AMBER Archive (2008) - Jun 2008 By Author

Starting: Sun Jun 01 2008 - 02:12:12 CDT
Ending: Mon Jun 30 2008 - 17:46:45 CDT

• Abhishek Singh
  • AMBER: Regarding force field ff02 and ion library (Mon Jun 30 2008 - 15:54:52 CDT)
• Adrian Roitberg
  • Re: AMBER: SMD RESTRAINTS (Thu Jun 12 2008 - 14:23:26 CDT)
  • Re: AMBER: SMD RESTRAINTS (Thu Jun 12 2008 - 11:51:56 CDT)
  • Re: AMBER: Problem of Ptraj analyze matrix (Mon Jun 09 2008 - 08:51:42 CDT)
  • Re: AMBER: Problems simulating a protein-ligand complex (Sat Jun 07 2008 - 07:36:21 CDT)
• Adrien Delmont
  • Re: AMBER: concerning force fields (Sat Jun 28 2008 - 11:10:05 CDT)
  • Re: AMBER: concerning force fields (Fri Jun 27 2008 - 07:22:08 CDT)
  • Re: AMBER: concerning force fields (Thu Jun 26 2008 - 13:29:39 CDT)
  • AMBER: concerning force fields (Thu Jun 26 2008 - 10:14:15 CDT)
• Alan
  • AMBER: rdparm Segmentation fault (Wed Jun 25 2008 - 16:24:34 CDT)
  • AMBER: rdparm Segmentation fault on Ubuntu (Tue Jun 24 2008 - 10:50:12 CDT)
  • Re: AMBER: rdparm help (Mon Jun 23 2008 - 10:23:50 CDT)
  • AMBER: amber10/dat/leap/cmd/README need update (Mon Jun 23 2008 - 09:59:21 CDT)
  • AMBER: rdparm help (Fri Jun 20 2008 - 06:12:17 CDT)
  • AMBER: about gaff.dat in ambeTools 1.0 (Wed Jun 18 2008 - 09:44:02 CDT)
  • AMBER: to understand GAFF: about A and B coefficients (Tue Jun 17 2008 - 11:42:34 CDT)
  • AMBER: suggestion for next amberTools 1.1 (Tue Jun 17 2008 - 06:01:06 CDT)
  • Re: AMBER: problems with sleap (Mon Jun 16 2008 - 11:07:24 CDT)
  • Re: AMBER: updating documentation (Thu Jun 12 2008 - 18:09:24 CDT)
  • AMBER: updating documentation (Thu Jun 12 2008 - 04:52:40 CDT)
  • Re: AMBER: problems with sleap (Thu Jun 05 2008 - 01:48:03 CDT)
  • AMBER: problems with sleap (Wed Jun 04 2008 - 10:40:04 CDT)
  • Re: AMBER: gasteiger is not working with ambertools 1.0 (Tue Jun 03 2008 - 09:44:07 CDT)
• Alexander Metz
  • AW: AMBER: MM-PBSA (Wed Jun 18 2008 - 05:43:18 CDT)
  • Re: AMBER: Combine mdcrd while stripping WAT problem (Thu Jun 12 2008 - 03:04:08 CDT)
  • Re: AMBER: Combine mdcrd while stripping WAT problem (Thu Jun 12 2008 - 00:59:18 CDT)
• Alfredo Quevedo
  • Re: AMBER: Trajectory in "Sietraj" (Tue Jun 03 2008 - 10:29:24 CDT)
  • Re: AMBER: Trajectory in "Sietraj" (Tue Jun 03 2008 - 09:08:56 CDT)
  • AMBER: Trajectory in "Sietraj" (Tue Jun 03 2008 - 08:35:20 CDT)
• Arturas Ziemys
  • Re: AMBER: sander.MPI / parallel (Mon Jun 16 2008 - 13:19:36 CDT)
  • Re: AMBER: sander.MPI / parallel (Mon Jun 16 2008 - 12:56:57 CDT)
  • AMBER: sander.MPI / parallel (Mon Jun 16 2008 - 12:00:34 CDT)
  • AMBER: sander.MPI / openmpi on PBS (Wed Jun 11 2008 - 13:59:52 CDT)
• Atro Tossavainen
  • Re: AMBER: Installation Problem of AMBER10 (Tue Jun 24 2008 - 09:37:57 CDT)
• Balazs JOJART
  • Re: AMBER: how to derive torsional angle parameters in gaff (Thu Jun 26 2008 - 03:53:40 CDT)
• Barbault Florent
  • Re: AMBER: trajout input (Fri Jun 20 2008 - 04:43:28 CDT)
• bhargav patel
  • Re: AMBER: Installation Problem of AMBER10 (Tue Jun 24 2008 - 05:06:45 CDT)
  • Re: AMBER: Installation Problem of AMBER10 (Fri Jun 20 2008 - 04:07:12 CDT)
  • AMBER: Installation Problem of AMBER10 (Thu Jun 19 2008 - 05:57:26 CDT)
• Bill Ross
  • Re: AMBER: Installation Problem of AMBER10 (Fri Jun 20 2008 - 15:46:35 CDT)
  • Re: AMBER: Installation Problem of AMBER10 (Thu Jun 19 2008 - 12:31:42 CDT)
  • Re: AMBER: potassium ion (Sat Jun 14 2008 - 15:04:31 CDT)
• Biman Jana
  • AMBER: How to adjust the problem of "Vlimit exceeded" (Mon Jun 23 2008 - 02:28:27 CDT)
• Boutheina Kerkeni
  • Re: AMBER: hold atoms fixed (Mon Jun 30 2008 - 08:12:33 CDT)
  • Re: AMBER: hold atoms fixed (Mon Jun 30 2008 - 08:12:33 CDT)
  • AMBER: hold atoms fixed (Mon Jun 30 2008 - 07:51:17 CDT)
• Campbell, Patrick
  • Re:AMBER:VMD Movie.mdcrd (Fri Jun 06 2008 - 13:56:52 CDT)
  • AMBER: VMD Movie .mdcrd file ptraj (Fri Jun 06 2008 - 08:22:50 CDT)
  • AMBER: VMD file generation 4 - mdcrd analysis (Mon Jun 02 2008 - 15:21:00 CDT)
  • RE:AMBER: VMD file generation 4 - mdcrd ptraj analysis (Mon Jun 02 2008 - 14:54:06 CDT)
  • AMBER: VMD file generation 4 - mdcrd ptraj analysis (Mon Jun 02 2008 - 13:26:15 CDT)
• caoch
  • AMBER: local coordinate system question (Wed Jun 25 2008 - 04:33:15 CDT)
• Carlos Simmerling
  • Re: AMBER: hold atoms fixed (Mon Jun 30 2008 - 08:02:19 CDT)
  • Re: AMBER: question about the charge (Fri Jun 27 2008 - 15:52:22 CDT)
  • Re: AMBER: ptraj - read in part of trajectory (Fri Jun 27 2008 - 12:00:32 CDT)
  • Re: AMBER: REMD Amber10 : error in reading namelist cntrl (Fri Jun 27 2008 - 09:47:42 CDT)
  • Re: AMBER: concerning force fields (Fri Jun 27 2008 - 07:34:21 CDT)
  • Re: AMBER: Dihedral Angle Parameters (Thu Jun 26 2008 - 16:30:53 CDT)
  • Re: AMBER: Dihedral Angle Parameters (Thu Jun 26 2008 - 17:20:41 CDT)
  • Re: AMBER: concerning force fields (Thu Jun 26 2008 - 14:25:04 CDT)
  • Re: AMBER: concerning force fields (Thu Jun 26 2008 - 11:16:48 CDT)
  • Re: AMBER: A problem of dihedral angle (Wed Jun 25 2008 - 10:53:16 CDT)
  • Re: AMBER: Installation Problem of AMBER10 (Thu Jun 19 2008 - 06:05:21 CDT)
  • Re: AMBER: How to create average structure? (Wed Jun 18 2008 - 23:52:35 CDT)
  • Re: AMBER: sander.MPI / parallel (Mon Jun 16 2008 - 13:28:04 CDT)
  • Re: AMBER: sander.MPI / parallel (Mon Jun 16 2008 - 12:43:39 CDT)
  • Re: AMBER: MM-GBSA with very positive GB value (Fri Jun 13 2008 - 02:46:55 CDT)
  • Re: AMBER: Combine mdcrd while stripping WAT problem (Thu Jun 12 2008 - 03:05:15 CDT)
  • Re: AMBER: Combine mdcrd while stripping WAT problem (Tue Jun 10 2008 - 03:03:02 CDT)
  • Re: AMBER: problem in starting sander (Sun Jun 08 2008 - 23:36:32 CDT)
  • Re: AMBER: problem in starting sander (Sun Jun 08 2008 - 14:53:33 CDT)
  • Re: AMBER: Combine mdcrd while stripping WAT problem (Sun Jun 08 2008 - 14:33:47 CDT)
  • Re: AMBER: NAN errors still exist (Fri Jun 06 2008 - 05:57:49 CDT)
  • Re: AMBER: NAN errors in Etot, EPtot, EKtot and EELEC (Thu Jun 05 2008 - 07:16:22 CDT)
  • Re: AMBER: syn and anti conformation (Wed Jun 04 2008 - 14:34:31 CDT)
  • Re: AMBER: corrupted restart file (Tue Jun 03 2008 - 05:15:21 CDT)
  • Re: AMBER: VMD file generation 4 - mdcrd ptraj analysis (Mon Jun 02 2008 - 15:06:39 CDT)
  • Re: AMBER: VMD file generation 4 - mdcrd ptraj analysis (Mon Jun 02 2008 - 14:11:24 CDT)
• Catein Catherine
  • RE: AMBER: MM-GBSA with very positive GB value (Fri Jun 13 2008 - 20:49:53 CDT)
  • AMBER: MM-GBSA with very positive GB value (Fri Jun 13 2008 - 02:05:02 CDT)
• Cenk \(Jenk\) Andac
  • Re: AMBER: corrupted restart file (Tue Jun 03 2008 - 05:13:29 CDT)
• Chih-Ying Lin
  • Re: AMBER: Error message: Install Amber9 on fedora 9 (Wed Jun 04 2008 - 22:54:29 CDT)
  • AMBER: Error message: Install Amber9 on fedora 9 (Mon Jun 02 2008 - 17:33:42 CDT)
• Cyril Bauvais
  • AMBER: Re: £º Re: AMBER: problems form the pdb to the mol2 (Wed Jun 25 2008 - 08:00:54 CDT)
  • Re: AMBER: problems form the pdb to the mol2 (Tue Jun 24 2008 - 09:05:36 CDT)
• Daniel B. Kaplan
  • AMBER: (no subject) (Wed Jun 25 2008 - 21:23:43 CDT)
  • AMBER: Antechamber Question (Mon Jun 23 2008 - 11:51:28 CDT)
  • AMBER: (no subject) (Sun Jun 22 2008 - 18:46:17 CDT)
• Daniel Oehme
  • AMBER: MM-PBSA in AMBER 10 (Mon Jun 23 2008 - 20:32:24 CDT)
  • AMBER: MM-PBSA in AMBER 10 (Mon Jun 23 2008 - 00:07:34 CDT)
  • AMBER: MM-PBSA in AMBER 10 (Thu Jun 05 2008 - 22:52:12 CDT)
  • AMBER: MM-PBSA in AMBER 10 (Thu Jun 05 2008 - 00:27:39 CDT)
• Daniel Smith
  • Re: AMBER: [Fwd: failure to load box parameters] (Wed Jun 25 2008 - 13:30:18 CDT)
  • Re: AMBER: [Fwd: failure to load box parameters] (Mon Jun 23 2008 - 16:26:22 CDT)
  • AMBER: [Fwd: failure to load box parameters] (Wed Jun 18 2008 - 22:58:10 CDT)
  • AMBER: Calcium and Magnesium LJ parameters (Mon Jun 09 2008 - 18:02:28 CDT)
• David A. Case
  • Re: AMBER: Regarding force field ff02 and ion library (Mon Jun 30 2008 - 16:14:37 CDT)
  • Re: AMBER: error in reading namelist cntrl (Mon Jun 30 2008 - 15:28:36 CDT)
  • Re: AMBER: NMR refinement (Mon Jun 30 2008 - 09:44:51 CDT)
  • Re: AMBER: How to extract solvent box information from .rst or .mdcrd files? (Sat Jun 28 2008 - 11:37:45 CDT)
  • Re: AMBER: (Fri Jun 27 2008 - 13:55:04 CDT)
  • Re: AMBER: Test scripts (Fri Jun 27 2008 - 11:44:25 CDT)
  • Re: AMBER: sleap - TER-card (Thu Jun 26 2008 - 20:19:01 CDT)
  • Re: AMBER: rdparm Segmentation fault (Wed Jun 25 2008 - 19:07:20 CDT)
  • Re: AMBER: sleap - TER-card (Wed Jun 25 2008 - 17:05:59 CDT)
  • Re: AMBER: [Fwd: failure to load box parameters] (Wed Jun 25 2008 - 14:09:28 CDT)
  • Re: AMBER: amber10 compile gfortran question (Wed Jun 25 2008 - 14:03:54 CDT)
  • Re: AMBER: local coordinate system question (Wed Jun 25 2008 - 09:32:16 CDT)
  • Re: AMBER: Compilation of amber8 patched with ramd (Tue Jun 24 2008 - 17:06:15 CDT)
  • Re: AMBER: [Fwd: failure to load box parameters] (Tue Jun 24 2008 - 10:14:51 CDT)
  • Re: AMBER: Compilation of amber8 patched with ramd (Tue Jun 24 2008 - 09:55:10 CDT)
  • Re: AMBER: Installation Problem of AMBER10 (Tue Jun 24 2008 - 09:49:26 CDT)
  • Re: AMBER: problems form the pdb to the mol2 (Mon Jun 23 2008 - 20:51:46 CDT)
  • Re: AMBER: MM-PBSA in AMBER 10 (Mon Jun 23 2008 - 20:47:44 CDT)
  • Re: AMBER: How to adjust the problem of "Vlimit exceeded" (Mon Jun 23 2008 - 10:16:05 CDT)
  • Re: AMBER: How to confirm atom types of small molecule perceived by antechamber (Mon Jun 23 2008 - 09:56:17 CDT)
  • Re: AMBER: Installation Problem of AMBER10 (Fri Jun 20 2008 - 14:34:09 CDT)
  • Re: AMBER: AmberTools 1.0 installation error: x86_64 (Fri Jun 20 2008 - 11:17:35 CDT)
  • Re: AMBER: simple sander (Thu Jun 19 2008 - 20:40:46 CDT)
  • Re: AMBER: [Fwd: segmentation fault in nmode] (Thu Jun 19 2008 - 19:22:34 CDT)
  • Re: AMBER: Installation Problem of AMBER10 (Thu Jun 19 2008 - 09:53:03 CDT)
  • Re: AMBER: [Fwd: failure to load box parameters] (Thu Jun 19 2008 - 00:35:53 CDT)
  • Re: AMBER: tip3p water and shake (Thu Jun 19 2008 - 00:15:48 CDT)
  • Re: libpdb, ptraj, and nab Was: Re: AMBER: suggestion for next amberTools 1.1 (Wed Jun 18 2008 - 19:32:36 CDT)
  • Re: AMBER: sp carbon notation? (Wed Jun 18 2008 - 19:22:14 CDT)
  • Re: AMBER: to understand GAFF: about A and B coefficients (Tue Jun 17 2008 - 11:52:41 CDT)
  • Re: AMBER: suggestion for next amberTools 1.1 (Tue Jun 17 2008 - 10:42:14 CDT)
  • Re: AMBER: "Dumping RAW 2D RMS data is not yet implemented"? (Tue Jun 17 2008 - 10:18:08 CDT)
  • Re: AMBER: [Fwd: segmentation fault in nmode] (Mon Jun 16 2008 - 18:42:47 CDT)
  • Re: AMBER: sander.MPI / parallel (Mon Jun 16 2008 - 13:33:35 CDT)
  • Re: AMBER: problems with sleap (Mon Jun 16 2008 - 10:48:42 CDT)
  • Re: AMBER: Problem with running refinement of NMR structures with RDCs (Sun Jun 15 2008 - 20:50:53 CDT)
  • Re: AMBER: PROBLEM: AmberTools Installation using Ubuntu (Sat Jun 14 2008 - 14:09:02 CDT)
  • Re: AMBER: Sander crashes >99999 atoms (Fri Jun 13 2008 - 11:59:32 CDT)
  • Re: AMBER: updating documentation (Fri Jun 13 2008 - 11:52:14 CDT)
  • Re: AMBER: Sander crashes >99999 atoms (Thu Jun 12 2008 - 20:25:31 CDT)
  • Re: AMBER: using Velocity-Verlet algorithm (Thu Jun 12 2008 - 11:09:49 CDT)
  • Re: AMBER: Antechamber and topology file (Thu Jun 12 2008 - 11:03:50 CDT)
  • Re: AMBER: Coordinated Zinc (Thu Jun 12 2008 - 10:59:42 CDT)
  • Re: AMBER: updating documentation (Thu Jun 12 2008 - 10:10:36 CDT)
  • Re: AMBER: anisotropic pressure scaling ntp=2 (Thu Jun 12 2008 - 10:13:52 CDT)
  • Re: AMBER: Help--Great distortion of N terminal nitrogen at the very beginning of heating (Wed Jun 11 2008 - 12:53:20 CDT)
  • Re: AMBER: box shape changed at NVT (Wed Jun 11 2008 - 10:18:46 CDT)
  • Re: AMBER: PROBLEM: AmberTools Installation using Ubuntu (Wed Jun 11 2008 - 10:15:00 CDT)
  • Re: AMBER: Help--Great distortion of N terminal nitrogen at the very beginning of heating (Tue Jun 10 2008 - 07:50:27 CDT)
  • Re: AMBER: Problem of Ptraj analyze matrix (Sun Jun 08 2008 - 20:38:13 CDT)
  • Re: AMBER: NAB documentation (Sun Jun 08 2008 - 20:38:05 CDT)
  • Re: AMBER: A problem of installing Amber10 (Fri Jun 06 2008 - 15:21:52 CDT)
  • Re: AMBER: Problems simulating a protein-ligand complex (Fri Jun 06 2008 - 13:59:52 CDT)
  • Re: AMBER: Error message: Install Amber9 on fedora 9 (Thu Jun 05 2008 - 14:17:50 CDT)
  • Re: AMBER: A problem of installing Amber10 (Thu Jun 05 2008 - 14:13:16 CDT)
  • Re: AMBER: Nmode - entropy calculation of receptor - should I apply restraint? (Thu Jun 05 2008 - 13:50:16 CDT)
  • Re: AMBER: NMODE units and hrmax value for Langevine modes (Thu Jun 05 2008 - 13:12:24 CDT)
  • Re: AMBER: A problem of installing Amber10 (Thu Jun 05 2008 - 12:49:58 CDT)
  • Re: AMBER: problems with sleap (Wed Jun 04 2008 - 18:52:00 CDT)
  • Re: AMBER: amber installation on cluster (Wed Jun 04 2008 - 12:55:39 CDT)
  • Re: AMBER: NMODE units and hrmax value for Langevine modes (Wed Jun 04 2008 - 12:30:36 CDT)
  • Re: AMBER: solvate box : buffer list (Tue Jun 03 2008 - 13:22:16 CDT)
  • Re: AMBER: Temperature controlling method in AMBER (Tue Jun 03 2008 - 09:56:51 CDT)
  • Re: AMBER: gasteiger is not working with ambertools 1.0 (Mon Jun 02 2008 - 19:12:55 CDT)
  • Re: AMBER: note on the molsurf and "Assertion `sarg1 >= 0.0' failed" error (Mon Jun 02 2008 - 18:23:46 CDT)
  • Re: AMBER: MAXAT can not be changed for AMBERTool 1.0 (Mon Jun 02 2008 - 18:15:38 CDT)
  • Re: AMBER: Error message: Install Amber9 on fedora 9 (Mon Jun 02 2008 - 18:04:48 CDT)
  • Re: AMBER: Building ppc64 AMBER10 with xlf fortran 11.1 (Mon Jun 02 2008 - 12:56:16 CDT)
• David Case
  • Re: AMBER: PROBLEM: AmberTools Installation using Ubuntu (Fri Jun 06 2008 - 11:25:45 CDT)
  • AMBER: NAB documentation (Fri Jun 06 2008 - 11:24:44 CDT)
  • Re: AMBER: Ptraj / ambmask | Using distance-based masks to strip a trajectory (Fri Jun 06 2008 - 11:27:06 CDT)
• David LeBard
  • Re: AMBER: sander.MPI / parallel (Mon Jun 16 2008 - 13:07:21 CDT)
  • Re: AMBER: sander.MPI / parallel (Mon Jun 16 2008 - 13:08:20 CDT)
• David Mobley
  • Re: AMBER: improving GAFF sulfonamide parameters (Thu Jun 26 2008 - 15:50:03 CDT)
  • Re: AMBER: Free energy of dissociation (Thu Jun 05 2008 - 11:22:24 CDT)
  • Re: AMBER: Jarzynski (Mon Jun 02 2008 - 12:25:16 CDT)
• David Watson
  • Re: AMBER: VMD Movie .mdcrd file ptraj (Fri Jun 06 2008 - 09:57:16 CDT)
• Dong Xu
  • AMBER: ligand partial charge and conformation question (Thu Jun 26 2008 - 13:01:31 CDT)
  • Re: AMBER: Antechamber/mopac am1-bcc charge (Thu Jun 26 2008 - 01:21:03 CDT)
  • AMBER: Antechamber/mopac am1-bcc charge (Wed Jun 25 2008 - 17:09:39 CDT)
• dpandit_at_brandeis.edu
  • Re: AMBER: PTRAJ - Segmentation Fault (Wed Jun 11 2008 - 14:40:25 CDT)
  • AMBER: Trajectory - Average Structure - Equilibration (Wed Jun 11 2008 - 14:37:46 CDT)
  • RE: AMBER: Equilibration/Heating - Protein fixed -Problem (Wed Jun 11 2008 - 13:17:56 CDT)
  • Re: AMBER: PTRAJ - Segmentation Fault (Wed Jun 11 2008 - 12:48:54 CDT)
  • AMBER: Equilibration/Heating - Protein fixed -Problem (Wed Jun 11 2008 - 10:31:40 CDT)
  • AMBER: PTRAJ - Segmentation Fault (Tue Jun 10 2008 - 16:36:08 CDT)
• Dr. Xiaofeng (Frank) Duan
  • AMBER: qmmm_DFTB problem (Tue Jun 24 2008 - 08:58:46 CDT)
• E.M.
  • Re: AMBER: Eigenmode dynamics - imaging traj (Wed Jun 18 2008 - 06:16:49 CDT)
• Ed Pate
  • AMBER: Amber 10 timing (Fri Jun 20 2008 - 12:08:37 CDT)
  • AMBER: amber10 installation problem (Tue Jun 10 2008 - 15:59:47 CDT)
• fatima.chami_at_durham.ac.uk
  • AMBER: (no subject) (Mon Jun 30 2008 - 11:26:23 CDT)
  • AMBER: wrapping a restart file (Mon Jun 30 2008 - 09:40:58 CDT)
  • Re: AMBER: hold atoms fixed (Mon Jun 30 2008 - 08:16:09 CDT)
  • AMBER: Constrained group (Mon Jun 30 2008 - 04:54:02 CDT)
  • AMBER: Group specification problem (Fri Jun 27 2008 - 07:59:09 CDT)
  • Re: SV: AMBER: Correlation functions from iRED analysis (Thu Jun 19 2008 - 11:05:36 CDT)
  • Re: Re: AMBER: How to extract solvent box information from .rst or .mdcrd files? (Thu Jun 19 2008 - 11:00:32 CDT)
  • Re: AMBER: How to extract solvent box information from .rst or .mdcrd files? (Thu Jun 19 2008 - 09:47:50 CDT)
  • RE: AMBER: Correlation functions from iRED analysis (Thu Jun 19 2008 - 08:46:22 CDT)
  • RE: AMBER: Correlation functions from iRED analysis (Thu Jun 19 2008 - 08:43:39 CDT)
  • AMBER: how to extract x,y,z of a set of atoms from an MD trajectories (Thu Jun 19 2008 - 04:16:52 CDT)
  • AMBER: cross correlation function using iRED matrix (Wed Jun 18 2008 - 12:07:25 CDT)
  • AMBER: ptraj (Wed Jun 18 2008 - 10:21:50 CDT)
  • AMBER: Eigenmode dynamics - imaging traj (Wed Jun 18 2008 - 05:09:26 CDT)
  • Re: AMBER: multiple dihedral restraints using group (in Amber 10) (Wed Jun 18 2008 - 05:05:40 CDT)
  • AMBER: IRED to time correlation (Mon Jun 16 2008 - 15:25:22 CDT)
  • AMBER: Eigenmode dynamics in Ptraj (Mon Jun 16 2008 - 07:59:42 CDT)
  • Re: AMBER: SMD RESTRAINTS (Thu Jun 12 2008 - 12:07:49 CDT)
  • AMBER: SMD RESTRAINTS (Thu Jun 12 2008 - 11:23:00 CDT)
  • AMBER: anisotropic pressure scaling ntp=2 (Thu Jun 12 2008 - 08:18:13 CDT)
  • AMBER: box shape changed at NVT (Wed Jun 11 2008 - 09:25:09 CDT)
  • AMBER: SMD pulling velocity (Tue Jun 10 2008 - 09:06:38 CDT)
  • Re: AMBER: Free energy of dissociation (Thu Jun 05 2008 - 10:13:03 CDT)
  • AMBER: Free energy of dissociation (Thu Jun 05 2008 - 07:02:43 CDT)
  • Re: AMBER: solvate box : buffer list (Wed Jun 04 2008 - 05:07:06 CDT)
  • AMBER: solvate box : buffer list (Tue Jun 03 2008 - 12:51:55 CDT)
• Florian Haberl
  • Re: AMBER: Trajectory in "Sietraj" (Tue Jun 03 2008 - 08:41:31 CDT)
• Floris Buelens
  • AMBER: improving GAFF sulfonamide parameters (Tue Jun 17 2008 - 04:57:46 CDT)
• Francesco Pietra
  • AMBER: Seed for random number generator (Sun Jun 29 2008 - 03:22:12 CDT)
  • Re: AMBER: Antechamber/mopac am1-bcc charge (Sat Jun 28 2008 - 12:22:44 CDT)
  • Re: AMBER: Antechamber/mopac am1-bcc charge (Fri Jun 27 2008 - 17:02:21 CDT)
  • Re: AMBER: Antechamber/mopac am1-bcc charge (Thu Jun 26 2008 - 12:29:12 CDT)
  • Re: AMBER: Compilation of amber8 patched with ramd (Wed Jun 25 2008 - 03:17:59 CDT)
  • Re: AMBER: Compilation of amber8 patched with ramd (Tue Jun 24 2008 - 16:52:09 CDT)
  • Re: AMBER: Compilation of amber8 patched with ramd (Tue Jun 24 2008 - 11:28:18 CDT)
  • AMBER: Compilation of amber8 patched with ramd (Tue Jun 24 2008 - 09:32:54 CDT)
  • Re: AMBER: Combine mdcrd while stripping WAT problem (Thu Jun 12 2008 - 02:09:28 CDT)
  • Re: AMBER: Combine mdcrd while stripping WAT problem (Wed Jun 11 2008 - 09:57:59 CDT)
  • Re: AMBER: Combine mdcrd while stripping WAT problem (Tue Jun 10 2008 - 02:37:34 CDT)
  • AMBER: Combine mdcrd while stripping WAT problem (Sun Jun 08 2008 - 10:40:07 CDT)
  • Fw: RE: AMBER: SANDER and PMEMD with openmpi. NO MORE failure 'make test.pmemd' (Mon Jun 02 2008 - 05:22:38 CDT)
  • RE: AMBER: SANDER and PMEMD with openmpi. Failure 'make test.pmemd' (Sun Jun 01 2008 - 02:12:12 CDT)
• FyD
  • Re: AMBER: Antechamber/mopac am1-bcc charge (Sun Jun 29 2008 - 08:18:15 CDT)
  • Re: AMBER: Antechamber/mopac am1-bcc charge (Sat Jun 28 2008 - 02:47:54 CDT)
  • Re: AMBER: Antechamber/mopac am1-bcc charge (Fri Jun 27 2008 - 04:07:45 CDT)
  • Re: AMBER: Antechamber/mopac am1-bcc charge (Thu Jun 26 2008 - 15:53:20 CDT)
  • Re: AMBER: about resp charges (Tue Jun 17 2008 - 07:58:03 CDT)
  • Re: AMBER: Coordinated Zinc (Fri Jun 13 2008 - 02:56:08 CDT)
• Germain Vallverdu
  • AMBER: dihedral potential with odd periodicity (Tue Jun 24 2008 - 09:43:26 CDT)
  • AMBER: source of AMBER9 (Mon Jun 23 2008 - 09:09:29 CDT)
• Guillaume Renvez
  • Re: AMBER: [Fwd: segmentation fault in nmode] (Mon Jun 23 2008 - 03:27:27 CDT)
  • Re: AMBER: [Fwd: segmentation fault in nmode] (Tue Jun 17 2008 - 02:48:34 CDT)
  • Re: AMBER: [Fwd: segmentation fault in nmode] (Tue Jun 17 2008 - 02:50:33 CDT)
  • AMBER: [Fwd: segmentation fault in nmode] (Mon Jun 16 2008 - 09:31:12 CDT)
• Gustavo Seabra
  • Re: AMBER: wrapping a restart file (Mon Jun 30 2008 - 10:31:53 CDT)
  • Re: AMBER: hold atoms fixed (Mon Jun 30 2008 - 09:10:53 CDT)
  • Re: AMBER: qmmm_DFTB problem (Tue Jun 24 2008 - 09:31:15 CDT)
  • Re: AMBER: Compile amber10 parallel with suppied LAM (Thu Jun 12 2008 - 13:20:24 CDT)
  • Re: AMBER: Compile amber10 parallel with suppied LAM (Thu Jun 12 2008 - 12:39:34 CDT)
  • Re: AMBER: QM/MM (Wed Jun 11 2008 - 10:22:16 CDT)
  • Re: AMBER: SMD pulling velocity (Tue Jun 10 2008 - 09:22:48 CDT)
  • Re: AMBER: Combine mdcrd while stripping WAT problem (Sun Jun 08 2008 - 13:58:34 CDT)
  • Re: AMBER: Free energy of dissociation (Thu Jun 05 2008 - 08:41:03 CDT)
• Hannes Kopitz
  • Re: AMBER: How to solve - Missing BELE for MM in 1 in amber. (Tue Jun 17 2008 - 03:32:31 CDT)
  • Re: AMBER: PCAL and polar contribution in the output file (Sun Jun 15 2008 - 08:30:23 CDT)
• Harry (Yicun) Ni
  • Re: AMBER: question about the charge (Fri Jun 27 2008 - 18:57:37 CDT)
  • AMBER: question about the charge (Fri Jun 27 2008 - 15:37:55 CDT)
  • Re: AMBER: A problem of dihedral angle (Wed Jun 25 2008 - 14:42:09 CDT)
  • AMBER: A problem of dihedral angle (Wed Jun 25 2008 - 10:31:24 CDT)
• Harry Ni
  • Re: AMBER: A problem of installing Amber10 (Fri Jun 06 2008 - 16:36:48 CDT)
  • Re: AMBER: A problem of installing Amber10 (Fri Jun 06 2008 - 14:00:19 CDT)
  • Re: AMBER: A problem of installing Amber10 (Thu Jun 05 2008 - 13:27:23 CDT)
• Hu, Shaowen (JSC-SK)[USRA]
  • AMBER: MAXAT can not be changed for AMBERTool 1.0 (Mon Jun 02 2008 - 14:41:54 CDT)
• Ian
  • Re: AMBER: Ptraj / ambmask | Using distance-based masks to strip a trajectory (Wed Jun 11 2008 - 05:53:42 CDT)
  • AMBER: Ptraj / ambmask | Using distance-based masks to strip a trajectory (Fri Jun 06 2008 - 04:19:58 CDT)
• Ibrahim Moustafa
  • AMBER: PCA analysis (Mon Jun 02 2008 - 16:09:17 CDT)
  • AMBER: PCA - analysis (Sun Jun 01 2008 - 13:00:35 CDT)
• Ilyas Yildirim
  • Re: AMBER: Dihedral Angle Parameters (Thu Jun 26 2008 - 17:07:55 CDT)
  • AMBER: Dihedral Angle Parameters (Thu Jun 26 2008 - 16:07:16 CDT)
• In Hee Park
  • Re: AMBER: sleap - TER-card (Thu Jun 26 2008 - 19:31:40 CDT)
  • AMBER: sleap - TER-card (Wed Jun 25 2008 - 14:14:39 CDT)
• JAMES W CALDWELL
  • Re: AMBER: simple sander (Thu Jun 19 2008 - 20:47:32 CDT)
  • Re: AMBER: [Fwd: segmentation fault in nmode] (Mon Jun 16 2008 - 19:53:03 CDT)
• James W. Caldwell
  • RE: AMBER: Test scripts (Fri Jun 27 2008 - 11:54:56 CDT)
  • AMBER: Test scripts (Fri Jun 27 2008 - 11:35:26 CDT)
  • RE: AMBER: amber10 compile gfortran question (Wed Jun 25 2008 - 14:11:58 CDT)
  • AMBER: amber10 compile gfortran question (Wed Jun 25 2008 - 13:10:58 CDT)
  • AMBER: simple sander (Thu Jun 19 2008 - 18:30:39 CDT)
  • AMBER: amber10 make fails for static/parallel (Fri Jun 13 2008 - 17:50:19 CDT)
  • RE: AMBER: Compile amber10 parallel with suppied LAM (Fri Jun 13 2008 - 12:17:57 CDT)
  • RE: AMBER: Compile amber10 parallel with suppied LAM (Fri Jun 13 2008 - 12:06:19 CDT)
  • RE: AMBER: Compile amber10 parallel with suppied LAM (Thu Jun 12 2008 - 13:08:54 CDT)
  • RE: AMBER: Compile amber10 parallel with suppied LAM (Thu Jun 12 2008 - 12:32:13 CDT)
  • AMBER: Compile amber10 parallel with suppied LAM (Thu Jun 12 2008 - 11:31:03 CDT)
• Jarrod Smith
  • Re: AMBER: Building ppc64 AMBER10 with xlf fortran 11.1 (Tue Jun 03 2008 - 14:29:31 CDT)
  • AMBER: Building ppc64 AMBER10 with xlf fortran 11.1 (Mon Jun 02 2008 - 11:43:24 CDT)
• Jens Lattig
  • Re: AMBER: PROBLEM: AmberTools Installation using Ubuntu (Wed Jun 11 2008 - 03:59:12 CDT)
  • Re: AMBER: PROBLEM: AmberTools Installation using Ubuntu (Tue Jun 10 2008 - 03:00:08 CDT)
  • AMBER: PROBLEM: AmberTools Installation using Ubuntu (Fri Jun 06 2008 - 03:13:06 CDT)
  • AMBER: netcdf configure returned 1 - PROBLEM SOLVED (Thu Jun 05 2008 - 09:42:03 CDT)
  • AMBER: netcdf configure returned 1 (Thu Jun 05 2008 - 08:46:45 CDT)
• Jerome.GOLEBIOWSKI_at_unice.fr
  • Re: AMBER: dihedral energy calculation inconsistent with gaussian's result (Tue Jun 24 2008 - 03:01:35 CDT)
• Jianyin Shao
  • Re: AMBER: "Dumping RAW 2D RMS data is not yet implemented"? (Tue Jun 17 2008 - 10:36:01 CDT)
  • Re: AMBER: 2D RMS plot (Wed Jun 11 2008 - 17:17:43 CDT)
  • Re: AMBER: PTRAJ - Segmentation Fault (Wed Jun 11 2008 - 11:01:07 CDT)
  • Re: AMBER: Ptraj / ambmask | Using distance-based masks to strip a trajectory (Wed Jun 11 2008 - 10:55:12 CDT)
  • Re: AMBER: ptraj imaging issue (Thu Jun 05 2008 - 11:23:52 CDT)
  • Re: AMBER: ptraj imaging issue (Wed Jun 04 2008 - 16:25:27 CDT)
• Joachim Reichelt
  • Re: AMBER: nmode analysis (Mon Jun 30 2008 - 07:36:32 CDT)
  • AMBER: nmode analysis (Mon Jun 30 2008 - 06:53:21 CDT)
• John Bennett
  • AMBER: missing torsion parameters (Mon Jun 30 2008 - 16:06:07 CDT)
• John Palmeri
  • AMBER: Debugf AMBER9 (Wed Jun 25 2008 - 02:38:53 CDT)
• Jufang Shan
  • Re: AMBER: ptraj has trouble with x-plor psf file from VMD (Mon Jun 02 2008 - 10:52:28 CDT)
• Junmei Wang
  • Re: AMBER: Antechamber/mopac am1-bcc charge (Fri Jun 27 2008 - 10:35:23 CDT)
  • Re: AMBER: Antechamber/mopac am1-bcc charge (Thu Jun 26 2008 - 17:25:32 CDT)
  • Re: AMBER: Antechamber/mopac am1-bcc charge (Thu Jun 26 2008 - 13:27:10 CDT)
  • Re: AMBER: Antechamber/mopac am1-bcc charge (Thu Jun 26 2008 - 09:33:44 CDT)
  • Re: AMBER: Antechamber/mopac am1-bcc charge (Wed Jun 25 2008 - 17:44:07 CDT)
  • AMBER: Re: AMBER: Re: £º Re: AMBER: problems form the pdb to the mol2 (Wed Jun 25 2008 - 11:29:44 CDT)
  • AMBER: how to derive torsional angle parameters in gaff (Tue Jun 24 2008 - 20:45:42 CDT)
  • Re: AMBER: Further request answers from Dr. Junmei Wang (Tue Jun 24 2008 - 11:58:49 CDT)
  • Re: AMBER: improving GAFF sulfonamide parameters (Tue Jun 24 2008 - 09:34:28 CDT)
  • Re: AMBER: problems form the pdb to the mol2 (Tue Jun 24 2008 - 08:47:24 CDT)
  • Re: AMBER: about gaff.dat in ambeTools 1.0 (Tue Jun 24 2008 - 08:37:09 CDT)
  • Re: AMBER: Antechamber Question (Tue Jun 24 2008 - 08:33:58 CDT)
  • Re: AMBER: GAFF for organic crystals (Mon Jun 23 2008 - 10:16:50 CDT)
  • Re: AMBER: (no subject) (Mon Jun 23 2008 - 10:01:39 CDT)
  • Re: AMBER: How to confirm atom types of small molecule perceived by antechamber (Mon Jun 23 2008 - 09:57:18 CDT)
  • Re: AMBER: Missing gaff angle parameters for dimethyl esters (Tue Jun 03 2008 - 08:19:25 CDT)
• Karl Kirschner (kkirschn)
  • Re: AMBER: concerning force fields (Fri Jun 27 2008 - 08:02:03 CDT)
• Kateryna Miroshnychenko
  • Re: AMBER: note on the molsurf and "Assertion `sarg1 >= 0.0' failed" error (Tue Jun 03 2008 - 02:05:51 CDT)
• Khaled Barakat
  • AMBER: Coordinated Zinc (Wed Jun 11 2008 - 14:29:18 CDT)
• Lars Skjærven
  • Re: AMBER: potassium ion (Thu Jun 12 2008 - 12:46:36 CDT)
• Laura Benton
  • AMBER: sp carbon notation? (Wed Jun 18 2008 - 18:16:35 CDT)
• Lin, Pohan
  • RE: AMBER: Missing gaff angle parameters for dimethyl esters (Tue Jun 03 2008 - 14:56:32 CDT)
  • AMBER: Missing gaff angle parameters for dimethyl esters (Mon Jun 02 2008 - 16:20:24 CDT)
• M. L. Dodson
  • libpdb, ptraj, and nab Was: Re: AMBER: suggestion for next amberTools 1.1 (Wed Jun 18 2008 - 10:43:44 CDT)
  • Re: AMBER: Problems simulating a protein-ligand complex (Sat Jun 07 2008 - 09:53:57 CDT)
• Maria Frushicheva
  • AMBER: error in reading namelist cntrl (Mon Jun 30 2008 - 15:02:50 CDT)
• Mark Williamson
  • Re: AMBER: nmode analysis (Mon Jun 30 2008 - 07:12:09 CDT)
  • Re: AMBER: SIZE.h problems (Sat Jun 21 2008 - 16:22:37 CDT)
  • Re: AMBER: questions about gaff (Wed Jun 18 2008 - 21:35:42 CDT)
  • Re: AMBER: PROBLEM: AmberTools Installation using Ubuntu (Sat Jun 14 2008 - 10:13:18 CDT)
  • Re: AMBER: PROBLEM: AmberTools Installation using Ubuntu (Tue Jun 10 2008 - 06:31:48 CDT)
• Matthew Danielson
  • AMBER: AmberTools 1.0 installation error: x86_64 (Fri Jun 20 2008 - 10:44:21 CDT)
• Miguel Ortiz-Lombardía
  • Re: AMBER: MM-PBSA (Wed Jun 18 2008 - 09:41:12 CDT)
• mkseo
  • AMBER: multiple dihedral restraints using group (in Amber 10) (Tue Jun 17 2008 - 16:00:50 CDT)
• mori_at_cerm.unifi.it
  • Re: AMBER: ligand complexed simulation (Tue Jun 17 2008 - 06:15:11 CDT)
• Myunggi Yi
  • Re: AMBER: Correlation functions from iRED analysis (Thu Jun 19 2008 - 11:06:36 CDT)
  • Re: AMBER: Correlation functions from iRED analysis (Thu Jun 19 2008 - 08:14:51 CDT)
  • Re: AMBER: Correlation functions from iRED analysis (Thu Jun 19 2008 - 07:52:55 CDT)
  • Re: AMBER: cross correlation function using iRED matrix (Wed Jun 18 2008 - 13:07:03 CDT)
  • Re: AMBER: Eigenmode dynamics - imaging traj (Wed Jun 18 2008 - 08:33:07 CDT)
• Navnit Kumar Mishra
  • Re: AMBER: MM-PBSA and delphi (Mon Jun 09 2008 - 04:05:38 CDT)
• Neha Gandhi
  • AMBER: MM-PBSA (Wed Jun 18 2008 - 02:37:33 CDT)
  • Re: AMBER: PCAL and polar contribution in the output file (Sun Jun 15 2008 - 08:56:20 CDT)
  • AMBER: PCAL and polar contribution in the output file (Fri Jun 13 2008 - 00:42:54 CDT)
  • Re: AMBER: MM-PBSA and delphi (Mon Jun 09 2008 - 04:57:21 CDT)
  • Re: AMBER: MM-PBSA and delphi (Mon Jun 09 2008 - 00:56:00 CDT)
  • AMBER: MM-PBSA and delphi (Mon Jun 09 2008 - 00:49:54 CDT)
  • AMBER: Query on MM-PBSA (Fri Jun 06 2008 - 00:46:32 CDT)
• oguz gurbulak
  • AMBER: using Velocity-Verlet algorithm (Thu Jun 12 2008 - 07:07:20 CDT)
• Pankaj R. Daga
  • AMBER: amber installation on cluster (Wed Jun 04 2008 - 12:27:57 CDT)
• Panwang Zhou
  • Re: Re: AMBER: How to extract solvent box information from .rst or .mdcrd files? (Thu Jun 19 2008 - 10:34:02 CDT)
  • AMBER: How to extract solvent box information from .rst or .mdcrd files? (Thu Jun 19 2008 - 09:13:18 CDT)
• Pavan G
  • AMBER: Ewald error estimate (Sun Jun 15 2008 - 09:22:48 CDT)
• Peseckis, Steven M.
  • AMBER: RE: AMBER 10 failure to run in UBUNTU (Sun Jun 29 2008 - 19:13:38 CDT)
  • AMBER: (Thu Jun 26 2008 - 10:54:05 CDT)
• plmallip_at_mail.uh.edu
  • Re: AMBER: Sander crashes >99999 atoms (Thu Jun 12 2008 - 23:47:47 CDT)
  • AMBER: Sander crashes >99999 atoms (Thu Jun 12 2008 - 18:26:57 CDT)
• Praveena Gopal
  • AMBER: NAN errors still exist (Fri Jun 06 2008 - 04:56:58 CDT)
  • Re: AMBER: NAN errors in Etot, EPtot, EKtot and EELEC (Fri Jun 06 2008 - 01:16:40 CDT)
  • AMBER: NAN errors in Etot, EPtot, EKtot and EELEC (Thu Jun 05 2008 - 07:04:00 CDT)
• Purisima, Enrico
  • RE: AMBER: Trajectory in "Sietraj" (Tue Jun 03 2008 - 09:39:49 CDT)
  • RE: AMBER: Trajectory in "Sietraj" (Tue Jun 03 2008 - 08:55:20 CDT)
• Q733
  • AMBER: dihedral energy calculation inconsistent with gaussian's result (Mon Jun 23 2008 - 21:43:36 CDT)
• Qi Yan
  • AMBER: How to get all eigenvalues by "analyze matrix" (Thu Jun 12 2008 - 12:39:52 CDT)
  • AMBER: Question for how to get all eigenvalues by "analyze matrix" (Wed Jun 11 2008 - 16:34:40 CDT)
  • RE: AMBER: MM-PBSA and delphi (Mon Jun 09 2008 - 14:58:28 CDT)
  • RE: AMBER: Problem of Ptraj analyze matrix (Mon Jun 09 2008 - 09:47:16 CDT)
  • AMBER: Problem of Ptraj analyze matrix (Mon Jun 09 2008 - 08:37:01 CDT)
  • AMBER: Problem of Ptraj analyze matrix (Sat Jun 07 2008 - 13:24:55 CDT)
• Qi Zhang
  • Re: AMBER: problems with sleap (Mon Jun 16 2008 - 06:46:26 CDT)
  • AMBER: Problem with running refinement of NMR structures with RDCs (Sun Jun 15 2008 - 15:20:21 CDT)
• Qiuting Hong
  • Re: AMBER: problem in starting sander (Sun Jun 08 2008 - 21:40:52 CDT)
  • Re: AMBER: problem in starting sander (Sun Jun 08 2008 - 16:52:34 CDT)
  • AMBER: problem in starting sander (Sun Jun 08 2008 - 13:25:43 CDT)
• Rabin
  • AMBER: unsubscribe amber (Wed Jun 25 2008 - 19:48:51 CDT)
  • AMBER: syn and anti conformation (Wed Jun 04 2008 - 14:29:58 CDT)
• Rabone, Jeremy
  • AMBER: GAFF for organic crystals (Fri Jun 20 2008 - 03:05:18 CDT)
• rams rams
  • AMBER: program to calculate rmsd (Mon Jun 16 2008 - 21:28:24 CDT)
• Ramu Anandakrishnan
  • Re: AMBER: NAB documentation (Fri Jun 06 2008 - 23:08:51 CDT)
• ramu_at_vt.edu
  • AMBER: NAB documentation for programmers (Wed Jun 04 2008 - 13:59:27 CDT)
• Ranga Swamy
  • AMBER: Problem While Installing Amber (Fri Jun 06 2008 - 04:34:17 CDT)
• rebeca
  • AMBER: watershell cero? (Mon Jun 30 2008 - 11:22:11 CDT)
  • AMBER: REMD Amber10 : error in reading namelist cntrl (Fri Jun 27 2008 - 04:01:26 CDT)
• Rilei Yu
  • £º Re: AMBER: problems form the pdb to the mol2 (Tue Jun 24 2008 - 11:14:15 CDT)
  • AMBER: Further request answers from Dr. Junmei Wang (Tue Jun 24 2008 - 10:59:05 CDT)
  • AMBER: problems form the pdb to the mol2 (Mon Jun 23 2008 - 20:01:33 CDT)
  • AMBER: problems form the pdb to the mol2 (Mon Jun 23 2008 - 20:01:33 CDT)
  • AMBER: problems form the pdb to the mol2 (Mon Jun 23 2008 - 20:01:33 CDT)
  • AMBER: problems form the pdb to the mol2 (Mon Jun 23 2008 - 20:01:33 CDT)
  • AMBER: problems form the pdb to the mol2 (Mon Jun 23 2008 - 20:01:33 CDT)
  • AMBER: problems form the pdb to the mol2 (Mon Jun 23 2008 - 20:01:33 CDT)
• Robert Duke
  • Re: AMBER: (no subject) (Mon Jun 30 2008 - 11:43:11 CDT)
  • Re: AMBER: wrapping a restart file (Mon Jun 30 2008 - 11:34:54 CDT)
  • Re: AMBER: Constrained group (Mon Jun 30 2008 - 11:03:15 CDT)
  • Re: AMBER: Amber 10 timing (Fri Jun 20 2008 - 16:29:00 CDT)
  • Re: AMBER: amber10 installation problem (Tue Jun 10 2008 - 17:02:54 CDT)
  • Re: AMBER: Vaccum Simulations in PMEMD !! (Thu Jun 05 2008 - 09:17:13 CDT)
• Ross Walker
  • RE: AMBER: missing torsion parameters (Mon Jun 30 2008 - 17:46:45 CDT)
  • RE: AMBER: error in reading namelist cntrl (Mon Jun 30 2008 - 15:26:38 CDT)
  • RE: AMBER: pmemd 10 output (Fri Jun 27 2008 - 11:40:48 CDT)
  • RE: AMBER: pmemd 10 output (Fri Jun 27 2008 - 11:16:44 CDT)
  • RE: AMBER: Dihedral Angle Parameters (Thu Jun 26 2008 - 17:18:52 CDT)
  • RE: AMBER: A problem of dihedral angle (Wed Jun 25 2008 - 10:48:56 CDT)
  • RE: AMBER: drawing repeated units (Tue Jun 24 2008 - 16:40:26 CDT)
  • RE: AMBER: Using AMBER forces (Tue Jun 24 2008 - 13:19:13 CDT)
  • RE: AMBER: Using AMBER forces (Tue Jun 24 2008 - 11:22:25 CDT)
  • RE: AMBER: tip3p water and shake (Wed Jun 18 2008 - 16:35:30 CDT)
  • RE: AMBER: program to calculate rmsd (Tue Jun 17 2008 - 03:26:53 CDT)
  • RE: AMBER: amber10 installation problem (Tue Jun 10 2008 - 17:04:51 CDT)
  • RE: AMBER: problem in starting sander (Sun Jun 08 2008 - 17:30:17 CDT)
  • RE: AMBER: 100 short MD runs within a single Sander script? (Sat Jun 07 2008 - 00:22:36 CDT)
  • RE: AMBER: Problems simulating a protein-ligand complex (Sat Jun 07 2008 - 00:15:32 CDT)
  • RE: AMBER: Problems simulating a protein-ligand complex (Fri Jun 06 2008 - 18:34:39 CDT)
  • RE: AMBER: Problems simulating a protein-ligand complex (Fri Jun 06 2008 - 17:55:37 CDT)
  • RE: AMBER: Problem While Installing Amber (Fri Jun 06 2008 - 10:30:26 CDT)
  • AMBER: RE: solvating RNA in 8M urea box (Thu Jun 05 2008 - 19:12:42 CDT)
  • RE: AMBER: amber installation on cluster (Wed Jun 04 2008 - 12:54:36 CDT)
  • RE: AMBER: drawing repeated units (Tue Jun 03 2008 - 18:49:54 CDT)
  • RE: AMBER: drawing repeated units (Tue Jun 03 2008 - 16:50:23 CDT)
  • RE: AMBER: Building ppc64 AMBER10 with xlf fortran 11.1 (Tue Jun 03 2008 - 15:43:43 CDT)
  • RE: AMBER: SANDER and PMEMD with openmpi. Failure 'make test.pmemd' (Mon Jun 02 2008 - 12:52:33 CDT)
• Sampath Koppole
  • AMBER: Vaccum Simulations in PMEMD !! (Thu Jun 05 2008 - 07:53:35 CDT)
• Samuel Genheden (a03samge)
  • AMBER: TI calculations in Amber10 (Wed Jun 25 2008 - 06:58:28 CDT)
  • SV: SV: AMBER: Correlation functions from iRED analysis (Thu Jun 19 2008 - 15:06:17 CDT)
  • SV: AMBER: Correlation functions from iRED analysis (Thu Jun 19 2008 - 10:53:29 CDT)
  • RE: AMBER: Correlation functions from iRED analysis (Thu Jun 19 2008 - 08:33:46 CDT)
  • RE: AMBER: Correlation functions from iRED analysis (Thu Jun 19 2008 - 08:10:51 CDT)
  • AMBER: Correlation functions from iRED analysis (Thu Jun 19 2008 - 05:22:53 CDT)
• sanket.deshmukh_at_ucd.ie
  • AMBER: Amber:unsubscribe amber (Thu Jun 26 2008 - 06:53:22 CDT)
  • AMBER: unsubscribe amber (Tue Jun 24 2008 - 06:07:42 CDT)
• Sasha Buzko
  • AMBER: Simulating complexes with magnesium atoms (Tue Jun 10 2008 - 16:32:13 CDT)
  • Re: AMBER: Problems simulating a protein-ligand complex (Mon Jun 09 2008 - 12:57:20 CDT)
  • Re: AMBER: Problems simulating a protein-ligand complex (Sat Jun 07 2008 - 00:37:53 CDT)
  • RE: AMBER: Problems simulating a protein-ligand complex (Fri Jun 06 2008 - 18:40:07 CDT)
  • RE: AMBER: Problems simulating a protein-ligand complex (Fri Jun 06 2008 - 18:13:19 CDT)
  • Re: AMBER: Problems simulating a protein-ligand complex (Fri Jun 06 2008 - 17:16:29 CDT)
  • AMBER: Problems simulating a protein-ligand complex (Fri Jun 06 2008 - 12:55:05 CDT)
• Sebastian Stolzenberg
  • AMBER: 100 short MD runs within a single Sander script? (Fri Jun 06 2008 - 23:55:37 CDT)
• Seth Lilavivat
  • Re: AMBER: ptraj - read in part of trajectory (Fri Jun 27 2008 - 12:01:03 CDT)
  • AMBER: ptraj - read in part of trajectory (Fri Jun 27 2008 - 11:41:51 CDT)
  • AMBER: Nmode - entropy calculation of receptor - should I apply restraint? (Thu Jun 05 2008 - 12:03:08 CDT)
• Shen, Lingling
  • AMBER: How to create average structure? (Wed Jun 18 2008 - 23:44:03 CDT)
• Siddharth Rastogi
  • AMBER: ligand complexed simulation (Fri Jun 20 2008 - 02:14:18 CDT)
  • AMBER: ligand complexed simulation (Tue Jun 17 2008 - 05:56:15 CDT)
• Steve Spronk
  • RE: AMBER: "Dumping RAW 2D RMS data is not yet implemented"? (Tue Jun 17 2008 - 10:54:04 CDT)
  • AMBER: "Dumping RAW 2D RMS data is not yet implemented"? (Tue Jun 17 2008 - 09:00:08 CDT)
  • RE: AMBER: 2D RMS plot (Thu Jun 12 2008 - 07:42:41 CDT)
  • AMBER: 2D RMS plot (Wed Jun 11 2008 - 14:18:32 CDT)
• Steven
  • Re: Re: AMBER: questions about gaff (Fri Jun 20 2008 - 09:11:08 CDT)
• Steven Winfield
  • Re: AMBER: Using AMBER forces (Tue Jun 24 2008 - 11:54:49 CDT)
  • AMBER: Using AMBER forces (Tue Jun 24 2008 - 10:44:41 CDT)
• Swarup Gupta
  • Re: AMBER: trajout input (Sun Jun 22 2008 - 22:01:31 CDT)
• sychen
  • AMBER: How to calculate RMSIP after PCA analysis by PTRAJ? (Wed Jun 04 2008 - 07:27:45 CDT)
• TAEJIN KIM
  • AMBER: Antechamber and topology file (Wed Jun 11 2008 - 18:05:14 CDT)
• Taufik Al-Sarraj
  • Re: AMBER: drawing repeated units (Tue Jun 24 2008 - 17:15:39 CDT)
  • Re: AMBER: QM/MM (Wed Jun 11 2008 - 11:28:34 CDT)
  • AMBER: QM/MM (Wed Jun 11 2008 - 11:09:24 CDT)
  • Re: AMBER: drawing repeated units (Wed Jun 04 2008 - 15:17:57 CDT)
  • Re: AMBER: drawing repeated units (Tue Jun 03 2008 - 18:58:25 CDT)
  • Re: AMBER: drawing repeated units (Tue Jun 03 2008 - 17:25:59 CDT)
  • AMBER: writing a script in amber (Mon Jun 02 2008 - 19:28:39 CDT)
• teresa.ierano_at_unina.it
  • AMBER: NMR refinement (Mon Jun 30 2008 - 05:37:48 CDT)
• Thomas Cheatham
  • Re: AMBER: rdparm help (Fri Jun 20 2008 - 09:35:36 CDT)
  • Re: AMBER: PTRAJ - Segmentation Fault (Wed Jun 11 2008 - 13:15:00 CDT)
• Thomas Cheatham III
  • Re: AMBER: Regarding force field ff02 and ion library (Mon Jun 30 2008 - 16:30:05 CDT)
  • Re: AMBER: trajout input (Fri Jun 20 2008 - 12:57:43 CDT)
• Thomas Leonard
  • Re: AMBER: trajout input (Fri Jun 20 2008 - 05:05:55 CDT)
  • AMBER: trajout input (Fri Jun 20 2008 - 04:23:55 CDT)
  • AMBER: How to solve - Missing BELE for MM in 1 in amber. (Mon Jun 16 2008 - 22:06:01 CDT)
  • AMBER: How to solve - Missing BELE for MM in 1 in amber. (Mon Jun 16 2008 - 22:05:59 CDT)
• Thomas Steinbrecher
  • Re: AMBER: TI calculations in Amber10 (Wed Jun 25 2008 - 11:15:47 CDT)
  • Re: AMBER: how to calculate the interaction energy (Tue Jun 10 2008 - 11:45:16 CDT)
• tinni sona
  • AMBER: Temperature controlling method in AMBER (Tue Jun 03 2008 - 04:43:11 CDT)
• Vahdati N.
  • RE: AMBER: nmode analysis (Mon Jun 30 2008 - 07:41:40 CDT)
  • RE: AMBER: Equilibration/Heating - Protein fixed -Problem (Wed Jun 11 2008 - 12:38:50 CDT)
• Vijay Manickam Achari
  • AMBER: output file AMBER9_MPI (Thu Jun 26 2008 - 14:06:19 CDT)
• Vlad Cojocaru
  • Re: AMBER: ptraj - read in part of trajectory (Fri Jun 27 2008 - 11:59:14 CDT)
  • Re: AMBER: pmemd 10 output (Fri Jun 27 2008 - 11:34:37 CDT)
  • Re: AMBER: pmemd 10 output (Fri Jun 27 2008 - 11:24:58 CDT)
  • AMBER: pmemd 10 output (Fri Jun 27 2008 - 10:48:35 CDT)
  • Re: AMBER: Compilation of amber8 patched with ramd (Wed Jun 25 2008 - 04:00:10 CDT)
  • Re: AMBER: Compilation of amber8 patched with ramd (Tue Jun 24 2008 - 10:07:03 CDT)
  • Re: AMBER: amber10/dat/leap/cmd/README need update (Mon Jun 23 2008 - 10:12:29 CDT)
  • AMBER: the SPCFW water model (Mon Jun 16 2008 - 11:19:34 CDT)
  • Re: AMBER: Ptraj / ambmask | Using distance-based masks to strip a trajectory (Fri Jun 06 2008 - 13:50:55 CDT)
  • Re: AMBER: Ptraj / ambmask | Using distance-based masks to strip a trajectory (Fri Jun 06 2008 - 04:59:54 CDT)
  • Re: AMBER: ptraj imaging issue (Thu Jun 05 2008 - 09:30:42 CDT)
  • Re: AMBER: ptraj imaging issue (Thu Jun 05 2008 - 03:48:43 CDT)
  • AMBER: ptraj imaging issue (Wed Jun 04 2008 - 14:07:44 CDT)
• Wang,Ying
  • RE: AMBER: tip3p water and shake (Wed Jun 18 2008 - 22:44:27 CDT)
  • RE: AMBER: tip3p water and shake (Wed Jun 18 2008 - 20:03:55 CDT)
  • AMBER: tip3p water and shake (Wed Jun 18 2008 - 15:07:13 CDT)
  • Re: AMBER: how to calculate the interaction energy (Tue Jun 10 2008 - 14:12:17 CDT)
  • AMBER: how to calculate the interaction energy (Tue Jun 10 2008 - 09:52:10 CDT)
• WanJ Ding
  • AMBER: about resp charges (Mon Jun 16 2008 - 14:44:55 CDT)
• wanjian ding
  • Re: AMBER: about resp charges (Wed Jun 18 2008 - 15:43:35 CDT)
• Wei Huang
  • AMBER: MM-PBSA calculation problem (Mon Jun 30 2008 - 11:41:16 CDT)
• xiaonan zhang
  • AMBER: How to confirm atom types of small molecule perceived by antechamber (Mon Jun 23 2008 - 03:39:30 CDT)
  • Re: AMBER: Help--Great distortion of N terminal nitrogen at the very beginning of heating (Tue Jun 10 2008 - 09:23:15 CDT)
  • AMBER: Help--Great distortion of N terminal nitrogen at the very beginning of heating (Tue Jun 10 2008 - 07:24:02 CDT)
• Xioling Chuang
  • RE: AMBER: problem of install amber9 (Thu Jun 05 2008 - 04:09:27 CDT)
  • AMBER: problem of install amber9 (Thu Jun 05 2008 - 03:37:27 CDT)
• Yang, Lee-Wei
  • RE: AMBER: NMODE units and hrmax value for Langevine modes (Wed Jun 04 2008 - 22:55:45 CDT)
  • AMBER: NMODE units and hrmax value for Langevine modes (Wed Jun 04 2008 - 11:27:00 CDT)
• yavuzturkm_at_prc.boun.edu.tr
  • AMBER: corrupted restart file (Tue Jun 03 2008 - 04:18:25 CDT)
• Yicun Ni
  • AMBER: A problem of installing Amber10 (Thu Jun 05 2008 - 10:55:53 CDT)
• yzhao
  • AMBER: questions about gaff (Wed Jun 18 2008 - 21:01:45 CDT)
• Å·ÑôµÂ·½
  • AMBER: A-prime RNA input file (Tue Jun 24 2008 - 06:16:27 CDT)
  • AMBER: SIZE.h problems (Sat Jun 21 2008 - 07:33:49 CDT)

Last message date: Wed Dec 31 2008 - 22:47:27 CST
Archived on: Thu Jan 08 2009 - 16:01:48 CST