Amber Archive Dec 2004: by author

Adrian E. Roitberg
- AMBER: TFE parameters (Tue Dec 21 2004 - 12:34:29 PST)
Alberto p
- AMBER: NSCM (Wed Dec 29 2004 - 04:07:48 PST)
Alena Shmygelska
- Re: AMBER: increasing the maximum value of NPHB parameter (Wed Dec 01 2004 - 23:42:44 PST)
Andreas Svrcek-Seiler
- Re: AMBER: Kinetics energy (Mon Dec 20 2004 - 02:11:10 PST)
- Re: AMBER: nanotube parameters (Mon Dec 20 2004 - 02:02:56 PST)
- Re: AMBER: ptraj hbond memory allocation on opteron (Mon Dec 13 2004 - 08:07:25 PST)
- Re: AMBER: Compiling Antechamber/Amber8 with ia64_ifort (Mon Dec 06 2004 - 00:56:34 PST)
Andrew Box
- AMBER: NMR constraint problem (Tue Dec 07 2004 - 19:06:02 PST)
- AMBER: (no subject) (Mon Dec 06 2004 - 19:32:52 PST)
Annette Höglund
- AMBER: Why the charge is not an integer? (Mon Dec 13 2004 - 23:39:11 PST)
anshul.imtech.res.in
- Re: AMBER: amber7 on digital unix (Thu Dec 23 2004 - 19:15:47 PST)
- AMBER: amber7 on digital unix (Thu Dec 23 2004 - 14:23:15 PST)
Asim Okur
- Re: AMBER: imin=5 in sander (Tue Dec 07 2004 - 12:47:38 PST)
- Re: AMBER: imin=5 in sander (Tue Dec 07 2004 - 12:44:52 PST)
Ben Cossins
- Re: AMBER: pbsa error in mm_pbsa amber 8 (Wed Dec 15 2004 - 04:04:50 PST)
- Re: AMBER: pbsa error in mm_pbsa amber 8 (Tue Dec 14 2004 - 05:41:08 PST)
- Re: AMBER: pbsa error in mm_pbsa amber 8 (Fri Dec 10 2004 - 05:05:33 PST)
- Re: AMBER: pbsa error in mm_pbsa amber 8 (Thu Dec 09 2004 - 07:19:20 PST)
- AMBER: pbsa error in mm_pbsa amber 8 (Thu Dec 09 2004 - 06:58:19 PST)
Bill Ross
- Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules (Tue Dec 21 2004 - 14:57:13 PST)
- Re: AMBER: nanotube parameters (Fri Dec 17 2004 - 13:52:13 PST)
- Re: AMBER: Dielectric Constant (Sat Dec 04 2004 - 12:22:33 PST)
Bimo Ario Tejo
- AMBER: input conversion error [Amber8] (Tue Dec 28 2004 - 21:15:58 PST)
bybaker.itsa.ucsf.edu
- AMBER: cut-off & MD (Mon Dec 06 2004 - 12:49:04 PST)
Cai, Yufeng
- AMBER: Sander TI (Mon Dec 20 2004 - 10:11:29 PST)
cailliez
- AMBER: constraints on atoms (Mon Dec 20 2004 - 03:06:19 PST)
- Re: AMBER: question about mmpbsa (Wed Dec 08 2004 - 10:23:01 PST)
Carlos Simmerling
- Re: AMBER: nrespa=2 (Tue Dec 21 2004 - 07:54:15 PST)
- Re: AMBER: Kinetics energy (Sat Dec 18 2004 - 11:07:11 PST)
- Re: AMBER: imin=5 in sander (Mon Dec 06 2004 - 17:52:14 PST)
- Re: AMBER: strange bond energies (Mon Dec 06 2004 - 06:22:10 PST)
Carsten Detering
- AMBER: mm_pbsa (Wed Dec 15 2004 - 13:57:13 PST)
Cenk Andac
- Re: AMBER: Problem with computing Resp charges using RED (Thu Dec 30 2004 - 09:30:34 PST)
- AMBER: Problem with computing Resp charges using RED (Sat Dec 25 2004 - 07:54:54 PST)
- AMBER: mm_gbsa results for charged ligands (Fri Dec 24 2004 - 01:50:10 PST)
- Re: AMBER: Re: INSTALLATION GUIDE FOR IFORT AND AMBER8 IN LINUX SUSE 9.1 ....Re: AMBER: SUSE 9.1 and AMBER 8 (Wed Dec 01 2004 - 19:04:31 PST)
Chen Song
- AMBER: energy unit (Wed Dec 22 2004 - 21:20:00 PST)
Daniel Wetzler
- Re: AMBER: Question concerning ANAL total energy calculation (Mon Dec 20 2004 - 13:15:12 PST)
- Re: AMBER: Question concerning ANAL total energy calculation (Sat Dec 18 2004 - 01:33:26 PST)
- AMBER: Question concerning ANAL total energy calculation (Fri Dec 17 2004 - 04:04:05 PST)
David A. Case
- Re: AMBER: Dummy Atoms: How to create them? (Thu Dec 30 2004 - 19:55:59 PST)
- Re: AMBER: Molecular modelling. (Thu Dec 23 2004 - 18:03:50 PST)
- Re: AMBER: Output of sander (Thu Dec 23 2004 - 13:35:49 PST)
- Re: AMBER: amber7 on digital unix (Thu Dec 23 2004 - 10:26:55 PST)
- Re: AMBER: amber7 on digital unix (Thu Dec 23 2004 - 08:18:46 PST)
- Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules (Wed Dec 22 2004 - 16:39:57 PST)
- Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules (Wed Dec 22 2004 - 13:50:00 PST)
- Re: AMBER: Output of sander (Wed Dec 22 2004 - 09:35:27 PST)
- Re: AMBER: a question (Tue Dec 21 2004 - 14:07:51 PST)
- Re: AMBER: Ideal bonds and angles (Tue Dec 21 2004 - 10:52:15 PST)
- Re: AMBER: constraints on atoms (Tue Dec 21 2004 - 09:12:55 PST)
- Re: AMBER: parameter development (Tue Dec 21 2004 - 08:53:19 PST)
- Re: AMBER: Sander TI (Tue Dec 21 2004 - 08:15:50 PST)
- Re: AMBER: nrespa=2 (Tue Dec 21 2004 - 07:52:53 PST)
- Re: AMBER: Dummy torsion paramters for thermodynamic integration (Tue Dec 21 2004 - 07:49:29 PST)
- Re: AMBER: Question concerning ANAL total energy calculation (Mon Dec 20 2004 - 14:10:08 PST)
- Re: AMBER: Question on tleap of amber8 (Mon Dec 20 2004 - 09:27:07 PST)
- Re: AMBER: Question concerning ANAL total energy calculation (Sat Dec 18 2004 - 08:50:01 PST)
- Re: AMBER: nanotube parameters (Fri Dec 17 2004 - 15:34:31 PST)
- Re: AMBER: General Question about AMBER's Free Energy Perturbation Method (Fri Dec 17 2004 - 15:26:34 PST)
- Re: AMBER: entropy implementation in ptraj (Fri Dec 17 2004 - 08:11:29 PST)
- Re: AMBER: Question concerning ANAL total energy calculation (Fri Dec 17 2004 - 07:58:49 PST)
- Re: AMBER: Residue Loading Problem (Thu Dec 16 2004 - 18:10:43 PST)
- Re: AMBER: About MM/PBSA, PB Calculation (Thu Dec 16 2004 - 09:38:32 PST)
- Re: Re: Re: AMBER: Why the surface calculations sometimes fail? (Thu Dec 16 2004 - 09:32:29 PST)
- Re: AMBER: General Question about AMBER's Free Energy Perturbation Method (Wed Dec 15 2004 - 23:03:18 PST)
- Re: AMBER: Ewald (Wed Dec 15 2004 - 10:17:04 PST)
- Re: AMBER: entropy implementation in ptraj (Wed Dec 15 2004 - 10:07:50 PST)
- Re: AMBER: unknown elements (Wed Dec 15 2004 - 10:00:32 PST)
- Re: AMBER: Compiling question (Tue Dec 14 2004 - 11:33:34 PST)
- Re: Re: AMBER: Why the surface calculations sometimes fail? (Mon Dec 13 2004 - 18:29:17 PST)
- Re: AMBER: Why the charge is not an integer? (Sun Dec 12 2004 - 13:05:57 PST)
- Re: AMBER: Implicit Solvent Models (Fri Dec 10 2004 - 08:51:12 PST)
- Re: AMBER: Why the surface calculations sometimes fail? (Wed Dec 08 2004 - 11:52:29 PST)
- Re: AMBER: (Wed Dec 08 2004 - 11:49:41 PST)
- Re: AMBER: 1-4 EEL (Wed Dec 08 2004 - 10:13:08 PST)
- Re: AMBER: NMR constraint problem (Wed Dec 08 2004 - 10:08:11 PST)
- Re: AMBER: some questions.... (Wed Dec 08 2004 - 10:04:13 PST)
- Re: AMBER: (no subject) (Tue Dec 07 2004 - 05:00:49 PST)
- Re: AMBER: install problem (Tue Dec 07 2004 - 05:03:12 PST)
- Re: AMBER: Dielectric Constant (Sat Dec 04 2004 - 15:15:10 PST)
- Re: AMBER: Implicit 4r md (Fri Dec 03 2004 - 08:48:00 PST)
- Re: AMBER: restrainted torsion (Thu Dec 02 2004 - 11:12:19 PST)
- Re: AMBER: ntt parameter (Wed Dec 01 2004 - 16:14:30 PST)
- Re: AMBER: Leap & x86_64 / PGI (was: xleap solvatebox/oct problem) (Wed Dec 01 2004 - 09:44:12 PST)
- Re: AMBER: FEP along a reaction coordinate in sander (Wed Dec 01 2004 - 09:38:45 PST)
David Smith
- Re: AMBER: cluster analysis with ptraj in amber 8.0 (Tue Dec 21 2004 - 00:47:46 PST)
- Re: AMBER: extracting energy from trajector? (Thu Dec 02 2004 - 13:30:59 PST)
- Re: AMBER: ntt parameter (Thu Dec 02 2004 - 02:30:01 PST)
david.evans.ulsop.ac.uk
- Re: AMBER: pbsa error in mm_pbsa amber 8 (Tue Dec 14 2004 - 07:28:24 PST)
- Re: AMBER: pbsa error in mm_pbsa amber 8 (Thu Dec 09 2004 - 08:15:52 PST)
- Re: AMBER: Residue Loading Problem (Fri Dec 03 2004 - 01:41:13 PST)
Eric Hu
- AMBER: cluster analysis with ptraj in amber 8.0 (Mon Dec 20 2004 - 18:01:26 PST)
Fabian Boes
- Re: AMBER: ptraj hbond memory allocation on opteron (Tue Dec 14 2004 - 06:33:42 PST)
- AMBER: ptraj hbond memory allocation on opteron (Mon Dec 13 2004 - 04:07:11 PST)
fangyu liang
- AMBER: How is optimization done during energy minimization of the force field? (Thu Dec 30 2004 - 21:11:28 PST)
Furse, Kristina Elisabet
- Re: AMBER: Residue Loading Problem (Thu Dec 02 2004 - 23:23:05 PST)
FyD
- Re: AMBER: Problem with computing Resp charges using RED (Wed Dec 29 2004 - 12:54:05 PST)
- Re: AMBER: Why the charge is not an integer? (Sun Dec 12 2004 - 11:47:02 PST)
Garhan Attebury
- AMBER: Residue Loading Problem (Thu Dec 02 2004 - 22:20:51 PST)
Germán Sciaini
- AMBER: a question (Tue Dec 21 2004 - 06:10:14 PST)
- AMBER: Kinetics energy (Sat Dec 18 2004 - 09:54:04 PST)
- AMBER: some questions.... (Wed Dec 08 2004 - 08:49:55 PST)
Guanglei Cui
- Re: AMBER: Why the charge is not an integer? (Sun Dec 12 2004 - 08:21:32 PST)
Harald Lanig
- AMBER: MD simulations on heparin and heparin sulfate (Thu Dec 30 2004 - 08:23:24 PST)
Harianto
- Re: AMBER: Output of sander (Thu Dec 23 2004 - 12:36:27 PST)
- Re: AMBER: energy unit (Thu Dec 23 2004 - 08:25:32 PST)
- AMBER: Output of sander (Wed Dec 22 2004 - 08:09:37 PST)
hj zou
- Re: Re: Re: AMBER: Why the surface calculations sometimes fail? (Wed Dec 15 2004 - 20:12:59 PST)
- Re: Re: AMBER: Why the surface calculations sometimes fail? (Wed Dec 08 2004 - 17:58:19 PST)
- AMBER: Why the surface calculations sometimes fail? (Tue Dec 07 2004 - 22:53:09 PST)
Holger Gohlke
- Re: AMBER: mm_gbsa results for charged ligands (Fri Dec 24 2004 - 02:31:22 PST)
- Re: AMBER: No radius found for 2412 Zn Zn (Fri Dec 10 2004 - 02:22:19 PST)
- Re: AMBER: No radius found for 2412 Zn Zn (Fri Dec 10 2004 - 00:21:45 PST)
Ilyas Yildirim
- AMBER: Dummy Atoms: How to create them? (Thu Dec 30 2004 - 17:23:02 PST)
- Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules (Mon Dec 20 2004 - 16:42:29 PST)
- Re: AMBER: General Question about AMBER's Free Energy Perturbation Method (Fri Dec 17 2004 - 13:53:07 PST)
- AMBER: General Question about AMBER's Free Energy Perturbation Method (Wed Dec 15 2004 - 20:13:07 PST)
- AMBER: Free Energy Perturbation using Sander (TI Method) (Wed Dec 15 2004 - 18:43:09 PST)
- RE: AMBER: Workshop 2004, Tutorial #6, QMMM MD Simulation (Wed Dec 15 2004 - 16:47:05 PST)
- AMBER: Workshop 2004, Tutorial #6, QMMM MD Simulation (Mon Dec 13 2004 - 20:34:34 PST)
- AMBER: Re: INSTALLATION GUIDE FOR IFORT AND AMBER8 IN LINUX SUSE 9.1 ....Re: AMBER: SUSE 9.1 and AMBER 8 (Wed Dec 01 2004 - 13:12:49 PST)
Jack Lei
- Re: AMBER: No radius found for 2412 Zn Zn (Fri Dec 10 2004 - 06:49:53 PST)
- Re: AMBER: Compiling Antechamber/Amber8 with ia64_ifort (Mon Dec 06 2004 - 07:11:05 PST)
James W. Caldwell
- Re: AMBER: Compiling question (Tue Dec 14 2004 - 12:10:19 PST)
jianhui wu
- AMBER: Gigabit Ethernet Switch/Opteron 246 (Tue Dec 07 2004 - 09:09:11 PST)
Jianwen Jiang
- Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules (Wed Dec 22 2004 - 13:59:47 PST)
- Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules (Wed Dec 22 2004 - 12:01:40 PST)
- Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules (Tue Dec 21 2004 - 18:22:00 PST)
- Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules (Tue Dec 21 2004 - 14:30:47 PST)
- AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules (Mon Dec 20 2004 - 16:18:52 PST)
Jiten
- AMBER: mm_pbsa +fillratio (Fri Dec 31 2004 - 01:31:57 PST)
- AMBER: MM_PBSA calculation error (Thu Dec 30 2004 - 02:57:30 PST)
- AMBER: MM_PBSA calculations (Wed Dec 29 2004 - 23:22:25 PST)
John Bushnell
- Re: AMBER: NMR constraint problem (Wed Dec 08 2004 - 12:39:32 PST)
John Mongan
- Re: AMBER: Why the charge is not an integer? (Tue Dec 14 2004 - 19:10:49 PST)
Kevin Murphy
- AMBER: install problem (Tue Dec 07 2004 - 02:23:11 PST)
Magne Olufsen
- AMBER: strange bond energies (Mon Dec 06 2004 - 05:42:16 PST)
Marsita M
- AMBER: nrespa=2 (Tue Dec 21 2004 - 07:19:58 PST)
- AMBER: Dielectric Constant (Sat Dec 04 2004 - 03:42:36 PST)
Masataka Nagaoka
- Re: AMBER: FEP along a reaction coordinate in sander (Wed Dec 01 2004 - 04:05:01 PST)
mmv
- AMBER: Why the charge is not an integer? (Sun Dec 12 2004 - 01:44:36 PST)
MURAT CETINKAYA
- AMBER: nanotube parameters (Fri Dec 17 2004 - 12:28:24 PST)
- AMBER: sander imin=5 (Thu Dec 16 2004 - 00:01:45 PST)
- AMBER: imin=5 in sander (Tue Dec 07 2004 - 11:07:34 PST)
- Re: AMBER: extracting energy from trajector? (Thu Dec 02 2004 - 12:56:47 PST)
myang
- Re: AMBER: How is optimization done during energy minimization of the force field? (Fri Dec 31 2004 - 08:49:58 PST)
Nelson Fonseca
- AMBER: Implicit Solvent Models (Thu Dec 09 2004 - 04:02:10 PST)
Nhat-hang Duong
- AMBER: Ideal bonds and angles (Tue Dec 21 2004 - 09:49:38 PST)
nlxc
- Re: AMBER: About MM/PBSA, PB Calculation (Thu Dec 16 2004 - 14:31:13 PST)
- AMBER: About MM/PBSA, PB Calculation (Wed Dec 15 2004 - 15:11:29 PST)
Okimoto Noriaki
- AMBER: Question on tleap of amber8 (Mon Dec 20 2004 - 01:00:38 PST)
Osman Gani
- AMBER: Molecular modelling. (Thu Dec 23 2004 - 06:44:05 PST)
Peter Gannett
- AMBER: cobalt parameters (Mon Dec 13 2004 - 17:21:50 PST)
qlu.notes.cc.sunysb.edu
- RE: AMBER: question about parallel simulation (Thu Dec 02 2004 - 13:28:43 PST)
- RE: AMBER: question about parallel simulation (Thu Dec 02 2004 - 12:30:28 PST)
- RE: AMBER: question about parallel simulation (Wed Dec 01 2004 - 15:38:01 PST)
- AMBER: question about parallel simulation (Wed Dec 01 2004 - 11:17:43 PST)
Raik Grünberg
- Re: AMBER: entropy implementation in ptraj (Fri Dec 17 2004 - 06:44:13 PST)
- AMBER: entropy implementation in ptraj (Tue Dec 14 2004 - 09:37:18 PST)
Ray Luo
- Re: AMBER: pbsa error in mm_pbsa amber 8 (Thu Dec 16 2004 - 15:58:29 PST)
- Re: AMBER: pbsa error in mm_pbsa amber 8 (Tue Dec 14 2004 - 22:17:01 PST)
- Re: AMBER: pbsa error in mm_pbsa amber 8 (Fri Dec 10 2004 - 13:36:53 PST)
- Re: AMBER: pbsa error in mm_pbsa amber 8 (Fri Dec 10 2004 - 10:17:07 PST)
Robert Duke
- Re: AMBER: Compiling question (Tue Dec 14 2004 - 11:51:20 PST)
Ross Walker
- RE: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules (Tue Dec 21 2004 - 21:26:48 PST)
- RE: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules (Mon Dec 20 2004 - 16:55:17 PST)
- RE: AMBER: Compiling question (Tue Dec 14 2004 - 11:44:27 PST)
- RE: AMBER: Workshop 2004, Tutorial #6, QMMM MD Simulation (Tue Dec 14 2004 - 09:53:58 PST)
- RE: AMBER: Why the charge is not an integer? (Mon Dec 13 2004 - 10:15:13 PST)
- RE: AMBER: how to prepare Zn.lib (Fri Dec 10 2004 - 10:29:24 PST)
- RE: AMBER: calculate ligand's rmsd (Wed Dec 08 2004 - 22:00:30 PST)
- RE: AMBER: Gigabit Ethernet Switch/Opteron 246 (Tue Dec 07 2004 - 10:11:24 PST)
- RE: AMBER: FW: two processor amd 64 bit pc (Mon Dec 06 2004 - 19:17:41 PST)
- RE: AMBER: cut-off & MD (Mon Dec 06 2004 - 13:17:30 PST)
- Re: AMBER: ntt parameter (Thu Dec 02 2004 - 23:11:31 PST)
- RE: AMBER: question about parallel simulation (Thu Dec 02 2004 - 14:37:12 PST)
- RE: AMBER: question about parallel simulation (Wed Dec 01 2004 - 17:00:33 PST)
- RE: AMBER: question about parallel simulation (Wed Dec 01 2004 - 12:40:19 PST)
Sanjeev B.S.
- AMBER: MD: Water network analysis + visualization (Fri Dec 17 2004 - 10:23:22 PST)
Sebastian Fernandez Alberti
- AMBER: parameter development (Mon Dec 20 2004 - 11:34:42 PST)
Shekter, Lee
- AMBER: nmode & mm-pbsa (Thu Dec 02 2004 - 18:50:45 PST)
Spero Manolatos
- AMBER: FW: two processor amd 64 bit pc (Mon Dec 06 2004 - 17:36:33 PST)
Stefano.Pieraccini.unimi.it
- Re: AMBER: Implicit 4r md (Wed Dec 01 2004 - 00:52:27 PST)
Stern, Julie
- AMBER: converting from NAMD trajectory format (Mon Dec 06 2004 - 15:02:49 PST)
tang kwa
- AMBER: Ewald (Wed Dec 15 2004 - 08:31:41 PST)
- AMBER: 1-4 EEL (Tue Dec 07 2004 - 09:12:54 PST)
- AMBER: restrainted torsion (Thu Dec 02 2004 - 05:18:43 PST)
- AMBER: ntt parameter (Wed Dec 01 2004 - 13:32:22 PST)
Thomas E. Cheatham, III
- Re: AMBER: converting from NAMD trajectory format (Wed Dec 08 2004 - 16:53:50 PST)
Thomas Steinbrecher
- AMBER: Dummy torsion paramters for thermodynamic integration (Tue Dec 21 2004 - 00:25:31 PST)
Tomasz Borowski
- AMBER: FEP along a reaction coordinate in sander (Wed Dec 01 2004 - 00:46:54 PST)
Toru Yagi
- AMBER: Compiling Antechamber/Amber8 with ia64_ifort (Sun Dec 05 2004 - 22:25:02 PST)
Tru Huynh
- (long) Re: AMBER: Leap & x86_64 / PGI (was: xleap solvatebox/oct problem) (Thu Dec 02 2004 - 12:00:17 PST)
Wanxin Sun
- AMBER: (Mon Dec 06 2004 - 07:06:25 PST)
xhu1.memphis.edu
- AMBER: question about MGB and PB (Fri Dec 10 2004 - 14:12:30 PST)
- Re: AMBER: question about mmpbsa (Wed Dec 08 2004 - 14:23:27 PST)
- AMBER: question about mmpbsa (Tue Dec 07 2004 - 17:20:19 PST)
Xiaowei (David) Li
- AMBER: one question about dielectric dependent model (Sun Dec 05 2004 - 09:42:56 PST)
Yanze Zhang
- Re: AMBER: Compiling question (Tue Dec 14 2004 - 12:11:07 PST)
- AMBER: Compiling question (Tue Dec 14 2004 - 11:27:53 PST)
yen li
- AMBER: question about md's (Fri Dec 10 2004 - 07:27:39 PST)
- AMBER: md's (Mon Dec 06 2004 - 08:08:07 PST)
- Re: AMBER: Implicit 4r md (Thu Dec 02 2004 - 21:14:06 PST)
Yong Xu
- AMBER: RMSD of ligand (Thu Dec 23 2004 - 16:26:14 PST)
- AMBER: nmode problem (Thu Dec 16 2004 - 20:16:23 PST)
- Re: Re: AMBER: No radius found for 2412 Zn Zn (Fri Dec 10 2004 - 21:53:18 PST)
- Re: Re: AMBER: No radius found for 2412 Zn Zn (Fri Dec 10 2004 - 01:15:14 PST)
- AMBER: how to prepare Zn.lib (Thu Dec 09 2004 - 23:50:16 PST)
- AMBER: No radius found for 2412 Zn Zn (Thu Dec 09 2004 - 23:13:37 PST)
- AMBER: calculate ligand's rmsd (Wed Dec 08 2004 - 22:11:15 PST)
Youyi Peng
- AMBER: unknown elements (Wed Dec 15 2004 - 08:33:54 PST)
yuann
- AMBER: Binding free energy from separate/single trajectory (Sun Dec 12 2004 - 21:01:17 PST)

Amber Archive Dec 2004 by author