Amber Archive Oct 2003: by author

aini.UMDNJ.EDU
- Re: AMBER: problem in tleap (Fri Oct 24 2003 - 12:23:33 PDT)
- Re: AMBER: carnal iteration deviation from original crd file (Fri Oct 24 2003 - 06:11:30 PDT)
- AMBER: problem in tleap (Fri Oct 17 2003 - 08:41:27 PDT)
- AMBER: constant pressure in GB (Wed Oct 01 2003 - 18:19:12 PDT)
Alexey Onufriev
- Re: AMBER: surface code in Amber (Fri Oct 10 2003 - 16:25:45 PDT)
Amber Administration
- Re: AMBER: aminoacid mutation (Tue Oct 28 2003 - 14:34:47 PST)
- Re: AMBER: Implicit precision in sander vs architecture (Mon Oct 20 2003 - 16:18:02 PDT)
- AMBER: ibelly (Fri Oct 03 2003 - 11:55:02 PDT)
Andreas Svrcek-Seiler
- Re: AMBER: Restraints to maintain base pair planarity (Wed Oct 15 2003 - 09:51:12 PDT)
- Re: AMBER: monte carlo (Fri Oct 10 2003 - 07:19:41 PDT)
Asim Okur
- RE: AMBER: Not getting restrt file on running sanders (Thu Oct 09 2003 - 14:53:37 PDT)
Bayly, Christopher
- RE: AMBER: amber 7 for industrial application (Wed Oct 29 2003 - 08:45:27 PST)
Bill Ross
- RE: AMBER: Radius of Gyration and RMSD (Tue Oct 28 2003 - 09:21:10 PST)
- RE: AMBER: aminoacid mutation (Mon Oct 27 2003 - 21:09:23 PST)
- RE: AMBER: carnal iteration deviation from original crd file (Fri Oct 24 2003 - 08:35:53 PDT)
- Re: AMBER: carnal iteration deviation from original crd file (Fri Oct 24 2003 - 08:31:17 PDT)
- Re: AMBER: SHAKE question (Thu Oct 23 2003 - 15:24:20 PDT)
- Re: AMBER: frozen x unfrozen (Tue Oct 21 2003 - 12:52:55 PDT)
- RE: AMBER: memory SC45 (Mon Oct 20 2003 - 21:09:01 PDT)
- Re: AMBER: memory SC45 (Mon Oct 20 2003 - 20:19:37 PDT)
- Re: AMBER: Implicit precision in sander vs architecture (Fri Oct 17 2003 - 11:10:46 PDT)
- Re: AMBER: a problem with xleap (Thu Oct 16 2003 - 11:22:42 PDT)
- RE: AMBER: tru64 alpha (Wed Oct 15 2003 - 07:38:45 PDT)
- Re: AMBER: sander: vlimit problem (Tue Oct 14 2003 - 15:23:59 PDT)
- RE: AMBER: infinitely long DNA & moil-view? (Tue Oct 14 2003 - 13:36:56 PDT)
- Re: AMBER: Amber charge problem (Mon Oct 13 2003 - 18:21:00 PDT)
- Re: AMBER: antechamber (Mon Oct 13 2003 - 17:38:24 PDT)
- Re: AMBER: problem with pdb files (Mon Oct 13 2003 - 10:12:41 PDT)
- Re: AMBER: Freezing the residues (Fri Oct 10 2003 - 12:43:38 PDT)
- Re: AMBER: regarding trajectory input and output with ptraj or Carnal (Thu Oct 02 2003 - 09:28:41 PDT)
- Re: AMBER: addions/xleap question (Wed Oct 01 2003 - 14:10:44 PDT)
- Re: AMBER: improper (Wed Oct 01 2003 - 10:38:08 PDT)
- Re: AMBER: improper (Wed Oct 01 2003 - 10:21:03 PDT)
bishop
- Re: AMBER: infinitely long DNA & moil-view? (Tue Oct 14 2003 - 12:24:52 PDT)
Carlos Simmerling
- Re: AMBER: RMSD and Radius of Gyration (Sat Oct 25 2003 - 16:28:28 PDT)
- Re: AMBER: Simulation of small protein (Thu Oct 23 2003 - 15:59:58 PDT)
- Re: AMBER: Simulation of small protein (Thu Oct 23 2003 - 09:13:09 PDT)
- Re: AMBER: stable protein (Mon Oct 20 2003 - 10:48:03 PDT)
- Re: AMBER: infinitely long DNA & moil-view? (Tue Oct 14 2003 - 12:18:30 PDT)
Chris Moth
- AMBER: mddisplay (Thu Oct 30 2003 - 10:29:12 PST)
- AMBER: mddisplay (Fri Oct 24 2003 - 14:22:18 PDT)
- AMBER: Simulation of small protein (MD Display tips) (Fri Oct 24 2003 - 11:56:38 PDT)
Dalmaris, John
- RE: AMBER: carnal iteration deviation from original crd file (Fri Oct 24 2003 - 05:29:28 PDT)
- AMBER: carnal iteration deviation from original crd file (Fri Oct 24 2003 - 04:11:36 PDT)
- AMBER: input/output error (Fri Oct 10 2003 - 09:32:15 PDT)
darden
- Re: AMBER: question about ewald (Thu Oct 09 2003 - 13:38:10 PDT)
David A. Case
- Re: AMBER: minimize a covalently bounded protein-ligand complex (Thu Oct 30 2003 - 15:50:11 PST)
- Re: AMBER: (Thu Oct 30 2003 - 09:23:12 PST)
- Re: AMBER: surface code in Amber (Tue Oct 28 2003 - 16:15:33 PST)
- Re: AMBER: amber 7 for industrial application (Mon Oct 27 2003 - 22:21:35 PST)
- Re: AMBER: surface code in Amber (Sun Oct 26 2003 - 22:45:18 PST)
- Re: AMBER: problem in tleap (Sat Oct 25 2003 - 20:56:29 PDT)
- Re: AMBER: Pressure in NVT ensemble (Sat Oct 25 2003 - 20:16:37 PDT)
- Re: AMBER: antechamber and bond type (Sat Oct 25 2003 - 19:49:05 PDT)
- Re: AMBER: torsional restraints for groups of atoms (Wed Oct 22 2003 - 17:00:16 PDT)
- Re: AMBER: frozen x unfrozen (Wed Oct 22 2003 - 16:58:41 PDT)
- Re: AMBER: Implicit precision in sander vs architecture (Mon Oct 20 2003 - 17:13:15 PDT)
- Re: AMBER: more questions about igb (Mon Oct 20 2003 - 16:47:35 PDT)
- Re: AMBER: ibelly in AMBER 6 (Sat Oct 18 2003 - 09:48:16 PDT)
- Re: AMBER: ibelly in AMBER 6 (Fri Oct 17 2003 - 17:51:29 PDT)
- Re: AMBER: a question (Fri Oct 17 2003 - 15:36:08 PDT)
- Re: AMBER: Implicit precision in sander vs architecture (Fri Oct 17 2003 - 09:05:15 PDT)
- Re: AMBER: problem in tleap (Fri Oct 17 2003 - 08:59:27 PDT)
- Re: AMBER: a problem with xleap (Wed Oct 15 2003 - 07:31:06 PDT)
- Re: AMBER: tru64 alpha (Wed Oct 15 2003 - 07:25:03 PDT)
- Re: AMBER: Restraints to maintain base pair planarity (Wed Oct 15 2003 - 07:18:10 PDT)
- Re: AMBER: sander: vlimit problem (Tue Oct 14 2003 - 15:15:02 PDT)
- Re: AMBER: MeCNBOX & EWALD bomb (Tue Oct 14 2003 - 15:12:42 PDT)
- Re: AMBER: nmanal projection (Tue Oct 14 2003 - 15:11:29 PDT)
David Case
- Re: AMBER: SHAKE for TIP4P! (Fri Oct 03 2003 - 00:43:43 PDT)
- Re: AMBER: regarding trajectory input and output with ptraj or Carnal (Thu Oct 02 2003 - 05:54:11 PDT)
- Re: AMBER: constant pressure in GB (Thu Oct 02 2003 - 04:53:32 PDT)
- Re: AMBER: density equilibrium & harmonic restrain (Thu Oct 02 2003 - 04:39:05 PDT)
- Re: AMBER: AMBER quasih question(s) (Thu Oct 02 2003 - 04:34:18 PDT)
David E. Konerding
- Re: AMBER: surface code in Amber (Tue Oct 28 2003 - 08:38:56 PST)
- Re: AMBER: surface code in Amber (Mon Oct 27 2003 - 07:32:41 PST)
- Re: AMBER: Implicit precision in sander vs architecture (Fri Oct 17 2003 - 10:05:14 PDT)
David Smith
- AMBER: frozen x unfrozen and the gibbs tragedy (Thu Oct 23 2003 - 08:56:00 PDT)
Do Anh Tuan
- AMBER: MD simulation: enzyme and its substrate (Wed Oct 29 2003 - 11:52:24 PST)
- AMBER: MD simulation: enzyme and its substrate (Sat Oct 25 2003 - 21:51:20 PDT)
- AMBER: stable protein (Mon Oct 20 2003 - 10:30:45 PDT)
Dr. Yong Duan
- Re[2]: AMBER: surface code in Amber (Tue Oct 28 2003 - 06:46:32 PST)
Endres, Robert G.
- AMBER: reduce box and delete excess solvent (Wed Oct 29 2003 - 11:31:52 PST)
- RE: AMBER: Radius of Gyration and RMSD (Tue Oct 28 2003 - 06:36:27 PST)
- RE: AMBER: aminoacid mutation (Mon Oct 27 2003 - 19:02:15 PST)
- AMBER: RMSD and Radius of Gyration (Sat Oct 25 2003 - 15:24:07 PDT)
- RE: AMBER: Simulation of small protein (Thu Oct 23 2003 - 18:28:21 PDT)
- RE: AMBER: Simulation of small protein (Thu Oct 23 2003 - 10:27:45 PDT)
- AMBER: Simulation of small protein (Thu Oct 23 2003 - 08:52:52 PDT)
- AMBER: infinitely long DNA & moil-view? (Tue Oct 14 2003 - 11:57:43 PDT)
Eric Hu
- AMBER: minimize a covalently bounded protein-ligand complex (Thu Oct 30 2003 - 15:36:53 PST)
franck
- AMBER: Compiling AMBER (Thu Oct 09 2003 - 07:16:17 PDT)
Frederico.Miranda.ibmb.uib.no
- AMBER: carnal (Sun Oct 19 2003 - 12:48:06 PDT)
FyD
- Re: AMBER: addions/xleap question (Wed Oct 01 2003 - 14:24:38 PDT)
- AMBER: addions/xleap question (Wed Oct 01 2003 - 13:39:47 PDT)
Giulio Rastelli
- AMBER: mgbjsb Radii in GBSA (Tue Oct 07 2003 - 07:42:34 PDT)
GUILLERMINA L ESTIU
- AMBER: output frequency (Mon Oct 06 2003 - 06:43:26 PDT)
Herbert Georg
- Re: AMBER: prmtop file format (Fri Oct 24 2003 - 11:51:50 PDT)
- AMBER: prmtop file format (Fri Oct 24 2003 - 07:37:42 PDT)
- AMBER: SHAKE question (Thu Oct 23 2003 - 15:17:45 PDT)
- Re: AMBER: frozen x unfrozen (Thu Oct 23 2003 - 07:25:20 PDT)
- AMBER: antechamber and bond type (Wed Oct 22 2003 - 05:56:15 PDT)
- AMBER: frozen x unfrozen (Tue Oct 21 2003 - 12:04:44 PDT)
Hyonseok Hwang
- AMBER: charmm force field in amber (Thu Oct 16 2003 - 11:05:36 PDT)
Ioana Cozmuta
- Re: AMBER: What does this error message mean? (Fri Oct 31 2003 - 07:46:46 PST)
- RE: AMBER: aminoacid mutation (Tue Oct 28 2003 - 12:25:53 PST)
- AMBER: aminoacid mutation (Mon Oct 27 2003 - 16:46:13 PST)
- AMBER: force field for hybrid systems (Sun Oct 12 2003 - 10:58:41 PDT)
Itziar Maestre Asenjo
- AMBER: mm_pbsa with amber7 (Tue Oct 14 2003 - 09:22:18 PDT)
- AMBER: Re:mm_pbsa problem (Mon Oct 13 2003 - 02:18:38 PDT)
Jagannadh B
- AMBER: Radius of Gyration and RMSD (Tue Oct 28 2003 - 01:36:55 PST)
Jean-François Taly
- AMBER: STREAM problems : segmentation fault with CARNAL (Wed Oct 15 2003 - 03:03:35 PDT)
Jiri Sponer
- Re: AMBER: Re:atomic charges and internal H-bond (Tue Oct 07 2003 - 15:08:09 PDT)
- Re: AMBER: Re:atomic charges and internal H-bond (Tue Oct 07 2003 - 13:48:00 PDT)
- Re: AMBER: Atomic charges and internal H-bond (Tue Oct 07 2003 - 07:12:27 PDT)
Jiten
- Re: AMBER: MeCNBOX & EWALD bomb (Fri Oct 10 2003 - 20:29:04 PDT)
Joey Harriman
- AMBER: Implicit MD simulations in Amber7 (Mon Oct 27 2003 - 10:53:01 PST)
John
- RE: AMBER: carnal iteration deviation from original crd file (Mon Oct 27 2003 - 17:05:28 PST)
John Lee
- Re[2]: AMBER: surface code in Amber (Mon Oct 27 2003 - 22:53:49 PST)
- Re[2]: AMBER: surface code in Amber (Sun Oct 26 2003 - 18:06:56 PST)
- AMBER: surface code in Amber (Sun Oct 05 2003 - 14:13:43 PDT)
Jonathan Neidigh
- Re: AMBER: Installation Problem, xleap can't load pdb files (Wed Oct 29 2003 - 07:54:18 PST)
- AMBER: Installation Problem, xleap can't load pdb files (Tue Oct 28 2003 - 15:19:59 PST)
Jory L. Zmuda
- AMBER: correlated motion (Thu Oct 23 2003 - 11:17:01 PDT)
Jory Zmuda
- AMBER: mm_pbsa example (Thu Oct 09 2003 - 13:35:21 PDT)
Jose Gallego
- RE: AMBER: amber 7 for industrial application (Tue Oct 28 2003 - 06:45:19 PST)
- AMBER: amber 7 for industrial application (Mon Oct 27 2003 - 05:18:16 PST)
Jose Ramon Blas
- Re: AMBER: What does this error message mean? (Fri Oct 31 2003 - 16:29:19 PST)
Junmei Wang
- RE: AMBER: amber 7 for industrial application (Tue Oct 28 2003 - 07:58:43 PST)
- Re: AMBER: mopac (Wed Oct 08 2003 - 10:15:18 PDT)
- Re: AMBER: Compiling antechamber on amber 8 (Fri Oct 03 2003 - 07:50:01 PDT)
kbyun.wesleyan.edu
- Re: AMBER: mm_pbsa crg file (Tue Oct 14 2003 - 07:09:35 PDT)
- AMBER: mm_pbsa rna/dna charges (Mon Oct 13 2003 - 13:45:37 PDT)
- AMBER: mm_pbsa crg file (Mon Oct 13 2003 - 10:24:15 PDT)
Kristina Furse
- RE: AMBER: mddisplay (Tue Oct 28 2003 - 16:48:30 PST)
lil.umbi.umd.edu
- AMBER: antechamber (Mon Oct 13 2003 - 16:30:25 PDT)
- AMBER: mopac (Wed Oct 08 2003 - 09:19:18 PDT)
Lishan Yao
- AMBER: question about ewald (Thu Oct 09 2003 - 09:03:44 PDT)
Mahadevan Seetharaman
- AMBER: Restraints to maintain base pair planarity (Tue Oct 14 2003 - 20:10:29 PDT)
Mark K. Dean
- AMBER: Addles (Wed Oct 08 2003 - 07:46:41 PDT)
Martin Lepsik
- Re: AMBER: Reverse TI run (Tue Oct 14 2003 - 06:02:22 PDT)
- AMBER: Reverse TI run (Mon Oct 13 2003 - 09:55:03 PDT)
- Re: AMBER: Atomic charges and internal H-bond (Wed Oct 08 2003 - 01:44:21 PDT)
- AMBER: Atomic charges and internal H-bond (Tue Oct 07 2003 - 04:41:19 PDT)
- Re: AMBER: calculation of LJ 12-6 from .dat file (fwd)-CORRECTION!!! (Fri Oct 03 2003 - 02:56:07 PDT)
- Re: AMBER: calculation of LJ 12-6 from .dat file (fwd) (Fri Oct 03 2003 - 02:53:50 PDT)
Mengjuei Hsieh
- Re: AMBER: Compiling antechamber on amber 8 (Fri Oct 03 2003 - 17:42:32 PDT)
- AMBER: Compiling antechamber on amber 8 (Fri Oct 03 2003 - 03:10:35 PDT)
Michael Crowley
- Re: AMBER: Reverse TI run (Wed Oct 15 2003 - 02:55:39 PDT)
Michal Otyepka
- AMBER: calculation of LJ 12-6 from .dat file (fwd) (Thu Oct 02 2003 - 07:53:27 PDT)
Mithun Mitra
- AMBER: problem with pdb files (Sun Oct 12 2003 - 13:12:45 PDT)
Mu Yuguang (Dr)
- AMBER: SC45 (Mon Oct 27 2003 - 17:12:29 PST)
- RE: AMBER: memory SC45 (Tue Oct 21 2003 - 18:19:45 PDT)
- RE: AMBER: memory SC45 (Mon Oct 20 2003 - 20:46:50 PDT)
- AMBER: memory SC45 (Mon Oct 20 2003 - 19:39:29 PDT)
- RE: AMBER: tru64 alpha (Thu Oct 16 2003 - 19:08:14 PDT)
- RE: AMBER: tru64 alpha (Thu Oct 16 2003 - 18:52:41 PDT)
- RE: AMBER: tru64 alpha (Thu Oct 16 2003 - 17:40:56 PDT)
- RE: AMBER: tru64 alpha (Wed Oct 15 2003 - 19:59:29 PDT)
- RE: AMBER: tru64 alpha (Wed Oct 15 2003 - 00:07:45 PDT)
- AMBER: tru64 alpha (Tue Oct 14 2003 - 18:19:06 PDT)
myang
- RE: AMBER: one more question (Sat Oct 18 2003 - 11:51:33 PDT)
- RE: AMBER: charmm force field in amber (Thu Oct 16 2003 - 13:57:47 PDT)
- RE: AMBER: H-bond analysis (Fri Oct 03 2003 - 11:08:49 PDT)
nie beining
- Re: AMBER: What does this error message mean? (Fri Oct 31 2003 - 09:41:27 PST)
- AMBER: What does this error message mean? (Fri Oct 31 2003 - 07:34:40 PST)
northrop.chem.ucla.edu
- AMBER: MeCNBOX & EWALD bomb (Fri Oct 10 2003 - 17:31:46 PDT)
Osmar Norberto de Souza
- Re: AMBER: aminoacid mutation (Tue Oct 28 2003 - 12:38:00 PST)
Peter Gannett
- Re: AMBER: how to measure the minor groove widths of a DNA? (Tue Oct 28 2003 - 11:43:22 PST)
Pingna Xu
- AMBER: more questions about igb (Sun Oct 19 2003 - 20:54:49 PDT)
- AMBER: one more question (Sat Oct 18 2003 - 11:01:32 PDT)
- AMBER: a question (Fri Oct 17 2003 - 14:01:12 PDT)
Piotr Cieplak
- Re: AMBER: Re:atomic charges and internal H-bond (Tue Oct 07 2003 - 14:36:10 PDT)
- Re: AMBER: Atomic charges and internal H-bond (Tue Oct 07 2003 - 10:41:49 PDT)
Pradipta Bandyopadhyay
- Re: AMBER: MD simulation: enzyme and its substrate!! (Wed Oct 29 2003 - 12:26:17 PST)
- AMBER: Re:atomic charges and internal H-bond (Tue Oct 07 2003 - 11:24:18 PDT)
- AMBER: SHAKE for TIP4P! (Thu Oct 02 2003 - 16:25:49 PDT)
Qiang Lu
- AMBER: JAC on NCSA titan (Itanium 2 833MHZ) (Wed Oct 29 2003 - 14:09:56 PST)
- AMBER: nmanal projection (Fri Oct 10 2003 - 15:22:48 PDT)
Qing Zhang
- AMBER: ibelly in AMBER 6 (Fri Oct 17 2003 - 15:32:21 PDT)
RAJA SWAMINATHAN
- AMBER: H-bond analysis (Fri Oct 03 2003 - 09:11:17 PDT)
Rhonda Torres
- RE: AMBER: what is the unit for the energy calculated from MM_PBSA? (Mon Oct 20 2003 - 18:19:09 PDT)
- Re: AMBER: mm_pbsa example (Thu Oct 09 2003 - 14:09:33 PDT)
- Re: AMBER: addions/xleap question (Wed Oct 01 2003 - 14:10:00 PDT)
Richard Smith
- AMBER: Removal of Rotational and Translational Motion in AMBER6 (Mon Oct 27 2003 - 12:51:59 PST)
- RE: AMBER: running sander_classic on multiple processors (Wed Oct 15 2003 - 12:09:57 PDT)
- AMBER: running sander_classic on multiple processors (Tue Oct 14 2003 - 06:48:23 PDT)
Robert Duke
- AMBER: PMEMD 3.1 Release - High Scalability Update to PMEMD (Fri Oct 31 2003 - 07:40:37 PST)
- Re: AMBER: memory SC45 (Tue Oct 21 2003 - 19:12:31 PDT)
- Re: AMBER: memory SC45 (Tue Oct 21 2003 - 06:20:59 PDT)
- Re: AMBER: memory SC45 (Tue Oct 21 2003 - 05:55:22 PDT)
- Re: AMBER: memory SC45 (Mon Oct 20 2003 - 20:17:25 PDT)
- Re: AMBER: ECC vs non-ECC (non-amber issue) (Mon Oct 20 2003 - 19:40:24 PDT)
- Re: AMBER: Implicit precision in sander vs architecture (Mon Oct 20 2003 - 18:06:22 PDT)
- Re: AMBER: Implicit precision in sander vs architecture (Mon Oct 20 2003 - 06:01:47 PDT)
- Re: AMBER: tru64 alpha (Thu Oct 16 2003 - 19:50:08 PDT)
- Re: AMBER: tru64 alpha (Thu Oct 16 2003 - 18:27:27 PDT)
- Re: AMBER: tru64 alpha (Thu Oct 16 2003 - 18:18:41 PDT)
- Re: AMBER: tru64 alpha (Thu Oct 16 2003 - 07:17:00 PDT)
- Re: AMBER: tru64 alpha (Wed Oct 15 2003 - 20:41:57 PDT)
- Re: AMBER: tru64 alpha (Wed Oct 15 2003 - 19:51:20 PDT)
- Re: AMBER: Compiling AMBER, ie, number of atoms limit (Thu Oct 09 2003 - 15:18:27 PDT)
- Re: Re: AMBER: nstlim (Wed Oct 01 2003 - 09:32:48 PDT)
Samy Name_removed_after_user_request
- AMBER: mddisplay (Tue Oct 28 2003 - 16:21:04 PST)
- AMBER: mddisplay (Thu Oct 23 2003 - 13:57:37 PDT)
- AMBER: torsional restraints for groups of atoms (Sun Oct 19 2003 - 10:42:59 PDT)
Sandro Fornili
- AMBER: solute images (Mon Oct 27 2003 - 07:28:34 PST)
Scott Brozell
- Re: AMBER: solute images (Mon Oct 27 2003 - 12:39:21 PST)
- Re: AMBER: Implicit MD simulations in Amber7 (Mon Oct 27 2003 - 12:20:14 PST)
- Re: AMBER: problem in tleap (Fri Oct 24 2003 - 19:05:33 PDT)
- Re: AMBER: a problem with xleap (Thu Oct 16 2003 - 11:19:29 PDT)
- Re: AMBER: input/output error (Fri Oct 10 2003 - 15:10:08 PDT)
- Re: AMBER: Freezing the residues (Fri Oct 10 2003 - 12:25:04 PDT)
- RE: AMBER: Not getting restrt file on running sanders (Thu Oct 09 2003 - 16:25:11 PDT)
- Re: AMBER: Compiling AMBER, ie, number of atoms limit (Thu Oct 09 2003 - 14:30:02 PDT)
- Re: AMBER: question about ewald (Thu Oct 09 2003 - 11:11:21 PDT)
Shiang-Tai Lin
- Re: AMBER: Pressure in NVT ensemble (Mon Oct 27 2003 - 09:48:48 PST)
- AMBER: Pressure in NVT ensemble (Fri Oct 24 2003 - 10:44:21 PDT)
Sivakolundu, Sivashankar
- RE: AMBER: aminoacid mutation (Tue Oct 28 2003 - 07:43:38 PST)
Teletchéa Stéphane
- Re: AMBER: Implicit precision in sander vs architecture (Tue Oct 21 2003 - 01:42:54 PDT)
- Re: AMBER: Implicit precision in sander vs architecture (Mon Oct 20 2003 - 01:45:04 PDT)
- Re: AMBER: Implicit precision in sander vs architecture (Fri Oct 17 2003 - 09:15:13 PDT)
- AMBER: Implicit precision in sander vs architecture (Fri Oct 17 2003 - 08:42:41 PDT)
Therese Malliavin
- AMBER: comparing versions 6.0 and 7.0 of AMBER (Mon Oct 27 2003 - 01:30:21 PST)
Thomas E. Cheatham, III
- Re: AMBER: how to measure the minor groove widths of a DNA? (Wed Oct 29 2003 - 09:31:09 PST)
- Re: AMBER: ibelly problem (Wed Oct 29 2003 - 09:23:12 PST)
uddhavesh bhaskar sonavane
- Re: Re: AMBER: nstlim (Wed Oct 01 2003 - 08:32:27 PDT)
Vikas Varshney
- AMBER: ibelly problem (Tue Oct 28 2003 - 11:34:00 PST)
- AMBER: 'vlimit exceeded' (Tue Oct 14 2003 - 12:36:19 PDT)
- AMBER: sander: vlimit problem (Sun Oct 12 2003 - 19:19:41 PDT)
- AMBER: Freezing the residues (Thu Oct 09 2003 - 20:37:11 PDT)
- AMBER: Not getting restrt file on running sanders (Thu Oct 09 2003 - 14:40:15 PDT)
- AMBER: Resp Problem (Tue Oct 07 2003 - 08:18:39 PDT)
Vlad Cojocaru
- Re: AMBER: carnal iteration deviation from original crd file (Fri Oct 24 2003 - 05:42:24 PDT)
- Re: AMBER: carnal iteration deviation from original crd file (Fri Oct 24 2003 - 04:32:17 PDT)
- Re: AMBER: problem with pdb files (Mon Oct 13 2003 - 01:35:04 PDT)
- AMBER: monte carlo (Fri Oct 10 2003 - 06:40:11 PDT)
- AMBER: regarding trajectory input and output with ptraj or Carnal (Thu Oct 02 2003 - 05:37:19 PDT)
volodya
- Re: AMBER: Protein Rotation (Sun Oct 12 2003 - 06:40:07 PDT)
- AMBER: RMSd per residue (Tue Oct 07 2003 - 05:58:20 PDT)
- Re: AMBER: large file for carnal (Tue Oct 07 2003 - 05:52:04 PDT)
- Re: AMBER: large file for carnal (Sun Oct 05 2003 - 04:23:44 PDT)
- AMBER: large file for carnal (Sat Oct 04 2003 - 10:12:37 PDT)
wangf2
- AMBER: (Thu Oct 30 2003 - 08:00:15 PST)
Wayne Dawson
- AMBER: aminoacid mutation (Mon Oct 27 2003 - 21:47:25 PST)
xiaolin cheng
- Re: AMBER: torsional restraints for groups of atoms (Wed Oct 22 2003 - 17:30:33 PDT)
- Re: AMBER: Addles (Wed Oct 08 2003 - 08:56:18 PDT)
ya ya
- Re: AMBER: improper (Wed Oct 01 2003 - 07:59:16 PDT)
Ye Mei
- AMBER: how to mend the peptide with missing residues? (Tue Oct 21 2003 - 08:07:14 PDT)
- Re: Re: AMBER: a problem with xleap (Wed Oct 15 2003 - 18:34:51 PDT)
- AMBER: a problem with xleap (Wed Oct 15 2003 - 01:03:36 PDT)
Yong Duan
- RE: AMBER: surface code in Amber (Tue Oct 28 2003 - 09:01:33 PST)
- RE: AMBER: aminoacid mutation (Mon Oct 27 2003 - 18:09:02 PST)
- RE: AMBER: RMSD and Radius of Gyration (Sat Oct 25 2003 - 18:40:07 PDT)
- RE: AMBER: prmtop file format (Fri Oct 24 2003 - 12:19:16 PDT)
- RE: AMBER: prmtop file format (Fri Oct 24 2003 - 08:05:35 PDT)
- RE: AMBER: Simulation of small protein (Thu Oct 23 2003 - 18:51:12 PDT)
- RE: AMBER: Simulation of small protein (Thu Oct 23 2003 - 18:11:02 PDT)
- RE: AMBER: how to mend the peptide with missing residues? (Tue Oct 21 2003 - 08:15:53 PDT)
- AMBER: ECC vs non-ECC (non-amber issue) (Mon Oct 20 2003 - 19:04:37 PDT)
- RE: AMBER: carnal (Sun Oct 19 2003 - 13:00:11 PDT)
- RE: AMBER: Implicit precision in sander vs architecture (Fri Oct 17 2003 - 09:30:31 PDT)
- RE: AMBER: tru64 alpha (Fri Oct 17 2003 - 04:53:39 PDT)
- RE: AMBER: tru64 alpha (Thu Oct 16 2003 - 19:00:04 PDT)
- RE: AMBER: infinitely long DNA & moil-view? (Tue Oct 14 2003 - 13:15:29 PDT)
- RE: AMBER: output frequency (Mon Oct 06 2003 - 07:08:21 PDT)
- RE: AMBER: constant pressure in GB (Wed Oct 01 2003 - 18:45:04 PDT)
Yong-Liang Zhu
- AMBER: Water as part of protein in mm_pbsa calculation (Sat Oct 11 2003 - 20:20:12 PDT)
- AMBER: Added water and mm_pbsa (Wed Oct 01 2003 - 10:29:37 PDT)
Yuhui Cheng
- AMBER: Amber charge problem (Mon Oct 13 2003 - 17:25:58 PDT)
zhaoxc.puccini.che.pitt.edu
- AMBER: how to measure the minor groove widths of a DNA? (Tue Oct 28 2003 - 09:16:06 PST)
- AMBER: what is the unit for the energy calculated from MM_PBSA? (Mon Oct 20 2003 - 18:08:51 PDT)
- AMBER: is there a good program to quantitatively analyze hydration effect? (Fri Oct 10 2003 - 05:36:08 PDT)
- Re: AMBER: Freezing the residues (Fri Oct 10 2003 - 05:30:38 PDT)

Amber Archive Oct 2003 by author