Amber Archive Sep 2008 by author
454 messages
:
Starting
Wed Sep 03 2008 - 06:07:21 PDT,
Ending
Wed Oct 01 2008 - 05:12:12 PDT
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Adrian Roitberg
Re: AMBER: Buckingham potential
(Tue Sep 30 2008 - 08:14:53 PDT)
Re: AMBER: Harmonic restraint between two atoms
(Fri Sep 26 2008 - 11:42:55 PDT)
Re: AMBER: MD goes wrong
(Tue Sep 23 2008 - 20:19:19 PDT)
Re: AMBER: The forming of micelle
(Mon Sep 22 2008 - 11:20:50 PDT)
Re: AMBER: D2O
(Thu Sep 11 2008 - 08:20:07 PDT)
Re: AMBER: steered MD
(Wed Sep 10 2008 - 04:31:19 PDT)
Adrien Delmont
Re: AMBER: a question
(Mon Sep 29 2008 - 05:53:51 PDT)
AMBER: a question
(Sun Sep 28 2008 - 15:08:00 PDT)
alsarraj
Re: AMBER: xleap fails to savemol2
(Fri Sep 19 2008 - 13:59:44 PDT)
Re: AMBER: xleap fails to savemol2
(Thu Sep 18 2008 - 13:15:20 PDT)
AMBER: xleap and Sirius on ubuntu 8.04
(Thu Sep 11 2008 - 19:45:54 PDT)
Andreas Svrcek-Seiler
Re: AMBER: Buckingham potential
(Tue Sep 30 2008 - 07:47:27 PDT)
Re: AMBER: Amber GB problems on PMEMD !!
(Thu Sep 25 2008 - 08:12:59 PDT)
Re: AMBER: nmode/nab entropy calculations memory issues
(Tue Sep 16 2008 - 08:50:11 PDT)
aneesh cna
AMBER: problem with parmchck
(Tue Sep 30 2008 - 10:10:28 PDT)
Anthony Cruz
Re: AMBER: AMBER10 Compilation (SGI Altix)
(Tue Sep 16 2008 - 09:56:45 PDT)
AMBER: AMBER10 Compilation (SGI Altix)
(Mon Sep 15 2008 - 11:21:49 PDT)
AMBER: Amber10 Compilation
(Tue Sep 09 2008 - 07:26:04 PDT)
Anuradha Mittal
AMBER: solvate without translating
(Wed Sep 24 2008 - 12:38:31 PDT)
Arturas Ziemys
Re: AMBER: nmode units
(Thu Sep 04 2008 - 08:22:41 PDT)
Re: AMBER: nmode units
(Thu Sep 04 2008 - 07:26:57 PDT)
AMBER: nmode units
(Wed Sep 03 2008 - 15:28:44 PDT)
Atro Tossavainen
Re: AMBER: compilation problem
(Sat Sep 27 2008 - 12:18:13 PDT)
Re: AMBER: compilation problem
(Thu Sep 25 2008 - 12:32:06 PDT)
Re: AMBER: Some Problems With the Installation of Ambertools
(Thu Sep 18 2008 - 01:06:57 PDT)
Aust, Susanne
AMBER: MD simulation crashed
(Wed Sep 17 2008 - 06:10:17 PDT)
AW: AMBER: tleap and Zn parameter
(Wed Sep 03 2008 - 00:18:28 PDT)
AW: AMBER: tleap and Zn parameter
(Mon Sep 01 2008 - 23:46:23 PDT)
AMBER: tleap and Zn parameter
(Mon Sep 01 2008 - 01:14:53 PDT)
babak minoofar
AMBER: bis(trifluoromethylsulfonyl)imide (Tf2N)
(Sun Sep 21 2008 - 07:34:39 PDT)
baohua zhang
AMBER: MD goes wrong
(Tue Sep 23 2008 - 19:17:57 PDT)
Barbault Florent
Re: AMBER: Is there any way I can extract the potential energy of the solute with the solvent instead of the total energy in Amber?
(Sat Sep 20 2008 - 13:40:34 PDT)
AMBER: mulliken charges in QM/MM calculation
(Sun Sep 14 2008 - 01:26:25 PDT)
Beale, John
AMBER: MD at a given pH
(Fri Sep 26 2008 - 09:44:32 PDT)
AMBER: Question
(Wed Sep 17 2008 - 04:14:15 PDT)
Ben Roberts
Re: AMBER: Problem compiling Amber with Intel 10 compilers - "undefined reference" errors
(Tue Sep 09 2008 - 10:38:56 PDT)
Re: AMBER: Problem compiling Amber with Intel 10 compilers - "undefined reference" errors
(Mon Sep 08 2008 - 14:24:30 PDT)
AMBER: Another problem when trying to compile Sander in debug mode
(Mon Sep 08 2008 - 08:49:52 PDT)
AMBER: Problem compiling Amber with Intel 10 compilers - "undefined reference" errors
(Mon Sep 08 2008 - 08:43:47 PDT)
Bill Ross
Re: AMBER: Leap atoms CL and OXT do not have a type
(Tue Sep 30 2008 - 11:11:12 PDT)
Re: AMBER: Leap atoms CL and OXT do not have a type
(Mon Sep 29 2008 - 15:03:28 PDT)
Re: AMBER: Leap atoms CL and OXT do not have a type
(Mon Sep 29 2008 - 11:38:46 PDT)
Re: AMBER: 3fe-4s cluster parameter file generation
(Wed Sep 17 2008 - 11:04:32 PDT)
Re: AMBER: 3fe-4s cluster parameter file generation
(Wed Sep 17 2008 - 10:41:28 PDT)
Re: AMBER: 3fe-4s cluster parameter file generation
(Tue Sep 16 2008 - 12:36:24 PDT)
Re: AMBER: 3fe-4s cluster parameter file generation
(Tue Sep 16 2008 - 12:15:52 PDT)
Re: AMBER: 3fe-4s cluster parameter file generation
(Tue Sep 16 2008 - 10:47:00 PDT)
Re: AMBER: 3fe-4s cluster parameter file generation
(Mon Sep 15 2008 - 11:51:29 PDT)
Re: AMBER: help...ptraj does not output bounding box info
(Wed Sep 03 2008 - 09:22:18 PDT)
Carlos Simmerling
Re: AMBER: problem of use MPICHI2 to run RMED on amber10
(Tue Sep 30 2008 - 14:33:12 PDT)
Re: AMBER: problem of use MPICHI2 to run RMED on amber10
(Tue Sep 30 2008 - 14:09:59 PDT)
Re: AMBER: problem of use MPICHI2 to run RMED on amber10
(Tue Sep 30 2008 - 13:45:58 PDT)
Re: AMBER: Location of vdw radii and partial charges for ff99SB
(Mon Sep 29 2008 - 07:58:45 PDT)
Re: AMBER: Leap atoms CL and OXT do not have a type
(Sat Sep 27 2008 - 11:21:19 PDT)
Re: AMBER: Leap atoms CL and OXT do not have a type
(Sat Sep 27 2008 - 10:07:03 PDT)
Re: AMBER: Leap atoms CL and OXT do not have a type
(Sat Sep 27 2008 - 06:56:22 PDT)
Re: AMBER: Problem In Paralklel Amber
(Fri Sep 26 2008 - 04:52:00 PDT)
Re: AMBER: error while running REMD in amber9
(Thu Sep 25 2008 - 11:28:17 PDT)
Re: AMBER: error while running REMD in amber9
(Thu Sep 25 2008 - 10:51:58 PDT)
Re: AMBER: error while running REMD in amber9
(Thu Sep 25 2008 - 09:55:35 PDT)
Re: AMBER: how to enlarge the TIP3PBOX size
(Wed Sep 24 2008 - 16:01:44 PDT)
Re: AMBER: error while running REMD in amber9
(Wed Sep 24 2008 - 11:27:22 PDT)
Re: AMBER: replica exchange with amber9
(Tue Sep 23 2008 - 15:52:04 PDT)
Re: AMBER: problems with ptraj and strip waters
(Thu Sep 18 2008 - 14:29:56 PDT)
Re: AMBER: RMSD restraint in umbrella sampling
(Thu Sep 18 2008 - 14:23:01 PDT)
Re: AMBER: problem with traj and strip waters
(Thu Sep 18 2008 - 07:22:30 PDT)
Re: AMBER: problem with traj and strip waters
(Thu Sep 18 2008 - 06:19:17 PDT)
Re: AMBER: Single point energy calculations with explicit solvent.
(Thu Sep 18 2008 - 05:55:00 PDT)
Re: AMBER: Dihedral: ptraj
(Thu Sep 18 2008 - 02:32:38 PDT)
Re: AMBER: Dihedral: ptraj
(Thu Sep 18 2008 - 02:04:24 PDT)
Re: AMBER: MD simulation crashed
(Wed Sep 17 2008 - 06:27:59 PDT)
Re: AMBER: Question
(Wed Sep 17 2008 - 04:18:19 PDT)
Re: AMBER: Temperature regulation
(Tue Sep 16 2008 - 11:22:55 PDT)
Re: AMBER: top and crd files without hydrogen
(Tue Sep 16 2008 - 03:04:36 PDT)
Re: AMBER: Temperature regulation
(Mon Sep 15 2008 - 18:07:57 PDT)
Re: AMBER: Minimizaton stops after Ncyc steps only
(Mon Sep 15 2008 - 10:23:00 PDT)
AMBER: Announcement of ACS COMP Division CCG and HP award deadlines for Spring 2009 meeting
(Mon Sep 15 2008 - 09:39:58 PDT)
Re: AMBER: Hydrogen bond energies in explicit solvent.
(Mon Sep 15 2008 - 09:24:07 PDT)
Re: AMBER: Hydrogen bond energies in explicit solvent.
(Mon Sep 15 2008 - 08:54:25 PDT)
Re: AMBER: Hydrogen bond energies in explicit solvent.
(Mon Sep 15 2008 - 08:01:41 PDT)
Re: AMBER: D2O
(Thu Sep 11 2008 - 07:44:06 PDT)
Re: AMBER: steered MD
(Wed Sep 10 2008 - 04:23:51 PDT)
Re: AMBER: steered MD
(Wed Sep 10 2008 - 03:32:02 PDT)
Re: AMBER: Preparing peptides with D-amino acids
(Tue Sep 09 2008 - 18:14:34 PDT)
Re: AMBER: Preparing peptides with D-amino acids
(Tue Sep 09 2008 - 17:26:20 PDT)
Re: AMBER: Preparing peptides with D-amino acids
(Tue Sep 09 2008 - 17:28:08 PDT)
Re: AMBER: D2O
(Tue Sep 09 2008 - 16:09:41 PDT)
Re: AMBER: D2O
(Tue Sep 09 2008 - 11:08:37 PDT)
Re: AMBER: Need help... High energies for complex...
(Tue Sep 09 2008 - 06:56:00 PDT)
Re: AMBER: Need help... High energies for complex...
(Tue Sep 09 2008 - 06:46:19 PDT)
Re: AMBER: Is there a way to cluster frames of a trajectory?
(Mon Sep 08 2008 - 13:46:45 PDT)
Re: AMBER: Explanation of the energy unit ?
(Mon Sep 08 2008 - 13:16:16 PDT)
Re: AMBER: Explanation of the energy unit ?
(Mon Sep 08 2008 - 11:51:49 PDT)
Re: AMBER: Need help... High energies for complex...
(Mon Sep 08 2008 - 09:45:51 PDT)
Re: AMBER: Changes in the Amber web site
(Mon Sep 08 2008 - 08:14:33 PDT)
Re: AMBER: Explanation of the energy unit ?
(Mon Sep 08 2008 - 07:56:48 PDT)
Re: AMBER: amber minimisation
(Mon Sep 08 2008 - 05:40:44 PDT)
Re: AMBER: Need help... High energies for complex...
(Fri Sep 05 2008 - 03:07:01 PDT)
Re: AMBER: Need help... High energies for complex...
(Thu Sep 04 2008 - 09:21:42 PDT)
Re: AMBER: Need help... High energies for complex...
(Thu Sep 04 2008 - 08:41:38 PDT)
Re: AMBER: Need help... High energies for complex...
(Thu Sep 04 2008 - 07:35:02 PDT)
Re: AMBER: Need help... High energies for complex...
(Thu Sep 04 2008 - 07:33:32 PDT)
Re: AMBER: Need help... High energies for complex...
(Thu Sep 04 2008 - 03:39:48 PDT)
Re: AMBER: help...ptraj does not output bounding box info
(Wed Sep 03 2008 - 10:53:33 PDT)
Re: AMBER: help...ptraj does not output bounding box info
(Wed Sep 03 2008 - 09:23:28 PDT)
Re: AMBER: help...ptraj does not output bounding box info
(Wed Sep 03 2008 - 08:41:48 PDT)
Re: AMBER: Need help... High energies for complex...
(Wed Sep 03 2008 - 05:04:07 PDT)
Re: AMBER: Need help... High energies for complex...
(Wed Sep 03 2008 - 04:27:06 PDT)
Re: AMBER: solvent interaction in active site
(Mon Sep 01 2008 - 06:49:20 PDT)
Carra, Claudio (JSC-SK)[USRA]
AMBER: MM-PBSA problem : Missing PBCAV for PB
(Tue Sep 30 2008 - 09:49:26 PDT)
Cenk \(Jenk\) Andac
Re: AMBER: PMEMD installation problem.
(Mon Sep 08 2008 - 05:46:19 PDT)
RE: AMBER: PMEMD installation problem.
(Mon Sep 08 2008 - 02:16:38 PDT)
AMBER: PMEMD installation problem.
(Sun Sep 07 2008 - 23:58:42 PDT)
cgji
Re: AMBER: Is it possible to run PIMD simulation with QM/MM potential in Amber10?
(Sat Sep 20 2008 - 09:22:07 PDT)
chaitanya koppisetty
AMBER: nmode/nab entropy calculations without hydrogens
(Wed Sep 17 2008 - 00:47:58 PDT)
AMBER: nmode/nab entropy calculations memory issues
(Tue Sep 16 2008 - 07:58:01 PDT)
CHAMI F.
RE: AMBER: binding energy: high ELE
(Thu Sep 11 2008 - 10:24:23 PDT)
AMBER: binding energy: high ELE
(Wed Sep 10 2008 - 08:15:40 PDT)
AMBER: mm_pbsa error : Scale paremeter for PBSA
(Fri Sep 05 2008 - 10:26:46 PDT)
Charles Letner, Ph.D.
AMBER: Location of vdw radii and partial charges for ff99SB
(Mon Sep 29 2008 - 06:08:27 PDT)
chen bents
Re: AMBER: amber 9 install
(Wed Sep 17 2008 - 00:44:46 PDT)
AMBER: amber 9 install
(Tue Sep 16 2008 - 20:14:47 PDT)
AMBER: AMBER9 Compilation
(Tue Sep 16 2008 - 18:25:59 PDT)
Chih-Ying Lin
Re: AMBER: The forming of micelle (CMC)
(Wed Sep 24 2008 - 11:02:22 PDT)
Re: AMBER: The forming of micelle
(Tue Sep 23 2008 - 17:07:47 PDT)
AMBER: The size of the simulation box and the # of solute / water molecules?
(Mon Sep 22 2008 - 12:19:06 PDT)
Re: AMBER: The forming of micelle
(Mon Sep 22 2008 - 12:02:30 PDT)
AMBER: The forming of micelle
(Mon Sep 22 2008 - 11:06:24 PDT)
Re: AMBER: D2O
(Thu Sep 11 2008 - 17:51:03 PDT)
Re: AMBER: D2O
(Thu Sep 11 2008 - 07:32:03 PDT)
Re: AMBER: D2O
(Tue Sep 09 2008 - 12:59:13 PDT)
AMBER: D2O
(Tue Sep 09 2008 - 10:00:59 PDT)
AMBER: QM/MM
(Fri Sep 05 2008 - 15:33:23 PDT)
AMBER: Question: GAFF
(Fri Sep 05 2008 - 14:33:14 PDT)
Chris Moth
Re: AMBER: nmode units
(Wed Sep 03 2008 - 16:10:19 PDT)
Cristina Sisu
AMBER: Ca ions not recognized
(Tue Sep 30 2008 - 07:00:24 PDT)
AMBER: MMPBSA error
(Tue Sep 23 2008 - 03:30:38 PDT)
Daniel Oehme
Re: AMBER: MM-PBSA/NMODE in Amber 10
(Mon Sep 22 2008 - 00:13:55 PDT)
Re: AMBER: MM-PBSA/NMODE in Amber 10
(Mon Sep 15 2008 - 18:23:26 PDT)
David A. Case
Re: AMBER: Leap atoms CL and OXT do not have a type
(Sat Sep 27 2008 - 09:29:23 PDT)
Re: AMBER: Leap atoms CL and OXT do not have a type
(Sat Sep 27 2008 - 07:12:40 PDT)
Re: AMBER: compilation problem
(Sat Sep 27 2008 - 05:29:53 PDT)
Re: AMBER: Constant pH simulation force field
(Sat Sep 27 2008 - 05:10:39 PDT)
Re: AMBER: MD at a given pH
(Sat Sep 27 2008 - 04:53:56 PDT)
Re: AMBER: how to enlarge the TIP3PBOX size
(Fri Sep 26 2008 - 09:06:37 PDT)
Re: AMBER: compilation problem
(Fri Sep 26 2008 - 09:06:46 PDT)
Re: AMBER: compilation problem
(Mon Sep 22 2008 - 05:19:47 PDT)
Re: AMBER: increasing temperature smoothly
(Mon Sep 22 2008 - 04:44:02 PDT)
Re: AMBER: Is it possible to run PIMD simulation with QM/MM potential in Amber10?
(Mon Sep 22 2008 - 04:25:38 PDT)
Re: AMBER: Some Problems With the Installation of Ambertools
(Sat Sep 20 2008 - 05:38:55 PDT)
Re: AMBER: increasing temperature smoothly
(Fri Sep 19 2008 - 09:49:46 PDT)
Re: AMBER: Some Problems With the Installation of Ambertools
(Thu Sep 18 2008 - 11:35:27 PDT)
Re: AMBER: problem with traj and strip waters
(Thu Sep 18 2008 - 06:34:18 PDT)
Re: AMBER: Some Problems With the Installation of Ambertools
(Thu Sep 18 2008 - 04:10:12 PDT)
Re: AMBER: mmpbsa molsurf.c error
(Wed Sep 17 2008 - 05:10:40 PDT)
Re: AMBER: problem with editing with xleap
(Wed Sep 17 2008 - 04:30:55 PDT)
Re: AMBER: 3fe-4s cluster parameter file generation
(Wed Sep 17 2008 - 04:26:07 PDT)
Re: AMBER: 3fe-4s cluster parameter file generation
(Mon Sep 15 2008 - 07:15:12 PDT)
Re: AMBER: 3fe-4s cluster parameter file generation
(Mon Sep 15 2008 - 05:06:08 PDT)
Re: AMBER: 3fe-4s cluster parameter file generation
(Mon Sep 15 2008 - 04:15:52 PDT)
Re: AMBER: compilation problem
(Fri Sep 12 2008 - 05:04:59 PDT)
Re: AMBER: about NMR refinement in explicit solvent
(Thu Sep 11 2008 - 10:24:37 PDT)
Re: AMBER: Nonbonded FE parameter missing in frcmod.
(Thu Sep 11 2008 - 10:19:53 PDT)
Re: AMBER: binding energy: high ELE
(Thu Sep 11 2008 - 08:42:56 PDT)
Re: AMBER: NAB parameter: wcons
(Wed Sep 10 2008 - 05:19:32 PDT)
Re: AMBER: steered MD
(Wed Sep 10 2008 - 04:30:27 PDT)
Re: AMBER: Install problems
(Tue Sep 09 2008 - 12:53:18 PDT)
Re: AMBER: problem when running energy minimization with polarizable potential
(Tue Sep 09 2008 - 11:32:27 PDT)
Re: AMBER: D2O
(Tue Sep 09 2008 - 11:21:37 PDT)
Re: AMBER: Install problems
(Tue Sep 09 2008 - 04:37:16 PDT)
Re: AMBER: who can give a sample input file regarding the energy decomposition with sander?
(Mon Sep 08 2008 - 14:31:50 PDT)
Re: AMBER: Problem compiling Amber with Intel 10 compilers - "undefined reference" errors
(Mon Sep 08 2008 - 14:09:53 PDT)
Re: AMBER: Explanation of the energy unit ?
(Mon Sep 08 2008 - 13:51:50 PDT)
AMBER: Changes in the Amber web site
(Mon Sep 08 2008 - 06:25:41 PDT)
Re: AMBER: amber minimisation
(Mon Sep 08 2008 - 05:59:26 PDT)
Re: AMBER: Explanation of the energy unit ?
(Sun Sep 07 2008 - 15:12:22 PDT)
Re: AMBER: Test error in installing amber 10 using four threads on a single-cpu machine
(Sun Sep 07 2008 - 15:07:14 PDT)
Re: AMBER: Test error in installing amber 10 using four threads on a single-cpu machine
(Sun Sep 07 2008 - 05:50:57 PDT)
Re: AMBER: help...sander "segmentation fault" after 2hours of minimization
(Fri Sep 05 2008 - 08:20:40 PDT)
Re: AMBER: nmode units
(Thu Sep 04 2008 - 07:58:22 PDT)
Re: AMBER: Need help... High energies for complex...
(Thu Sep 04 2008 - 07:36:37 PDT)
Re: AMBER: tleap and Zn parameter
(Tue Sep 02 2008 - 13:41:21 PDT)
Re: AMBER: compilation problem
(Tue Sep 02 2008 - 07:32:45 PDT)
Re: AMBER: tleap and Zn parameter
(Mon Sep 01 2008 - 06:53:26 PDT)
David Watson
Re: AMBER: bis(trifluoromethylsulfonyl)imide (Tf2N)
(Sun Sep 21 2008 - 09:01:04 PDT)
Re: AMBER: Preparing peptides with D-amino acids
(Tue Sep 09 2008 - 18:04:44 PDT)
AMBER: Preparing peptides with D-amino acids
(Tue Sep 09 2008 - 17:06:58 PDT)
Deepangi Pandit
AMBER: ESURF - SASA - isolate residues
(Fri Sep 05 2008 - 07:23:23 PDT)
AMBER: MM_PBSA - SASA - Question
(Tue Sep 02 2008 - 19:10:13 PDT)
Diddo Diddens
Re: AMBER: Buckingham potential
(Tue Sep 30 2008 - 08:01:57 PDT)
AMBER: Buckingham potential
(Tue Sep 30 2008 - 07:16:47 PDT)
fatima.chami.durham.ac.uk
Re: AMBER: RE: Personal favor
(Mon Sep 01 2008 - 04:29:46 PDT)
Francesco Pietra
Re: AMBER: Leap atoms CL and OXT do not have a type
(Tue Sep 30 2008 - 03:05:13 PDT)
Re: AMBER: Leap atoms CL and OXT do not have a type
(Mon Sep 29 2008 - 13:13:05 PDT)
Re: AMBER: Leap atoms CL and OXT do not have a type
(Sat Sep 27 2008 - 12:31:51 PDT)
Re: AMBER: Leap atoms CL and OXT do not have a type
(Sat Sep 27 2008 - 11:11:49 PDT)
Re: AMBER: Leap atoms CL and OXT do not have a type
(Sat Sep 27 2008 - 08:36:47 PDT)
AMBER: Leap atoms CL and OXT do not have a type
(Sat Sep 27 2008 - 06:46:10 PDT)
AMBER: Failure of antechamber in amber10
(Sun Sep 14 2008 - 07:18:49 PDT)
FyD
Re: AMBER: to prepare pdb file fro unusual amino acid.
(Wed Sep 24 2008 - 11:36:03 PDT)
Re: AMBER: xleap fails to savemol2
(Thu Sep 04 2008 - 12:45:49 PDT)
AMBER: ptraj & imaging of velocities
(Tue Sep 02 2008 - 06:06:08 PDT)
Germain Vallverdu
Re: AMBER: increasing temperature smoothly
(Mon Sep 22 2008 - 02:00:19 PDT)
Re: AMBER: increasing temperature smoothly
(Mon Sep 22 2008 - 04:31:56 PDT)
AMBER: increasing temperature smoothly
(Fri Sep 19 2008 - 08:17:56 PDT)
Re: AMBER: steered MD
(Wed Sep 10 2008 - 05:10:49 PDT)
Re: AMBER: steered MD
(Wed Sep 10 2008 - 04:17:10 PDT)
AMBER: steered MD
(Wed Sep 10 2008 - 03:26:31 PDT)
AMBER: PMEMD and sander.MPI
(Tue Sep 09 2008 - 06:50:40 PDT)
Re: AMBER: Using AMBER forces
(Tue Sep 09 2008 - 06:48:32 PDT)
Grange Hermitage
AMBER: fix for POL3 heating problem?
(Mon Sep 22 2008 - 02:35:02 PDT)
greddy1.umd.edu
AMBER: Harmonic restraint between two atoms
(Fri Sep 26 2008 - 11:37:34 PDT)
AMBER: replica exchange with amber9
(Tue Sep 23 2008 - 15:44:24 PDT)
Guillermo Mulliert Carlín
AMBER: cluster for running amber10
(Tue Sep 30 2008 - 08:14:07 PDT)
Gustavo Seabra
Re: AMBER: FW: Amber 9
(Tue Sep 30 2008 - 12:12:19 PDT)
Re: AMBER: The forming of micelle (CMC)
(Wed Sep 24 2008 - 15:00:45 PDT)
Re: AMBER: problems with ptraj and strip waters
(Thu Sep 18 2008 - 16:18:44 PDT)
Re: AMBER: xleap and Sirius on ubuntu 8.04
(Thu Sep 11 2008 - 20:13:58 PDT)
Re: AMBER: Explanation of the energy unit ?
(Mon Sep 08 2008 - 12:07:28 PDT)
Re: AMBER: Install problems
(Mon Sep 08 2008 - 11:58:02 PDT)
haixiao jin
AMBER: mmpbsa errors in redoing the tutorial A3:MMPBSA
(Sat Sep 27 2008 - 00:45:06 PDT)
Re: AMBER: MM_PBSA snapshot statistic calc problem
(Fri Sep 26 2008 - 23:40:20 PDT)
Re: AMBER: Test error in installing amber 10 using four threads on a single-cpu machine
(Sun Sep 07 2008 - 06:26:31 PDT)
AMBER: Test error in installing amber 10 using four threads on a single-cpu machine
(Sun Sep 07 2008 - 02:42:10 PDT)
Hakkim Boy
Re: AMBER: to prepare pdb file fro unusual amino acid.
(Wed Sep 24 2008 - 07:41:33 PDT)
Re: AMBER: 3fe-4s cluster parameter file generation
(Mon Sep 15 2008 - 05:30:04 PDT)
Hannes Kopitz
Re: RE: AMBER: mmpbsa
(Wed Sep 03 2008 - 02:15:19 PDT)
Re: AMBER: mmpbsa
(Tue Sep 02 2008 - 11:15:47 PDT)
Harianto Tjong
AMBER: adding new potential function
(Wed Sep 17 2008 - 12:12:34 PDT)
Harry (Yicun) Ni
AMBER: question about dihedral angles
(Mon Sep 15 2008 - 07:41:31 PDT)
Hashem Taha
AMBER: Dihedral Drive
(Sat Sep 20 2008 - 00:31:13 PDT)
Henrik Öberg
RE: AMBER: mmpbsa
(Wed Sep 03 2008 - 00:30:43 PDT)
RE: AMBER: mmpbsa
(Tue Sep 02 2008 - 07:18:56 PDT)
AMBER: mmpbsa
(Tue Sep 02 2008 - 04:36:55 PDT)
Ilyas Yildirim
Re: AMBER: molecule drift out of water box?
(Sun Sep 21 2008 - 19:52:17 PDT)
Re: AMBER: molecule drift out of water box?
(Sun Sep 21 2008 - 13:45:45 PDT)
Re: AMBER: Dihedral Drive
(Sat Sep 20 2008 - 01:07:07 PDT)
Re: AMBER: molecule drift out of water box?
(Fri Sep 19 2008 - 17:00:03 PDT)
Re: AMBER: question about dihedral angles
(Mon Sep 15 2008 - 08:10:55 PDT)
Re: AMBER: mmpbsa molsurf.c error
(Thu Sep 04 2008 - 17:45:58 PDT)
AMBER: mmpbsa molsurf.c error
(Wed Sep 03 2008 - 16:56:59 PDT)
Jed W Pitera
Re: AMBER: XLF problem in compiling AMBER8 on IBM PPC64 SUSE
(Tue Sep 30 2008 - 11:56:18 PDT)
Jerome.GOLEBIOWSKI.unice.fr
Re: AMBER: Re: reaction coordinate in umbrella sampling
(Tue Sep 23 2008 - 00:33:43 PDT)
john smith
Re: AMBER: compilation problem
(Mon Sep 22 2008 - 04:59:17 PDT)
Re: AMBER: compilation problem
(Thu Sep 11 2008 - 22:51:22 PDT)
Re: AMBER: compilation problem
(Tue Sep 02 2008 - 03:03:14 PDT)
Jose Borreguero
AMBER: multiple heat baths in a single simulation?
(Sun Sep 21 2008 - 16:09:41 PDT)
AMBER: help can amber couple part of the system to different heat bath?
(Thu Sep 18 2008 - 14:09:27 PDT)
AMBER: help can amber couple part of the system to different heat bath?
(Thu Sep 18 2008 - 14:09:23 PDT)
Re: AMBER: Help...which commands in ptraj does clustering by RMSD?
(Thu Sep 11 2008 - 15:01:02 PDT)
Re: AMBER: Help...which commands in ptraj does clustering by RMSD?
(Thu Sep 11 2008 - 14:12:00 PDT)
AMBER: Help...which commands in ptraj does clustering by RMSD?
(Thu Sep 11 2008 - 13:28:49 PDT)
Re: AMBER: help...sander "segmentation fault" after 2hours of minimization
(Fri Sep 05 2008 - 09:26:23 PDT)
Re: AMBER: help...sander "segmentation fault" after 2hours of minimization
(Fri Sep 05 2008 - 08:43:39 PDT)
AMBER: help...sander "segmentation fault" after 2hours of minimization
(Fri Sep 05 2008 - 08:06:42 PDT)
AMBER: help... structure factors from amber trajectories?
(Thu Sep 04 2008 - 10:35:57 PDT)
Re: AMBER: help...ptraj does not output bounding box info
(Wed Sep 03 2008 - 11:28:02 PDT)
Re: AMBER: help...ptraj does not output bounding box info
(Wed Sep 03 2008 - 10:26:57 PDT)
Re: AMBER: help...ptraj does not output bounding box info
(Wed Sep 03 2008 - 09:12:30 PDT)
AMBER: help...ptraj does not output bounding box info
(Wed Sep 03 2008 - 08:39:41 PDT)
julliane Yoneda
Re: AMBER: Temperature regulation
(Tue Sep 16 2008 - 16:34:52 PDT)
Re: AMBER: Temperature regulation
(Tue Sep 16 2008 - 16:36:01 PDT)
Re: AMBER: Temperature regulation
(Tue Sep 16 2008 - 11:05:27 PDT)
AMBER: Temperature regulation
(Mon Sep 15 2008 - 17:48:50 PDT)
Lachele Foley (Lists)
Re: AMBER: Need help... High energies for complex...
(Tue Sep 09 2008 - 07:09:06 PDT)
Re: AMBER: No bond and angle parameters for - -?????
(Thu Sep 04 2008 - 07:03:08 PDT)
Lars Skjærven
Re: AMBER: ptraj & imaging of velocities
(Tue Sep 02 2008 - 06:15:49 PDT)
AMBER: ptraj and netcdf with AmberTools1.2 ?
(Mon Sep 01 2008 - 02:11:23 PDT)
liu junjun
Re: AMBER: XLF problem in compiling AMBER8 on IBM PPC64 SUSE
(Tue Sep 30 2008 - 12:17:26 PDT)
Re: AMBER: XLF problem in compiling AMBER8 on IBM PPC64 SUSE
(Tue Sep 30 2008 - 11:48:11 PDT)
AMBER: XLF problem in compiling AMBER8 on IBM PPC64 SUSE
(Tue Sep 30 2008 - 11:07:09 PDT)
M. L. Dodson
Re: AMBER: Install problems
(Tue Sep 09 2008 - 11:41:07 PDT)
Majeed Shaik
RE: AMBER: Cutoff list exceeds largest sphere in unit cell
(Thu Sep 11 2008 - 04:49:09 PDT)
RE: AMBER: Cutoff list exceeds largest sphere in unit cell
(Wed Sep 10 2008 - 10:42:58 PDT)
RE: AMBER: Cutoff list exceeds largest sphere in unit cell
(Wed Sep 10 2008 - 10:44:52 PDT)
AMBER: Cutoff list exceeds largest sphere in unit cell
(Wed Sep 10 2008 - 07:54:58 PDT)
RE: AMBER: Changes in the Amber web site
(Mon Sep 08 2008 - 08:07:21 PDT)
AMBER: amber minimisation
(Mon Sep 08 2008 - 05:32:17 PDT)
Manikandan Chandrasekaran
Re: AMBER: compilation problem
(Fri Sep 26 2008 - 20:51:50 PDT)
Re: AMBER: Some Problems With the Installation of Ambertools
(Fri Sep 19 2008 - 12:49:41 PDT)
Re: AMBER: Some Problems With the Installation of Ambertools
(Thu Sep 18 2008 - 09:43:39 PDT)
AMBER: Some Problems With the Installation of Ambertools
(Wed Sep 17 2008 - 16:21:06 PDT)
Marek Malý
Re: AMBER: Explanation of the energy unit ?
(Wed Sep 10 2008 - 03:24:17 PDT)
Re: AMBER: Explanation of the energy unit ?
(Mon Sep 08 2008 - 13:19:47 PDT)
Re: AMBER: Explanation of the energy unit ?
(Mon Sep 08 2008 - 13:15:43 PDT)
Re: AMBER: Explanation of the energy unit ?
(Mon Sep 08 2008 - 12:02:37 PDT)
Re: AMBER: Explanation of the energy unit ?
(Mon Sep 08 2008 - 08:01:10 PDT)
AMBER: Explanation of the energy unit ?
(Sat Sep 06 2008 - 07:29:06 PDT)
Marisa Frechero
RE: AMBER: Install problems
(Mon Sep 08 2008 - 11:35:08 PDT)
AMBER:
(Wed Sep 03 2008 - 11:38:06 PDT)
Mark Williamson
Re: AMBER: xleap fails to savemol2
(Mon Sep 22 2008 - 11:43:35 PDT)
Re: AMBER: Install problems
(Tue Sep 09 2008 - 11:16:38 PDT)
Re: AMBER: Install problems
(Mon Sep 08 2008 - 16:56:35 PDT)
Markus Kaukonen
AMBER: Comment: constant pH, non-integer charge -> weird error
(Sun Sep 14 2008 - 00:51:58 PDT)
AMBER: resp and 99999
(Thu Sep 04 2008 - 23:13:10 PDT)
Matthew Peterson
Re: AMBER: mmpbsa
(Tue Sep 02 2008 - 06:57:24 PDT)
meandme meandme
AMBER: amber 10 parallel cpu utlization
(Mon Sep 15 2008 - 10:30:49 PDT)
AMBER: parallel amber 10 sander.MPI (low cpu utilization)
(Mon Sep 15 2008 - 10:27:06 PDT)
mhamed.birzeit.edu
AMBER: FW: Amber 9
(Tue Sep 30 2008 - 10:22:07 PDT)
moitrayee.mbu.iisc.ernet.in
Re: AMBER: 3fe-4s cluster parameter file generation
(Tue Sep 16 2008 - 23:43:49 PDT)
Re: AMBER: 3fe-4s cluster parameter file generation
(Tue Sep 16 2008 - 11:12:24 PDT)
Re: AMBER: 3fe-4s cluster parameter file generation
(Tue Sep 16 2008 - 11:01:59 PDT)
AMBER: problem with editing with xleap
(Tue Sep 16 2008 - 08:50:38 PDT)
Re: AMBER: 3fe-4s cluster parameter file generation
(Tue Sep 16 2008 - 04:39:25 PDT)
Re: AMBER: 3fe-4s cluster parameter file generation
(Mon Sep 15 2008 - 08:36:31 PDT)
Re: AMBER: 3fe-4s cluster parameter file generation
(Mon Sep 15 2008 - 04:46:56 PDT)
Re: AMBER: 3fe-4s cluster parameter file generation
(Mon Sep 15 2008 - 04:20:19 PDT)
AMBER: 3fe-4s cluster parameter file generation
(Sun Sep 14 2008 - 23:35:39 PDT)
Re: AMBER: Nonbonded FE parameter missing in frcmod.
(Thu Sep 11 2008 - 10:16:34 PDT)
AMBER: Nonbonded FE parameter missing in frcmod.
(Thu Sep 11 2008 - 05:22:58 PDT)
AMBER: antechamber cannot generate prep files
(Thu Sep 04 2008 - 04:47:17 PDT)
mon_sharma.research.iiit.ac.in
AMBER: Minimizaton stops after Ncyc steps only
(Mon Sep 15 2008 - 09:34:22 PDT)
Myunggi Yi
Re: AMBER: Temperature regulation
(Tue Sep 16 2008 - 14:28:21 PDT)
Neha Gandhi
Re: AMBER: Need help... High energies for complex...
(Wed Sep 03 2008 - 05:41:16 PDT)
Re: AMBER: mmpbsa
(Tue Sep 02 2008 - 05:49:33 PDT)
Nicolas Lux Fawzi
Re: AMBER: D2O
(Mon Sep 15 2008 - 09:54:17 PDT)
nurith.rice.edu
AMBER: RMSD restraint in umbrella sampling
(Thu Sep 18 2008 - 13:36:24 PDT)
oguz gurbulak
RE: AMBER: a question
(Mon Sep 29 2008 - 03:23:09 PDT)
RE: AMBER: a question
(Mon Sep 29 2008 - 02:55:29 PDT)
Pablo Englebienne
Re: AMBER: Compiling Amber10 PMEMD with MVAPICH, InfiniBand support
(Thu Sep 25 2008 - 12:07:48 PDT)
AMBER: Compiling Amber10 PMEMD with MVAPICH, InfiniBand support
(Wed Sep 24 2008 - 12:04:46 PDT)
parvesh singh
Re: AMBER: mmpbsa molsurf.c error
(Mon Sep 22 2008 - 02:26:29 PDT)
AMBER: acetone box
(Wed Sep 17 2008 - 04:09:01 PDT)
Peterson, Matthew W.
RE: AMBER: Ca ions not recognized
(Tue Sep 30 2008 - 07:08:16 PDT)
RE: AMBER: MM_PBSA snapshot statistic calc problem
(Mon Sep 29 2008 - 14:25:57 PDT)
Peterson, Matthew W. (MPETERSON)
AMBER: MM-PBSA/NMODE in Amber 10
(Mon Sep 15 2008 - 13:37:41 PDT)
priya priya
Re: AMBER: error while running REMD in amber9
(Thu Sep 25 2008 - 11:04:26 PDT)
Re: AMBER: error while running REMD in amber9
(Thu Sep 25 2008 - 10:44:13 PDT)
Re: AMBER: error while running REMD in amber9
(Thu Sep 25 2008 - 09:49:28 PDT)
Re: AMBER: to prepare pdb file fro unusual amino acid.
(Thu Sep 25 2008 - 09:40:07 PDT)
AMBER: error while running REMD in amber9
(Wed Sep 24 2008 - 10:53:09 PDT)
AMBER: to prepare pdb file fro unusual amino acid.
(Wed Sep 24 2008 - 01:03:06 PDT)
Qiuting Hong
Re: AMBER: how to enlarge the TIP3PBOX size
(Fri Sep 26 2008 - 00:28:53 PDT)
AMBER: how to enlarge the TIP3PBOX size
(Wed Sep 24 2008 - 15:56:10 PDT)
Re: AMBER: molecule drift out of water box?
(Sun Sep 21 2008 - 18:43:38 PDT)
Re: AMBER: molecule drift out of water box?
(Sun Sep 21 2008 - 13:22:19 PDT)
AMBER: molecule drift out of water box?
(Fri Sep 19 2008 - 16:39:42 PDT)
Rajendra P. OJHA
AMBER: Error: PB bomb in pb_reslist(): maxnbr too small
(Thu Sep 18 2008 - 07:34:15 PDT)
ramu.vt.edu
AMBER: NAB parameter: wcons
(Mon Sep 08 2008 - 14:06:54 PDT)
Ranga Swamy
Re: AMBER: Problem In Paralklel Amber
(Sun Sep 28 2008 - 22:23:57 PDT)
AMBER: Problem In Paralklel Amber
(Fri Sep 26 2008 - 04:10:13 PDT)
Ray Luo
RE: AMBER: mm_pbsa error : Scale paremeter for PBSA
(Fri Sep 05 2008 - 10:45:12 PDT)
Robert Duke
Re: AMBER: Amber GB problems on PMEMD !!
(Thu Sep 25 2008 - 05:22:06 PDT)
Re: AMBER: Compiling Amber10 PMEMD with MVAPICH, InfiniBand support
(Wed Sep 24 2008 - 12:39:30 PDT)
Re: AMBER: PMEMD and sander.MPI
(Tue Sep 09 2008 - 07:14:52 PDT)
Re: AMBER: PMEMD installation problem.
(Mon Sep 08 2008 - 05:20:15 PDT)
Robert Hanson
Re: AMBER: coordinate file question
(Tue Sep 30 2008 - 10:24:47 PDT)
Re: AMBER: coordinate file question
(Tue Sep 30 2008 - 06:30:21 PDT)
AMBER: coordinate file question
(Mon Sep 29 2008 - 20:16:25 PDT)
Rogelio Hernández
AMBER: about NMR refinement in explicit solvent
(Tue Sep 09 2008 - 12:15:19 PDT)
Ross Walker
RE: AMBER: XLF problem in compiling AMBER8 on IBM PPC64 SUSE
(Tue Sep 30 2008 - 11:18:44 PDT)
RE: AMBER: cluster for running amber10
(Tue Sep 30 2008 - 08:25:09 PDT)
RE: AMBER: coordinate file question
(Tue Sep 30 2008 - 06:55:57 PDT)
RE: AMBER: coordinate file question
(Mon Sep 29 2008 - 20:33:10 PDT)
RE: AMBER: Location of vdw radii and partial charges for ff99SB
(Mon Sep 29 2008 - 07:51:44 PDT)
RE: AMBER: a question
(Mon Sep 29 2008 - 07:41:54 PDT)
RE: AMBER: Problem In Paralklel Amber
(Mon Sep 29 2008 - 07:35:50 PDT)
RE: AMBER: a question
(Sun Sep 28 2008 - 21:56:00 PDT)
RE: AMBER: Amber GB problems on PMEMD !!
(Thu Sep 25 2008 - 08:23:44 PDT)
RE: AMBER: solvate without translating
(Thu Sep 25 2008 - 07:55:53 PDT)
RE: AMBER: to prepare pdb file fro unusual amino acid.
(Thu Sep 25 2008 - 07:55:21 PDT)
RE: AMBER: how to enlarge the TIP3PBOX size
(Thu Sep 25 2008 - 07:55:38 PDT)
RE: AMBER: how to enlarge the TIP3PBOX size
(Wed Sep 24 2008 - 23:40:21 PDT)
RE: AMBER: solvate without translating
(Wed Sep 24 2008 - 23:46:52 PDT)
RE: AMBER: to prepare pdb file fro unusual amino acid.
(Wed Sep 24 2008 - 23:36:08 PDT)
RE: AMBER: MD goes wrong
(Tue Sep 23 2008 - 21:33:43 PDT)
RE: AMBER: increasing temperature smoothly
(Fri Sep 19 2008 - 11:29:31 PDT)
RE: AMBER: AMBER10 Compilation (SGI Altix)
(Mon Sep 15 2008 - 19:15:54 PDT)
RE: AMBER: amber 10 parallel cpu utlization
(Mon Sep 15 2008 - 19:09:37 PDT)
RE: AMBER: problem in installing parallel version of amber10 with lam
(Mon Sep 15 2008 - 19:02:48 PDT)
RE: AMBER: mulliken charges in QM/MM calculation
(Sun Sep 14 2008 - 01:44:00 PDT)
RE: AMBER: Cutoff list exceeds largest sphere in unit cell
(Wed Sep 10 2008 - 13:08:53 PDT)
RE: AMBER: Cutoff list exceeds largest sphere in unit cell
(Wed Sep 10 2008 - 09:01:18 PDT)
RE: AMBER: Amber10 Compilation
(Wed Sep 10 2008 - 05:31:47 PDT)
RE: AMBER: PMEMD installation problem.
(Mon Sep 08 2008 - 01:21:17 PDT)
RE: AMBER: resp and 99999
(Fri Sep 05 2008 - 07:31:51 PDT)
RE: AMBER: help...sander "segmentation fault" after 2hours of minimization
(Fri Sep 05 2008 - 10:02:30 PDT)
AMBER: RE: reference paper - pls help
(Fri Sep 05 2008 - 09:37:24 PDT)
RE: AMBER: help...sander "segmentation fault" after 2hours of minimization
(Fri Sep 05 2008 - 09:07:27 PDT)
RE: AMBER: error when using tleap with leaprc.ff02EP
(Fri Sep 05 2008 - 09:06:13 PDT)
RE: AMBER: help...sander "segmentation fault" after 2hours of minimization
(Fri Sep 05 2008 - 08:23:42 PDT)
RE: AMBER:
(Wed Sep 03 2008 - 14:14:21 PDT)
RE: AMBER: AMBER9 installation problen with open mpi
(Wed Sep 03 2008 - 08:35:43 PDT)
RE: AMBER: tleap and Zn parameter
(Wed Sep 03 2008 - 08:31:26 PDT)
S.Sundar Raman
Re: AMBER: 3fe-4s cluster parameter file generation
(Mon Sep 15 2008 - 10:21:44 PDT)
Re: AMBER: 3fe-4s cluster parameter file generation
(Mon Sep 15 2008 - 05:56:36 PDT)
Re: AMBER: solvent interaction in active site
(Mon Sep 01 2008 - 07:28:10 PDT)
sai kumar ramadugu
AMBER: EVB allocation problem
(Fri Sep 12 2008 - 09:08:41 PDT)
AMBER: Emperical Valence Bond
(Tue Sep 09 2008 - 14:46:25 PDT)
AMBER: Problem in EVB and Trajectory analysis
(Fri Sep 05 2008 - 14:20:17 PDT)
Sampath Koppole
Re: AMBER: Amber GB problems on PMEMD !!
(Thu Sep 25 2008 - 06:02:42 PDT)
AMBER: Amber GB problems on PMEMD !!
(Thu Sep 25 2008 - 02:09:30 PDT)
Sasha Buzko
AMBER: Amber on Infiniband clusters: SDR vs DDR cables?
(Thu Sep 25 2008 - 16:06:44 PDT)
Re: AMBER: xleap and Sirius on ubuntu 8.04
(Thu Sep 11 2008 - 20:22:38 PDT)
Re: AMBER: Help...which commands in ptraj does clustering by RMSD?
(Thu Sep 11 2008 - 14:48:14 PDT)
Re: AMBER: Help...which commands in ptraj does clustering by RMSD?
(Thu Sep 11 2008 - 13:39:44 PDT)
Re: AMBER: Is there a way to cluster frames of a trajectory?
(Mon Sep 08 2008 - 15:11:04 PDT)
Re: AMBER: Is there a way to cluster frames of a trajectory?
(Mon Sep 08 2008 - 13:34:22 PDT)
saurabh agrawal
Re: AMBER: AMBER9 installation problen with open mpi
(Wed Sep 03 2008 - 07:55:31 PDT)
AMBER: AMBER9 installation problen with open mpi
(Tue Sep 02 2008 - 04:41:55 PDT)
Sergey Samsonov
AMBER: RDF: Segmentation fault
(Wed Sep 10 2008 - 01:13:29 PDT)
Shibasish Chowdhury
RE: AMBER: problem in installing parallel version of amber10 with lam
(Tue Sep 16 2008 - 03:37:06 PDT)
AMBER: problem in installing parallel version of amber10 with lam
(Sun Sep 14 2008 - 21:20:12 PDT)
Soonmin Jang
AMBER: Constant pH simulation force field
(Sat Sep 27 2008 - 02:13:51 PDT)
steinbrt.scripps.edu
AMBER: unsubscribe amber
(Mon Sep 29 2008 - 07:57:50 PDT)
Steve Seibold
AMBER: problems with ptraj and strip waters
(Thu Sep 18 2008 - 14:19:25 PDT)
AMBER: problem with traj and strip waters
(Thu Sep 18 2008 - 07:13:38 PDT)
AMBER: problem with traj and strip waters
(Thu Sep 18 2008 - 06:08:21 PDT)
AMBER: matrix correl
(Wed Sep 03 2008 - 11:40:28 PDT)
Sudha Mani Karra
AMBER: Re: reaction coordinate in umbrella sampling
(Mon Sep 22 2008 - 08:00:42 PDT)
suhaib sh
Re: AMBER: Ac-Co Parameters for Amber
(Tue Sep 30 2008 - 15:18:48 PDT)
AMBER: Ac-Co Parameters for Amber
(Tue Sep 30 2008 - 04:49:41 PDT)
TaoPaul
AMBER: a question about matrix command?
(Tue Sep 02 2008 - 18:01:04 PDT)
Tom Darden
Re: AMBER: Problem of "Too many dipole-dipole interactions allocated" when using amoeba.
(Mon Sep 22 2008 - 13:51:53 PDT)
Vasu Chandrasekaran
Re: AMBER: MM_PBSA snapshot statistic calc problem
(Mon Sep 29 2008 - 12:08:15 PDT)
Vlad Cojocaru
Re: AMBER: AMBER9 installation problen with open mpi
(Tue Sep 02 2008 - 05:00:33 PDT)
Re: AMBER: compilation problem
(Tue Sep 02 2008 - 03:16:13 PDT)
Waqas Nasir
AMBER: Single point energy calculations with explicit solvent.
(Thu Sep 18 2008 - 05:48:47 PDT)
Re: AMBER: top and crd files without hydrogen
(Tue Sep 16 2008 - 03:32:42 PDT)
AMBER: top and crd files without hydrogen
(Tue Sep 16 2008 - 02:18:08 PDT)
Re: AMBER: Hydrogen bond energies in explicit solvent.
(Mon Sep 15 2008 - 09:17:04 PDT)
Re: AMBER: Hydrogen bond energies in explicit solvent.
(Mon Sep 15 2008 - 08:47:00 PDT)
AMBER: Hydrogen bond energies in explicit solvent.
(Mon Sep 15 2008 - 07:56:34 PDT)
Re: AMBER: Need help... High energies for complex...
(Tue Sep 09 2008 - 07:06:18 PDT)
Re: AMBER: Need help... High energies for complex...
(Tue Sep 09 2008 - 06:16:29 PDT)
Re: AMBER: Need help... High energies for complex...
(Mon Sep 08 2008 - 09:06:26 PDT)
Re: AMBER: Need help... High energies for complex...
(Fri Sep 05 2008 - 02:15:59 PDT)
Re: AMBER: Need help... High energies for complex...
(Thu Sep 04 2008 - 09:14:35 PDT)
Re: AMBER: Need help... High energies for complex...
(Thu Sep 04 2008 - 08:22:55 PDT)
Re: AMBER: Need help... High energies for complex...
(Thu Sep 04 2008 - 07:12:21 PDT)
AMBER: Need help... High energies for complex...
(Thu Sep 04 2008 - 03:38:53 PDT)
Re: AMBER: Need help... High energies for complex...
(Thu Sep 04 2008 - 03:08:49 PDT)
AMBER: No bond and angle parameters for - -?????
(Thu Sep 04 2008 - 03:15:37 PDT)
Re: AMBER: Need help... High energies for complex...
(Wed Sep 03 2008 - 04:45:20 PDT)
AMBER: Need help... High energies for complex...
(Wed Sep 03 2008 - 04:20:01 PDT)
waqasuddin.khan.iccs.edu
Re: AMBER: how to enlarge the TIP3PBOX size
(Wed Sep 24 2008 - 23:01:57 PDT)
Re: AMBER: to prepare pdb file fro unusual amino acid.
(Wed Sep 24 2008 - 22:55:51 PDT)
Re: AMBER: Dihedral: ptraj
(Thu Sep 18 2008 - 02:14:50 PDT)
AMBER: Dihedral: ptraj
(Wed Sep 17 2008 - 23:39:33 PDT)
Willy Valdivia-Granda
AMBER: Position: Postdoctoral Fellow
(Mon Sep 22 2008 - 08:50:48 PDT)
xwu.purdue.edu
Re: AMBER: problem of use MPICHI2 to run RMED on amber10
(Tue Sep 30 2008 - 14:29:19 PDT)
Re: AMBER: problem of use MPICHI2 to run RMED on amber10
(Tue Sep 30 2008 - 14:03:08 PDT)
AMBER: problem of use MPICHI2 to run RMED on amber10
(Tue Sep 30 2008 - 13:31:24 PDT)
Ye Mei
AMBER: energy terms in hybrid REMD calculation
(Mon Sep 29 2008 - 02:28:13 PDT)
Re: AMBER: amber 9 install
(Tue Sep 16 2008 - 20:26:07 PDT)
Yongmei Pan
Re: AMBER: problem when running energy minimization with polarizable potential
(Tue Sep 09 2008 - 13:36:33 PDT)
AMBER: energy decomposition with sander?
(Mon Sep 08 2008 - 14:32:32 PDT)
AMBER: who can give a sample input file regarding the energy decomposition with sander?
(Mon Sep 08 2008 - 13:41:37 PDT)
AMBER: problem when running energy minimization with polarizable potential
(Mon Sep 08 2008 - 08:32:30 PDT)
AMBER: error when using tleap with leaprc.ff02EP
(Fri Sep 05 2008 - 08:49:38 PDT)
Zhao, Zhen (zhaozh)
AMBER: How to set up a water slab in Amber?
(Tue Sep 30 2008 - 14:23:06 PDT)
RE: AMBER: Problem of "Too many dipole-dipole interactions allocated" when using amoeba.
(Tue Sep 23 2008 - 07:11:23 PDT)
AMBER: Problem of "Too many dipole-dipole interactions allocated" when using amoeba.
(Mon Sep 22 2008 - 12:02:27 PDT)
AMBER: Is there any way I can extract the potential energy of the solute with the solvent instead of the total energy in Amber?
(Sat Sep 20 2008 - 13:01:59 PDT)
Last message date
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Wed Oct 01 2008 - 05:12:12 PDT
Archived on
: Fri Apr 19 2024 - 05:53:28 PDT
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