST)
yen li
AMBER: Implicit 4r md
(Tue Nov 30 2004 - 08:58:34 PST)
ying xiong
: AMBER: basis set
(Tue Nov 02 2004 - 22:43:52 PST)
Last message date
:
Wed Dec 01 2004 - 02:53:00 PST
Archived on
: Fri Dec 20 2024 - 05:53:25 PST
366 messages
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