Amber Archive Oct 2008 by author
421 messages
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Starting
Wed Oct 01 2008 - 05:12:48 PDT,
Ending
Sun Nov 02 2008 - 05:09:41 PST
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#NGUYEN CONG TRI#
AMBER: Conversion between truncated octahedron and orthorohombic box
(Sat Oct 25 2008 - 19:36:30 PDT)
Adrien Delmont
Re: AMBER: question about simulation box
(Tue Oct 21 2008 - 06:43:24 PDT)
AMBER: question about simulation box
(Sun Oct 19 2008 - 14:04:24 PDT)
AMBER: using ptraj
(Fri Oct 17 2008 - 14:44:16 PDT)
Alberto Sergio Garay
AMBER: Question about resp charges for a charged molecule...
(Fri Oct 10 2008 - 03:54:22 PDT)
Alessandro Nascimento
Re: AMBER: drug/protein interaction modeling setup
(Mon Oct 20 2008 - 13:21:05 PDT)
Re: AMBER: pairwise interaction energies
(Mon Oct 13 2008 - 03:35:39 PDT)
Re: AMBER: MM_PBSA problems in AMBER9
(Mon Oct 06 2008 - 06:04:37 PDT)
amit jain
AMBER: shake the molecule
(Thu Oct 02 2008 - 22:26:33 PDT)
Andreas Svrcek-Seiler
Re: AMBER: nscm code
(Fri Oct 10 2008 - 04:37:09 PDT)
Re: AMBER: F modified RNA is split in two parts when running sander simulated annealing
(Wed Oct 01 2008 - 02:56:38 PDT)
aneesh cna
Re: AMBER: problem with Dihedral angle potentials
(Thu Oct 30 2008 - 09:35:00 PDT)
Re: AMBER: problem with Dihedral angle potentials
(Thu Oct 30 2008 - 02:11:48 PDT)
AMBER: problem with Dihedral angle potentials
(Wed Oct 29 2008 - 02:23:57 PDT)
AMBER: regarding rigid molecules
(Thu Oct 16 2008 - 02:34:36 PDT)
Antonios Samiotakis
AMBER: Question on Urea box
(Tue Oct 07 2008 - 12:31:44 PDT)
Arturas Ziemys
AMBER: aromatic bent ligand
(Mon Oct 27 2008 - 19:34:49 PDT)
AMBER: mm_pbsa_statistics / 3 traj
(Mon Oct 20 2008 - 09:18:26 PDT)
Atro Tossavainen
Re: AMBER: amber10 installation on sgi_mips
(Thu Oct 02 2008 - 12:39:33 PDT)
Re: AMBER: amber10 installation on sgi_mips
(Thu Oct 02 2008 - 02:59:34 PDT)
Barbault Florent
Re: AMBER: Folate parameters
(Thu Oct 30 2008 - 07:03:09 PDT)
Re: AMBER: drug/protein interaction modeling setup
(Mon Oct 20 2008 - 13:37:24 PDT)
Beale, John
RE: AMBER: peptide MD
(Mon Oct 27 2008 - 10:47:42 PDT)
RE: AMBER: peptide MD
(Mon Oct 27 2008 - 10:13:47 PDT)
AMBER: peptide MD
(Mon Oct 27 2008 - 08:38:48 PDT)
AMBER: Contacts
(Mon Oct 20 2008 - 07:29:06 PDT)
AMBER: Ring flips
(Fri Oct 10 2008 - 10:09:52 PDT)
AMBER: Radius of Gyration
(Fri Oct 10 2008 - 04:27:22 PDT)
Benjamin Roberts
AMBER: Clarification re qmmask
(Thu Oct 16 2008 - 10:24:45 PDT)
Bert
AMBER: DNA structure analysis
(Wed Oct 22 2008 - 04:27:38 PDT)
Bill Ross
RE: AMBER: stripping water from a restart file
(Fri Oct 24 2008 - 08:21:59 PDT)
RE: AMBER: stripping water from a restart file
(Thu Oct 23 2008 - 16:48:59 PDT)
Re: AMBER: Metal parameter values
(Thu Oct 23 2008 - 11:23:08 PDT)
RE: AMBER: stripping water from a restart file
(Thu Oct 23 2008 - 11:13:43 PDT)
RE: AMBER: stripping water from a restart file
(Wed Oct 22 2008 - 13:38:11 PDT)
Re: AMBER: stripping water from a restart file
(Wed Oct 22 2008 - 10:12:29 PDT)
Re: AMBER: Heme cysteine
(Tue Oct 21 2008 - 09:20:38 PDT)
Re: AMBER: drug/protein interaction modeling setup
(Mon Oct 20 2008 - 15:39:04 PDT)
Re: AMBER: Sources of disruption during NVE
(Fri Oct 03 2008 - 08:27:37 PDT)
Re: AMBER: Leap atoms CL and OXT do not have a type
(Thu Oct 02 2008 - 13:09:53 PDT)
Re: AMBER: Leap atoms CL and OXT do not have a type
(Thu Oct 02 2008 - 10:36:58 PDT)
Re: AMBER: amber10 installation on sgi_mips
(Thu Oct 02 2008 - 10:05:17 PDT)
Re: AMBER: amber10 installation on sgi_mips
(Wed Oct 01 2008 - 15:11:08 PDT)
Campbell, Patrick
AMBER: Question on AMBER MD Implications
(Fri Oct 31 2008 - 09:27:41 PDT)
Carlos Simmerling
Re: AMBER: Question on AMBER MD Implications
(Fri Oct 31 2008 - 09:51:21 PDT)
Re: AMBER: Query on restart file
(Thu Oct 30 2008 - 19:03:53 PDT)
Re: AMBER: problem with Dihedral angle potentials
(Thu Oct 30 2008 - 15:07:27 PDT)
Re: AMBER: Optimal compiling of amber on XT3
(Thu Oct 30 2008 - 03:22:35 PDT)
Re: AMBER: problem with Dihedral angle potentials
(Thu Oct 30 2008 - 03:20:59 PDT)
Re: AMBER: problem with Dihedral angle potentials
(Wed Oct 29 2008 - 03:09:15 PDT)
Re: AMBER: peptide MD
(Mon Oct 27 2008 - 11:07:11 PDT)
Re: AMBER: peptide MD
(Mon Oct 27 2008 - 10:35:57 PDT)
Re: AMBER: peptide MD
(Mon Oct 27 2008 - 10:05:00 PDT)
Re: AMBER: stripping water from a restart file
(Thu Oct 23 2008 - 15:05:07 PDT)
Re: AMBER: stripping water from a restart file
(Thu Oct 23 2008 - 05:22:00 PDT)
Re: AMBER: stripping water from a restart file
(Wed Oct 22 2008 - 09:29:32 PDT)
Re: AMBER: Does LEaP understant capping with ACE/NME?
(Tue Oct 21 2008 - 09:02:41 PDT)
Re: AMBER: equilibration
(Tue Oct 21 2008 - 04:30:12 PDT)
Re: AMBER: equilibration
(Tue Oct 21 2008 - 04:20:13 PDT)
Re: AMBER: equilibration
(Tue Oct 21 2008 - 04:01:54 PDT)
Re: AMBER: about SASA and AMBER
(Mon Oct 20 2008 - 10:17:42 PDT)
Re: AMBER: Addions in GB Mode?
(Mon Oct 20 2008 - 03:12:52 PDT)
Re: AMBER: LEaP problem with LEU first residue?
(Tue Oct 14 2008 - 03:41:01 PDT)
Re: AMBER: large number of solvent molecules were added for protein with 221 AA residues
(Tue Oct 14 2008 - 03:21:46 PDT)
Re: AMBER: High Bfactor values for the terminal residues/atoms
(Tue Oct 14 2008 - 03:25:25 PDT)
Re: AMBER: Radius of Gyration
(Fri Oct 10 2008 - 04:48:21 PDT)
Re: AMBER: AddIons approach
(Fri Oct 10 2008 - 04:17:08 PDT)
Re: AMBER: nscm code
(Fri Oct 10 2008 - 03:32:25 PDT)
Re: AMBER: ptraj average structure
(Sat Oct 04 2008 - 06:55:31 PDT)
AMBER: Oct 6 deadline for ACS computational chemistry awards
(Thu Oct 02 2008 - 10:45:35 PDT)
Re: AMBER: Temperature regulation
(Wed Oct 01 2008 - 19:04:36 PDT)
Re: AMBER: Temperature regulation
(Wed Oct 01 2008 - 10:49:26 PDT)
Carra, Claudio (JSC-SK)[USRA]
AMBER: MM-PBSA problem : Use of uninitialized value in multiplicatiom with Amber10
(Wed Oct 01 2008 - 10:05:55 PDT)
Catein Catherine
AMBER: error message of xleap
(Thu Oct 30 2008 - 20:40:49 PDT)
AMBER: atom type for carbon and nitrogen atoms
(Mon Oct 27 2008 - 01:58:51 PDT)
AMBER: atom type for carbon and nitrogen atoms
(Mon Oct 27 2008 - 01:56:06 PDT)
CHAMI F.
RE: AMBER: stripping water from a restart file
(Fri Oct 24 2008 - 02:58:58 PDT)
RE: AMBER: stripping water from a restart file
(Thu Oct 23 2008 - 14:59:03 PDT)
RE: AMBER: stripping water from a restart file
(Thu Oct 23 2008 - 04:33:29 PDT)
RE: AMBER: stripping water from a restart file
(Thu Oct 23 2008 - 05:45:19 PDT)
RE: AMBER: stripping water from a restart file
(Wed Oct 22 2008 - 13:29:45 PDT)
AMBER: stripping water from a restart file
(Wed Oct 22 2008 - 09:11:46 PDT)
Chih-Ying Lin
AMBER: How to assign /make the ionion bond?
(Fri Oct 17 2008 - 15:30:07 PDT)
Cristina Sisu
AMBER: MM-PBSA -energy decomposition error
(Wed Oct 22 2008 - 15:07:43 PDT)
Dave Rogers
Re: AMBER: Amber dipole printout.
(Tue Oct 14 2008 - 11:14:21 PDT)
David A. Case
Re: AMBER: problem with zMatrix in tleap
(Fri Oct 31 2008 - 07:37:11 PDT)
Re: AMBER: problem with zMatrix in tleap
(Fri Oct 31 2008 - 05:33:44 PDT)
Re: AMBER: Lone pairs in antechamber
(Thu Oct 30 2008 - 07:27:31 PDT)
Re: AMBER: Huge difference between pbtot and gbtot in mm-pbsa calculations
(Thu Oct 30 2008 - 06:17:12 PDT)
Re: AMBER: Huge difference between pbtot and gbtot in mm-pbsa calculations
(Thu Oct 30 2008 - 04:24:12 PDT)
Re: AMBER: antechamber bug? produces incorrect NEWPDB.PDB file
(Wed Oct 29 2008 - 03:49:06 PDT)
Re: AMBER: antechamber bug? produces incorrect NEWPDB.PDB file
(Tue Oct 28 2008 - 15:09:38 PDT)
Re: AMBER: antechamber bug? produces incorrect NEWPDB.PDB file
(Tue Oct 28 2008 - 10:57:49 PDT)
Re: AMBER: SPCFW problems
(Tue Oct 28 2008 - 15:12:02 PDT)
Re: AMBER: Identification of improper torsions in small molecules parameterized with GAFF by antechamber
(Tue Oct 28 2008 - 15:15:11 PDT)
Re: AMBER: antechamber bug? produces incorrect NEWPDB.PDB file
(Tue Oct 28 2008 - 10:41:45 PDT)
Re: AMBER: SPCFW problems
(Tue Oct 28 2008 - 10:25:23 PDT)
Re: AMBER: Identification of improper torsions in small molecules parameterized with GAFF by antechamber
(Tue Oct 28 2008 - 05:57:22 PDT)
Re: AMBER: SPCFW problems
(Tue Oct 28 2008 - 03:49:37 PDT)
Re: AMBER: problem with amber8 installation
(Sat Oct 25 2008 - 06:30:30 PDT)
Re: AMBER: Atom names CL and four characters
(Fri Oct 24 2008 - 12:21:51 PDT)
Re: AMBER: energy leakage?
(Thu Oct 23 2008 - 04:00:29 PDT)
Re: AMBER: LEaP problem with LEU first residue?
(Mon Oct 20 2008 - 04:00:09 PDT)
Re: AMBER: antechamber errors
(Fri Oct 17 2008 - 07:20:51 PDT)
Re: AMBER: Using charmm force field in amber
(Thu Oct 16 2008 - 14:51:45 PDT)
Re: AMBER: antechamber
(Thu Oct 16 2008 - 14:25:17 PDT)
Re: AMBER: regarding rigid molecules
(Thu Oct 16 2008 - 04:06:42 PDT)
Re: AMBER: antechamber test failure
(Thu Oct 16 2008 - 04:04:13 PDT)
Re: AMBER: Installation Error
(Wed Oct 15 2008 - 06:35:19 PDT)
Re: AMBER: LEaP problem with LEU first residue?
(Wed Oct 15 2008 - 06:18:58 PDT)
Re: AMBER: antechamber test failure
(Wed Oct 15 2008 - 06:16:06 PDT)
Re: AMBER: antechamber
(Mon Oct 13 2008 - 15:43:00 PDT)
Re: AMBER: question about pression
(Mon Oct 13 2008 - 07:55:57 PDT)
Re: AMBER: removing COM and rotation in explicit solvation
(Sun Oct 12 2008 - 14:32:54 PDT)
Re: AMBER: AddIons approach
(Fri Oct 10 2008 - 04:52:52 PDT)
Re: AMBER: velocity-verlet algorithm and ensembles
(Thu Oct 09 2008 - 05:46:08 PDT)
Re: AMBER: Once again, with feeling --- Support for intel mpi in pmemd 10; better support for intel MKL
(Tue Oct 07 2008 - 14:05:07 PDT)
Re: AMBER: shake the molecule
(Fri Oct 03 2008 - 09:28:32 PDT)
Re: AMBER: amber10 installation on sgi_mips
(Wed Oct 01 2008 - 12:24:56 PDT)
Re: AMBER: How to set up a water slab in Amber?
(Wed Oct 01 2008 - 04:51:17 PDT)
David Watson
Re: AMBER: Ring flips
(Fri Oct 10 2008 - 10:36:36 PDT)
Re: AMBER: Ring flips
(Fri Oct 10 2008 - 10:30:37 PDT)
Diddo Diddens
AMBER: Lone pairs in antechamber
(Thu Oct 30 2008 - 06:25:35 PDT)
dipti lele
AMBER: antechamber
(Sat Oct 11 2008 - 21:43:33 PDT)
Dmitri Nilov
Re: AMBER: Again: Installation problem of AMBER on cluster
(Sat Oct 25 2008 - 05:30:43 PDT)
AMBER: Again: Installation problem of AMBER on cluster
(Tue Oct 21 2008 - 09:31:52 PDT)
AMBER: NAD+ parameters problem using tleap
(Fri Oct 17 2008 - 09:24:50 PDT)
AMBER: Amber10: Problem with tgtmd and ncsu testing
(Wed Oct 15 2008 - 06:00:11 PDT)
Enguerran Vanquelef
Re: AMBER: Zn2+ Bondi radius value
(Wed Oct 08 2008 - 04:55:21 PDT)
Fan Yanping
AMBER: internal energy INT is not zero from MM_GBSA
(Mon Oct 06 2008 - 23:08:14 PDT)
Florian Haberl
Re: AMBER: pdb structure is only half the molecule.
(Fri Oct 24 2008 - 03:18:45 PDT)
flyanping
AMBER: internal energy INT is not zero from MM_GBSA
(Mon Oct 06 2008 - 23:18:49 PDT)
Francesca Poletti
AMBER: Differentiating the force constant of distance restraints
(Thu Oct 16 2008 - 01:40:16 PDT)
Francesco Pietra
Re: AMBER: how to ger resp charge for a residue?
(Fri Oct 31 2008 - 00:59:31 PDT)
Re: AMBER: Setting GROUP for pmemd
(Thu Oct 30 2008 - 23:25:44 PDT)
Re: AMBER: Setting GROUP for pmemd
(Thu Oct 30 2008 - 16:28:37 PDT)
Re: AMBER: Setting GROUP for pmemd
(Thu Oct 30 2008 - 14:56:27 PDT)
AMBER: Setting GROUP for pmemd
(Thu Oct 30 2008 - 12:10:39 PDT)
Re: AMBER: Restraining with PMEMD 10
(Sat Oct 25 2008 - 11:57:40 PDT)
Re: AMBER: Restraining with PMEMD 10
(Sat Oct 25 2008 - 09:33:57 PDT)
AMBER: Restraining with PMEMD 10
(Sat Oct 25 2008 - 02:32:39 PDT)
Re: AMBER: Atom names CL and four characters
(Fri Oct 24 2008 - 15:44:31 PDT)
AMBER: Atom names CL and four characters
(Fri Oct 24 2008 - 11:55:05 PDT)
Re: AMBER: Does LEaP understant capping with ACE/NME?
(Tue Oct 21 2008 - 10:31:36 PDT)
AMBER: Does LEaP understant capping with ACE/NME?
(Tue Oct 21 2008 - 08:57:12 PDT)
Fwd: AMBER: Restricting the system to simulate
(Sat Oct 18 2008 - 00:44:19 PDT)
AMBER: Restricting the system to simulate
(Fri Oct 17 2008 - 09:00:50 PDT)
AMBER: capping with non charged residues
(Thu Oct 16 2008 - 15:24:44 PDT)
Re: Fwd: AMBER: LEaP problem with LEU first residue?
(Tue Oct 14 2008 - 15:58:08 PDT)
Fwd: AMBER: LEaP problem with LEU first residue?
(Tue Oct 14 2008 - 10:58:33 PDT)
Re: AMBER: LEaP problem with LEU first residue?
(Tue Oct 14 2008 - 06:42:55 PDT)
AMBER: LEaP problem with LEU first residue?
(Tue Oct 14 2008 - 03:26:25 PDT)
AMBER: LEU as first residue
(Mon Oct 13 2008 - 09:20:00 PDT)
AMBER: PDB standards
(Mon Oct 13 2008 - 01:18:23 PDT)
AMBER: Parameters for alkali cations and halogen anions
(Sun Oct 05 2008 - 00:29:45 PDT)
Re: AMBER: Support for intel mpi in pmemd 10; better support for intel MKL
(Thu Oct 02 2008 - 14:35:45 PDT)
Re: AMBER: Leap atoms CL and OXT do not have a type
(Thu Oct 02 2008 - 12:15:54 PDT)
Re: AMBER: Leap atoms CL and OXT do not have a type
(Thu Oct 02 2008 - 08:47:31 PDT)
FyD
Re: AMBER: how to ger resp charge for a residue?
(Fri Oct 31 2008 - 06:21:13 PDT)
Re: AMBER: how to ger resp charge for a residue?
(Thu Oct 30 2008 - 23:33:42 PDT)
Re: AMBER: antechamber bug? produces incorrect NEWPDB.PDB file
(Wed Oct 29 2008 - 00:19:41 PDT)
Re: AMBER: REDvIII_I_lack_of_charges_in_mol2
(Wed Oct 22 2008 - 08:15:15 PDT)
Re: AMBER: REDvIII_I_lack_of_charges_in_mol2
(Sun Oct 19 2008 - 01:12:03 PDT)
Re: AMBER: REDvIII_I_lack_of_charges_in_mol2
(Sat Oct 18 2008 - 14:30:33 PDT)
Re: AMBER: REDvIII_I_lack_of_charges_in_mol2
(Sat Oct 18 2008 - 04:54:56 PDT)
Re: AMBER: xleap fails to savemol2
(Tue Oct 14 2008 - 12:15:48 PDT)
Re: AMBER: amber: parameters for 5' nucleotide monophosphates
(Mon Oct 13 2008 - 12:44:47 PDT)
Re: AMBER: Question about resp charges for a charged molecule...
(Fri Oct 10 2008 - 06:37:48 PDT)
Fwd: Re: AMBER: Jmol 11.7.1 pre-release version reads AMBER trajectory/coordinate files
(Thu Oct 09 2008 - 09:57:07 PDT)
Re: AMBER: xleap fails to savemol2
(Wed Oct 08 2008 - 23:54:05 PDT)
Re: AMBER: Jmol 11.7.1 pre-release version reads AMBER trajectory/coordinate files
(Wed Oct 08 2008 - 12:00:33 PDT)
Re: AMBER: Ac-Co Parameters for Amber
(Wed Oct 01 2008 - 14:26:54 PDT)
Re: AMBER: Ac-Co Parameters for Amber
(Tue Sep 30 2008 - 23:14:39 PDT)
Germain Vallverdu
Re: AMBER: input
(Tue Oct 21 2008 - 02:36:40 PDT)
Re: AMBER: regarding rigid molecules
(Thu Oct 16 2008 - 04:02:49 PDT)
Re: AMBER: Differentiating the force constant of distance restraints
(Thu Oct 16 2008 - 02:07:07 PDT)
Re: AMBER: AddIons approach
(Fri Oct 10 2008 - 04:23:00 PDT)
Re: AMBER: Question about resp charges for a charged molecule...
(Fri Oct 10 2008 - 04:20:45 PDT)
Gustavo Seabra
Re: AMBER: peptide MD
(Mon Oct 27 2008 - 10:52:25 PDT)
Re: AMBER: peptide MD
(Mon Oct 27 2008 - 10:36:35 PDT)
Re: AMBER: atom type for carbon and nitrogen atoms
(Mon Oct 27 2008 - 10:28:31 PDT)
Re: AMBER: stripping water from a restart file
(Mon Oct 27 2008 - 10:12:04 PDT)
Re: AMBER: Conversion between truncated octahedron and orthorohombic box
(Mon Oct 27 2008 - 10:19:59 PDT)
Re: AMBER: pdb structure is only half the molecule.
(Thu Oct 23 2008 - 13:19:05 PDT)
Re: AMBER: scyld beowulf --amber10--openmpi
(Mon Oct 20 2008 - 19:56:35 PDT)
Re: AMBER: question about simulation box
(Mon Oct 20 2008 - 06:09:03 PDT)
Re: AMBER: using ptraj
(Fri Oct 17 2008 - 18:35:23 PDT)
Re: AMBER: Clarification re qmmask
(Thu Oct 16 2008 - 11:22:41 PDT)
Re: AMBER: regarding rigid molecules
(Thu Oct 16 2008 - 08:16:39 PDT)
Re: AMBER: regarding rigid molecules
(Thu Oct 16 2008 - 06:34:56 PDT)
Re: AMBER: Origin of periodic box
(Thu Oct 16 2008 - 06:24:50 PDT)
Re: AMBER: Installation Error
(Wed Oct 15 2008 - 06:21:14 PDT)
Re: AMBER: amber10 installation problem in cygwin
(Tue Oct 14 2008 - 08:56:20 PDT)
Re: AMBER: Sources of disruption during NVE
(Fri Oct 03 2008 - 06:39:05 PDT)
Re: AMBER: Sources of disruption during NVE
(Wed Oct 01 2008 - 12:32:06 PDT)
Harry (Yicun) Ni
AMBER: Using charmm force field in amber
(Thu Oct 16 2008 - 14:20:45 PDT)
hklwatergod
Re: Re: RE: AMBER: the install problem
(Tue Oct 14 2008 - 00:19:02 PDT)
AMBER: Segmentation fault
(Mon Oct 13 2008 - 23:52:36 PDT)
Ibrahim Moustafa
Re: AMBER: changing pdb structure
(Fri Oct 10 2008 - 07:24:30 PDT)
Jacopo Sgrignani
AMBER: minimization
(Fri Oct 31 2008 - 01:52:12 PDT)
AMBER: minimization
(Thu Oct 30 2008 - 11:03:29 PDT)
Jagan Mohan
Re: AMBER: Installation Error
(Wed Oct 15 2008 - 07:03:04 PDT)
Re: AMBER: Installation Error
(Wed Oct 15 2008 - 01:51:03 PDT)
AMBER: Installation Error
(Wed Oct 15 2008 - 00:50:18 PDT)
Jan Goeman
Re: AMBER: installing amber on new linux
(Sun Oct 26 2008 - 17:25:49 PDT)
AMBER: installing amber on new linux
(Wed Oct 22 2008 - 14:06:48 PDT)
Jeff Schwinefus
AMBER: amber: parameters for 5' nucleotide monophosphates
(Mon Oct 13 2008 - 10:52:55 PDT)
Jianyin Shao
Re: AMBER: ptraj - closest command
(Wed Oct 08 2008 - 12:50:29 PDT)
Joel Tyndall
RE: AMBER: pdb structure is only half the molecule.
(Thu Oct 23 2008 - 13:18:36 PDT)
John Bennett
AMBER: ptraj
(Tue Oct 21 2008 - 07:32:07 PDT)
John Chodera
Re: AMBER: Identification of improper torsions in small molecules parameterized with GAFF by antechamber
(Tue Oct 28 2008 - 08:57:42 PDT)
AMBER: Identification of improper torsions in small molecules parameterized with GAFF by antechamber
(Mon Oct 27 2008 - 15:12:31 PDT)
AMBER: Duplicate entries with different parameters in gaff.dat from AmberTools 1.2
(Sun Oct 26 2008 - 18:16:48 PDT)
John Finke
AMBER: Trouble compiling Amber 9 leap programs on SGI Altix system
(Fri Oct 31 2008 - 11:05:57 PDT)
john smith
Re: AMBER: antechamber test failure
(Wed Oct 15 2008 - 22:53:50 PDT)
AMBER: antechamber test failure
(Mon Oct 13 2008 - 22:47:28 PDT)
julliane Yoneda
Re: AMBER: Temperature regulation
(Wed Oct 08 2008 - 10:52:52 PDT)
Re: AMBER: Temperature regulation
(Wed Oct 01 2008 - 18:10:27 PDT)
Re: AMBER: Temperature regulation
(Wed Oct 01 2008 - 10:22:06 PDT)
Karol Kaszuba
Re: AMBER: REDvIII_I_lack_of_charges_in_mol2
(Sun Oct 19 2008 - 06:00:35 PDT)
Re: AMBER: REDvIII_I_lack_of_charges_in_mol2
(Sat Oct 18 2008 - 23:57:23 PDT)
Re: AMBER: REDvIII_I_lack_of_charges_in_mol2
(Sat Oct 18 2008 - 09:32:58 PDT)
AMBER: REDvIII_I_lack_of_charges_in_mol2
(Sat Oct 18 2008 - 04:08:53 PDT)
KazuoOhta
Re: AMBER: LEaP problem with LEU first residue?
(Sun Oct 19 2008 - 20:04:38 PDT)
Keith Van Nostrand
AMBER: Regarding sleap - documentation and output behavior
(Fri Oct 24 2008 - 08:26:58 PDT)
Khaled Barakat
AMBER: MM_PBSA doesn't terminate
(Wed Oct 22 2008 - 08:27:55 PDT)
AMBER: MM_PBSA doesn't terminate
(Tue Oct 21 2008 - 09:58:12 PDT)
Lachele Foley (Lists)
Re: AMBER: about SASA and AMBER
(Mon Oct 20 2008 - 10:07:06 PDT)
Larry Layne
RE: AMBER: MM_PBSA binding error
(Fri Oct 31 2008 - 05:56:42 PDT)
AMBER: MM_PBSA binding error
(Thu Oct 30 2008 - 11:54:24 PDT)
Madhumalar Arumugam
AMBER: ANAL
(Wed Oct 29 2008 - 01:44:57 PDT)
Marcela Madrid
Re: AMBER: antechamber
(Tue Oct 21 2008 - 10:02:54 PDT)
AMBER: antechamber
(Thu Oct 16 2008 - 13:37:07 PDT)
Matthew Tessier
RE: AMBER: AMBER force field for glycolipid
(Thu Oct 09 2008 - 06:57:59 PDT)
Melinda Layten
Re: AMBER: cnstph test case failure or expected divergence?
(Tue Oct 21 2008 - 08:38:31 PDT)
AMBER: cnstph test case failure or expected divergence?
(Mon Oct 20 2008 - 13:23:08 PDT)
Michael Lerner
AMBER: Folate parameters
(Wed Oct 29 2008 - 10:03:06 PDT)
moitrayee.mbu.iisc.ernet.in
Re: AMBER: Huge difference between pbtot and gbtot in mm-pbsa calculations
(Thu Oct 30 2008 - 05:49:44 PDT)
RE: AMBER: Huge difference between pbtot and gbtot in mm-pbsa calculations
(Wed Oct 29 2008 - 22:56:51 PDT)
AMBER: Huge difference between pbtot and gbtot in mm-pbsa calculations
(Wed Oct 29 2008 - 06:07:23 PDT)
RE: AMBER: problem with amber8 installation
(Fri Oct 24 2008 - 23:36:27 PDT)
Re: AMBER: problem with running mm-pbsa
(Fri Oct 24 2008 - 23:30:11 PDT)
AMBER: problem with amber8 installation
(Fri Oct 24 2008 - 05:22:40 PDT)
AMBER: problem with amber8 installation
(Fri Oct 24 2008 - 05:20:17 PDT)
AMBER: problem with running mm-pbsa
(Fri Oct 24 2008 - 00:14:49 PDT)
musa özboyacı
Re: AMBER: Metal parameter values
(Thu Oct 23 2008 - 12:09:35 PDT)
AMBER: Metal parameter values
(Thu Oct 23 2008 - 04:59:13 PDT)
AMBER: Error in creating topology file
(Mon Oct 20 2008 - 04:00:48 PDT)
Naser Alijabbari
Re: AMBER: SPCFW problems
(Tue Oct 28 2008 - 10:57:59 PDT)
Re: AMBER: SPCFW problems
(Tue Oct 28 2008 - 08:50:49 PDT)
AMBER: SPCFW problems
(Mon Oct 27 2008 - 19:37:12 PDT)
AMBER: Origin of periodic box
(Wed Oct 15 2008 - 18:34:00 PDT)
AMBER: removing COM and rotation in explicit solvation
(Sun Oct 12 2008 - 13:02:22 PDT)
AMBER: nscm code
(Thu Oct 09 2008 - 22:05:59 PDT)
Re: AMBER: Sources of disruption during NVE
(Wed Oct 01 2008 - 18:10:43 PDT)
AMBER: Sources of disruption during NVE
(Wed Oct 01 2008 - 08:59:29 PDT)
Neha Gandhi
Re: AMBER: Query on restart file
(Thu Oct 30 2008 - 19:22:49 PDT)
AMBER: Query on restart file
(Thu Oct 30 2008 - 18:49:30 PDT)
AMBER: Ptraj pucker for pyranose
(Mon Oct 13 2008 - 02:43:33 PDT)
neville forlemu
Re: AMBER: Non bond list error
(Fri Oct 24 2008 - 12:40:08 PDT)
Re: AMBER: Non bond list error
(Fri Oct 24 2008 - 11:12:58 PDT)
RE: AMBER: Non bond list error
(Fri Oct 24 2008 - 09:34:44 PDT)
RE: AMBER: Non bond list error
(Thu Oct 23 2008 - 22:13:13 PDT)
Re: AMBER: Non bond list error
(Thu Oct 23 2008 - 21:48:01 PDT)
oguz gurbulak
AMBER: antechamber errors
(Fri Oct 17 2008 - 06:07:37 PDT)
AMBER: velocity-verlet algorithm and ensembles
(Wed Oct 08 2008 - 11:59:46 PDT)
Pablo Englebienne
AMBER: MM-PBSA error in Amber10: possible bug?
(Fri Oct 31 2008 - 20:38:15 PDT)
parul sharma
Re: AMBER: Addions in GB Mode?
(Mon Oct 20 2008 - 02:25:22 PDT)
Re: AMBER: AddIons approach
(Fri Oct 10 2008 - 04:44:41 PDT)
AMBER: AddIons approach
(Fri Oct 10 2008 - 04:13:51 PDT)
Patrick McCarren
AMBER: Optimal compiling of amber on XT3
(Wed Oct 29 2008 - 21:30:56 PDT)
Peter Podbevšek
RE: AMBER: F modified RNA is split in two parts when running sander simulated annealing
(Thu Oct 02 2008 - 06:08:51 PDT)
AMBER: F modified RNA is split in two parts when running sander simulated annealing
(Wed Oct 01 2008 - 02:01:52 PDT)
Peter Varnai
AMBER: amber10 on SiCortex hardware
(Fri Oct 03 2008 - 09:27:21 PDT)
Ray Luo
Re: AMBER: MM_PBSA binding error
(Fri Oct 31 2008 - 15:16:41 PDT)
RE: AMBER: MM_PBSA binding error
(Thu Oct 30 2008 - 12:35:36 PDT)
RE: AMBER: Huge difference between pbtot and gbtot in mm-pbsa calculations
(Wed Oct 29 2008 - 09:41:38 PDT)
RE: AMBER: something puzzled with mm_pbsa
(Mon Oct 27 2008 - 09:56:54 PDT)
Re: AMBER: problem with running mm-pbsa
(Fri Oct 24 2008 - 09:24:59 PDT)
Re: AMBER: something puzzled with mm_pbsa
(Fri Oct 24 2008 - 09:21:59 PDT)
Re: AMBER: MM_PBSA problems in AMBER9
(Sun Oct 05 2008 - 20:20:01 PDT)
Rima Chaudhuri
Re: AMBER: scyld beowulf --amber10--openmpi
(Mon Oct 20 2008 - 18:46:13 PDT)
AMBER: scyld beowulf --amber10--openmpi
(Mon Oct 20 2008 - 17:00:27 PDT)
Re: AMBER: amber10 installation on sgi_mips
(Thu Oct 02 2008 - 09:42:25 PDT)
Re: AMBER: amber10 installation on sgi_mips
(Wed Oct 01 2008 - 19:31:06 PDT)
Re: AMBER: amber10 installation on sgi_mips
(Wed Oct 01 2008 - 13:47:14 PDT)
AMBER: amber10 installation on sgi_mips
(Wed Oct 01 2008 - 12:05:06 PDT)
Robert Duke
Re: AMBER: Query on restart file
(Thu Oct 30 2008 - 19:14:40 PDT)
Re: AMBER: Setting GROUP for pmemd
(Thu Oct 30 2008 - 19:02:05 PDT)
Re: AMBER: Setting GROUP for pmemd
(Thu Oct 30 2008 - 15:30:07 PDT)
Re: AMBER: Setting GROUP for pmemd
(Thu Oct 30 2008 - 12:29:27 PDT)
Re: AMBER: Optimal compiling of amber on XT3
(Wed Oct 29 2008 - 22:59:21 PDT)
Re: AMBER: Optimal compiling of amber on XT3
(Wed Oct 29 2008 - 22:31:49 PDT)
Re: AMBER: Problem installing PMEMD with intel mpi, ifort
(Tue Oct 28 2008 - 18:12:17 PDT)
Re: AMBER: Restraining with PMEMD 10
(Sat Oct 25 2008 - 10:12:20 PDT)
Re: AMBER: Restraining with PMEMD 10
(Sat Oct 25 2008 - 05:57:03 PDT)
Re: AMBER: Non bond list error
(Fri Oct 24 2008 - 12:04:53 PDT)
Re: AMBER: Non bond list error
(Fri Oct 24 2008 - 11:47:33 PDT)
Re: AMBER: Non bond list error
(Fri Oct 24 2008 - 09:40:24 PDT)
Fw: AMBER: Non bond list error
(Fri Oct 24 2008 - 06:20:29 PDT)
Re: AMBER: Non bond list error
(Thu Oct 23 2008 - 13:44:29 PDT)
Re: AMBER: Non bond list error
(Thu Oct 23 2008 - 13:14:13 PDT)
AMBER: Once again, with feeling --- Support for intel mpi in pmemd 10; better support for intel MKL
(Tue Oct 07 2008 - 10:02:51 PDT)
Re: AMBER: Support for intel mpi in pmemd 10; better support for intel MKL
(Fri Oct 03 2008 - 08:43:22 PDT)
Re: AMBER: Support for intel mpi in pmemd 10; better support for intel MKL
(Thu Oct 02 2008 - 15:39:28 PDT)
AMBER: Support for intel mpi in pmemd 10; better support for intel MKL
(Thu Oct 02 2008 - 13:56:07 PDT)
Robert Hanson
Re: AMBER: antechamber bug? produces incorrect NEWPDB.PDB file
(Wed Oct 29 2008 - 04:50:35 PDT)
Re: AMBER: antechamber bug? produces incorrect NEWPDB.PDB file
(Tue Oct 28 2008 - 15:42:19 PDT)
AMBER: antechamber bug? produces incorrect NEWPDB.PDB file
(Tue Oct 28 2008 - 09:46:08 PDT)
Re: AMBER: antechamber bug? produces incorrect NEWPDB.PDB file
(Tue Oct 28 2008 - 11:21:59 PDT)
Re: AMBER: changing pdb structure
(Thu Oct 09 2008 - 20:23:48 PDT)
Re: [Jmol-users] AMBER: Jmol 11.7.1 pre-release version reads AMBER trajectory/coordinate files
(Thu Oct 09 2008 - 16:12:52 PDT)
Re: AMBER: Jmol 11.7.1 pre-release version reads AMBER trajectory/coordinate files
(Thu Oct 09 2008 - 09:30:32 PDT)
Re: AMBER: Jmol 11.7.1 pre-release version reads AMBER trajectory/coordinate files
(Thu Oct 09 2008 - 06:59:20 PDT)
Re: AMBER: Jmol 11.7.1 pre-release version reads AMBER trajectory/coordinate files
(Wed Oct 08 2008 - 13:55:26 PDT)
AMBER: Jmol 11.7.1 pre-release version reads AMBER trajectory/coordinate files
(Wed Oct 08 2008 - 11:16:55 PDT)
Rogelio Hernández
AMBER: Addions in GB Mode?
(Sun Oct 19 2008 - 10:04:32 PDT)
Ross Walker
RE: AMBER: Trouble compiling Amber 9 leap programs on SGI Altix system
(Fri Oct 31 2008 - 11:22:13 PDT)
RE: AMBER: minimization
(Fri Oct 31 2008 - 08:44:49 PDT)
RE: AMBER: how to ger resp charge for a residue?
(Thu Oct 30 2008 - 21:46:43 PDT)
RE: AMBER: error message of xleap
(Thu Oct 30 2008 - 21:09:47 PDT)
RE: AMBER: minimization
(Thu Oct 30 2008 - 11:48:11 PDT)
amber-developers: FW: AMBER: Duplicate entries with different parameters in gaff.dat from AmberTools 1.2
(Thu Oct 30 2008 - 10:41:27 PDT)
RE: AMBER: Optimal compiling of amber on XT3
(Wed Oct 29 2008 - 22:33:35 PDT)
RE: AMBER: Problem installing PMEMD with intel mpi, ifort
(Tue Oct 28 2008 - 17:41:39 PDT)
RE: AMBER: Conversion between truncated octahedron and orthorohombic box
(Sun Oct 26 2008 - 09:56:50 PDT)
RE: AMBER: Restraining with PMEMD 10
(Sat Oct 25 2008 - 10:25:08 PDT)
RE: AMBER: problem with amber8 installation
(Fri Oct 24 2008 - 07:57:52 PDT)
RE: AMBER: Non bond list error
(Thu Oct 23 2008 - 23:12:20 PDT)
RE: AMBER: Non bond list error
(Thu Oct 23 2008 - 21:56:32 PDT)
RE: AMBER: Non bond list error
(Thu Oct 23 2008 - 11:38:09 PDT)
RE: AMBER: HOLD fixed vs restraint mask
(Tue Oct 21 2008 - 11:33:32 PDT)
RE: AMBER: Again: Installation problem of AMBER on cluster
(Tue Oct 21 2008 - 09:49:50 PDT)
RE: AMBER: Heme cysteine
(Tue Oct 21 2008 - 08:17:08 PDT)
RE: AMBER: scyld beowulf --amber10--openmpi
(Mon Oct 20 2008 - 18:38:04 PDT)
RE: AMBER: cnstph test case failure or expected divergence?
(Mon Oct 20 2008 - 13:41:27 PDT)
RE: AMBER: NAD+ parameters problem using tleap
(Fri Oct 17 2008 - 11:16:41 PDT)
RE: AMBER: Using charmm force field in amber
(Thu Oct 16 2008 - 14:44:30 PDT)
RE: AMBER: Clarification re qmmask
(Thu Oct 16 2008 - 11:14:04 PDT)
RE: AMBER: regarding rigid molecules
(Thu Oct 16 2008 - 07:53:29 PDT)
RE: AMBER: Origin of periodic box
(Wed Oct 15 2008 - 18:57:47 PDT)
RE: AMBER: Amber dipole printout.
(Tue Oct 14 2008 - 13:05:38 PDT)
RE: AMBER: amber10 installation problem in cygwin
(Tue Oct 14 2008 - 09:32:06 PDT)
RE: AMBER: Segmentation fault
(Tue Oct 14 2008 - 07:53:08 PDT)
RE: AMBER: changing pdb structure
(Thu Oct 09 2008 - 20:29:24 PDT)
RE: AMBER: saveamberparm error
(Wed Oct 08 2008 - 08:23:12 PDT)
RE: AMBER: ptraj average structure
(Sat Oct 04 2008 - 07:55:51 PDT)
RE: AMBER: thermodynamic integration with Amber9
(Thu Oct 02 2008 - 10:10:57 PDT)
RE: AMBER: thermodynamic integration with Amber9
(Thu Oct 02 2008 - 08:24:01 PDT)
Rupesh Nanjunda
Re: AMBER: Problem installing PMEMD with intel mpi, ifort
(Thu Oct 30 2008 - 08:07:56 PDT)
Re: AMBER: Problem installing PMEMD with intel mpi, ifort
(Wed Oct 29 2008 - 10:57:06 PDT)
AMBER: Problem installing PMEMD with intel mpi, ifort
(Tue Oct 28 2008 - 14:07:01 PDT)
Ryan Pavlovicz
Re: AMBER: ptraj - closest command
(Wed Oct 08 2008 - 13:49:08 PDT)
AMBER: ptraj - closest command
(Wed Oct 08 2008 - 10:36:17 PDT)
Sadhna Rana
RE: AMBER: thermodynamic integration with Amber9
(Thu Oct 02 2008 - 09:08:27 PDT)
AMBER: thermodynamic integration with Amber9
(Thu Oct 02 2008 - 08:12:47 PDT)
Sally Pias
Re: AMBER: energy leakage?
(Thu Oct 23 2008 - 07:47:28 PDT)
AMBER: energy leakage?
(Thu Oct 23 2008 - 00:25:59 PDT)
Re: AMBER: changing pdb structure
(Sat Oct 11 2008 - 22:00:38 PDT)
Sasha Buzko
Re: AMBER: changing pdb structure
(Thu Oct 09 2008 - 20:48:43 PDT)
Scott Brozell
Re: AMBER: installing amber on new linux
(Wed Oct 22 2008 - 16:53:50 PDT)
Re: AMBER: Installation Error
(Wed Oct 15 2008 - 01:05:48 PDT)
Re: Fwd: AMBER: LEaP problem with LEU first residue?
(Tue Oct 14 2008 - 14:46:36 PDT)
Sean Johnston
Re: AMBER: drug/protein interaction modeling setup
(Fri Oct 31 2008 - 12:31:56 PDT)
AMBER: drug/protein interaction modeling setup
(Mon Oct 20 2008 - 13:10:52 PDT)
Sergey Samsonov
AMBER: Zn2+ Bondi radius value
(Tue Oct 07 2008 - 01:50:10 PDT)
Shaikh Abdul R S Ramaju
RE: AMBER: Heme cysteine
(Tue Oct 21 2008 - 19:46:09 PDT)
AMBER: Heme cysteine
(Tue Oct 21 2008 - 00:16:50 PDT)
RE: AMBER: saveamberparm error
(Thu Oct 09 2008 - 03:53:35 PDT)
RE: AMBER: saveamberparm error
(Wed Oct 08 2008 - 19:24:58 PDT)
AMBER: saveamberparm error
(Wed Oct 08 2008 - 04:33:31 PDT)
RE: AMBER: Amber heme parameters
(Tue Oct 07 2008 - 23:38:59 PDT)
AMBER: Amber heme parameters
(Mon Oct 06 2008 - 23:31:34 PDT)
Siddharth Rastogi
AMBER: Packing density calculation
(Thu Oct 30 2008 - 03:41:58 PDT)
AMBER: large number of solvent molecules were added for protein with 221 AA residues
(Mon Oct 13 2008 - 21:34:58 PDT)
AMBER: High Bfactor values for the terminal residues/atoms
(Mon Oct 13 2008 - 21:19:52 PDT)
sobereva
Re: AMBER: ptraj - closest command
(Wed Oct 08 2008 - 19:49:46 PDT)
Re: AMBER: internal energy INT is not zero from MM_GBSA
(Tue Oct 07 2008 - 07:22:57 PDT)
Re: AMBER: Amber heme parameters
(Tue Oct 07 2008 - 07:02:12 PDT)
steinbrt.rci.rutgers.edu
Re: AMBER: How to assign /make the ionion bond?
(Fri Oct 17 2008 - 16:06:26 PDT)
Stephane Abel
Re: AMBER: AMBER force field for glycolipid
(Thu Oct 09 2008 - 07:08:49 PDT)
AMBER: AMBER force field for glycolipid
(Wed Oct 08 2008 - 05:25:12 PDT)
Steven Winfield
Re: AMBER: regarding rigid molecules
(Thu Oct 16 2008 - 04:30:31 PDT)
suhaib sh
Re: AMBER: Ac-Co Parameters for Amber
(Thu Oct 02 2008 - 02:34:08 PDT)
Re: AMBER: Ac-Co Parameters for Amber
(Wed Oct 01 2008 - 02:05:31 PDT)
TaoPaul
AMBER: the question about "RADIOPT" option in mm_pbsa
(Sat Oct 25 2008 - 04:11:04 PDT)
RE: AMBER: something puzzled with mm_pbsa
(Fri Oct 24 2008 - 19:08:50 PDT)
AMBER: something puzzled with mm_pbsa
(Fri Oct 24 2008 - 03:50:04 PDT)
Taufik Al-Sarraj
Re: AMBER: pdb structure is only half the molecule.
(Fri Oct 24 2008 - 16:15:52 PDT)
AMBER: pdb structure is only half the molecule.
(Thu Oct 23 2008 - 12:42:24 PDT)
AMBER: HOLD fixed vs restraint mask
(Tue Oct 21 2008 - 11:02:34 PDT)
Re: AMBER: changing pdb structure
(Tue Oct 14 2008 - 13:26:33 PDT)
taufik.alsarraj.utoronto.ca
AMBER: changing pdb structure
(Thu Oct 09 2008 - 19:35:07 PDT)
Re: AMBER: xleap fails to savemol2
(Wed Oct 08 2008 - 14:57:30 PDT)
Thomas Leonard
AMBER: pairwise interaction energies
(Sun Oct 12 2008 - 23:12:11 PDT)
Urszula Uciechowska
Re: AMBER: equilibration
(Tue Oct 21 2008 - 04:28:17 PDT)
Re: AMBER: equilibration
(Tue Oct 21 2008 - 04:17:08 PDT)
AMBER: equilibration
(Tue Oct 21 2008 - 03:44:54 PDT)
AMBER: input
(Tue Oct 21 2008 - 02:14:28 PDT)
vijayaraj.clri.res.in
AMBER: amber10 installation problem in cygwin
(Tue Oct 14 2008 - 08:21:19 PDT)
Volodymyr Zloy
AMBER: 2'-5'-branched RNA
(Mon Oct 27 2008 - 09:10:00 PDT)
Wang,Ying
Re: AMBER: Non bond list error
(Thu Oct 23 2008 - 14:58:06 PDT)
RE: AMBER: Non bond list error
(Thu Oct 23 2008 - 12:26:26 PDT)
AMBER: Non bond list error
(Thu Oct 23 2008 - 10:19:49 PDT)
Wei Zhang
Re: AMBER: Error in creating topology file
(Mon Oct 20 2008 - 05:34:40 PDT)
Re: AMBER: saveamberparm error
(Thu Oct 09 2008 - 03:22:45 PDT)
WJ Ding
Re: AMBER: problem with zMatrix in tleap
(Fri Oct 31 2008 - 08:48:27 PDT)
Re: AMBER: how to ger resp charge for a residue?
(Fri Oct 31 2008 - 07:26:48 PDT)
Re: AMBER: problem with zMatrix in tleap
(Fri Oct 31 2008 - 07:23:45 PDT)
AMBER: problem with zMatrix in tleap
(Thu Oct 30 2008 - 21:40:59 PDT)
AMBER: how to ger resp charge for a residue?
(Thu Oct 30 2008 - 21:20:05 PDT)
Ye Mei
AMBER: Is it possible to recover the umbrella file in ABMD simulation after hard disk failure?
(Sat Oct 25 2008 - 05:32:25 PDT)
Re: AMBER: pdb structure is only half the molecule.
(Thu Oct 23 2008 - 20:21:59 PDT)
Re: Re: AMBER: Installation Error
(Wed Oct 15 2008 - 01:54:57 PDT)
Yunierkis Perez Castillo
AMBER: about SASA and AMBER
(Mon Oct 20 2008 - 08:58:06 PDT)
RE: AMBER: question about pression
(Mon Oct 13 2008 - 08:33:45 PDT)
AMBER: question about pression
(Mon Oct 13 2008 - 07:45:38 PDT)
AMBER: ptraj average structure
(Sat Oct 04 2008 - 06:25:42 PDT)
Zhao, Zhen (zhaozh)
AMBER: Amber dipole printout.
(Tue Oct 14 2008 - 10:25:40 PDT)
欧阳德方
RE: AMBER: MM_PBSA problems in AMBER9
(Mon Oct 06 2008 - 22:19:54 PDT)
AMBER: MM_PBSA problems in AMBER9
(Sun Oct 05 2008 - 14:30:12 PDT)
Last message date
:
Sun Nov 02 2008 - 05:09:41 PST
Archived on
: Wed Dec 25 2024 - 05:53:45 PST
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