AMBER Archive (2004) - Dec 2004 By DateMost recent messages
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About this archive
Starting: Wed Dec 01 2004 - 02:46:54 CST
Ending: Fri Dec 31 2004 - 10:49:58 CST
- Re: AMBER: ptraj questions Oliver Hucke (Wed Dec 01 2004 - 11:59:06 CST)
- AMBER: FEP along a reaction coordinate in sander Tomasz Borowski (Wed Dec 01 2004 - 02:46:54 CST)
- Re: AMBER: Implicit 4r md Stefano.Pieraccini_at_unimi.it (Wed Dec 01 2004 - 02:52:27 CST)
- Re: AMBER: FEP along a reaction coordinate in sander Masataka Nagaoka (Wed Dec 01 2004 - 06:05:01 CST)
- Re: AMBER: FEP along a reaction coordinate in sander David A. Case (Wed Dec 01 2004 - 11:38:45 CST)
- Re: AMBER: Leap & x86_64 / PGI (was: xleap solvatebox/oct problem) David A. Case (Wed Dec 01 2004 - 11:44:12 CST)
- AMBER: question about parallel simulation qlu_at_notes.cc.sunysb.edu (Wed Dec 01 2004 - 13:17:43 CST)
- RE: AMBER: question about parallel simulation Ross Walker (Wed Dec 01 2004 - 14:40:19 CST)
- AMBER: Re: INSTALLATION GUIDE FOR IFORT AND AMBER8 IN LINUX SUSE 9.1 ....Re: AMBER: SUSE 9.1 and AMBER 8 Ilyas Yildirim (Wed Dec 01 2004 - 15:12:49 CST)
- AMBER: ntt parameter tang kwa (Wed Dec 01 2004 - 15:32:22 CST)
- RE: AMBER: question about parallel simulation qlu_at_notes.cc.sunysb.edu (Wed Dec 01 2004 - 17:38:01 CST)
- Re: AMBER: ntt parameter David A. Case (Wed Dec 01 2004 - 18:14:30 CST)
- RE: AMBER: question about parallel simulation Ross Walker (Wed Dec 01 2004 - 19:00:33 CST)
- Re: AMBER: Re: INSTALLATION GUIDE FOR IFORT AND AMBER8 IN LINUX SUSE 9.1 ....Re: AMBER: SUSE 9.1 and AMBER 8 Cenk Andac (Wed Dec 01 2004 - 21:04:31 CST)
- Re: AMBER: increasing the maximum value of NPHB parameter Alena Shmygelska (Thu Dec 02 2004 - 01:42:44 CST)
- Re: AMBER: ntt parameter David Smith (Thu Dec 02 2004 - 04:30:01 CST)
- AMBER: restrainted torsion tang kwa (Thu Dec 02 2004 - 07:18:43 CST)
- Re: AMBER: restrainted torsion David A. Case (Thu Dec 02 2004 - 13:12:19 CST)
- (long) Re: AMBER: Leap & x86_64 / PGI (was: xleap solvatebox/oct problem) Tru Huynh (Thu Dec 02 2004 - 14:00:17 CST)
- RE: AMBER: question about parallel simulation qlu_at_notes.cc.sunysb.edu (Thu Dec 02 2004 - 14:30:28 CST)
- Re: AMBER: extracting energy from trajector? MURAT CETINKAYA (Thu Dec 02 2004 - 14:56:47 CST)
- RE: AMBER: question about parallel simulation qlu_at_notes.cc.sunysb.edu (Thu Dec 02 2004 - 15:28:43 CST)
- Re: AMBER: extracting energy from trajector? David Smith (Thu Dec 02 2004 - 15:30:59 CST)
- RE: AMBER: question about parallel simulation Ross Walker (Thu Dec 02 2004 - 16:37:12 CST)
- AMBER: nmode & mm-pbsa Shekter, Lee (Thu Dec 02 2004 - 20:50:45 CST)
- Re: AMBER: Implicit 4r md yen li (Thu Dec 02 2004 - 23:14:06 CST)
- AMBER: Residue Loading Problem Garhan Attebury (Fri Dec 03 2004 - 00:20:51 CST)
- Re: AMBER: ntt parameter Ross Walker (Fri Dec 03 2004 - 01:11:31 CST)
- Re: AMBER: Residue Loading Problem Furse, Kristina Elisabet (Fri Dec 03 2004 - 01:23:05 CST)
- Re: AMBER: Residue Loading Problem david.evans_at_ulsop.ac.uk (Fri Dec 03 2004 - 03:41:13 CST)
- Re: AMBER: Implicit 4r md David A. Case (Fri Dec 03 2004 - 10:48:00 CST)
- AMBER: Dielectric Constant Marsita M (Sat Dec 04 2004 - 05:42:36 CST)
- Re: AMBER: Dielectric Constant Bill Ross (Sat Dec 04 2004 - 14:22:33 CST)
- Re: AMBER: Dielectric Constant David A. Case (Sat Dec 04 2004 - 17:15:10 CST)
- AMBER: one question about dielectric dependent model Xiaowei (David) Li (Sun Dec 05 2004 - 11:42:56 CST)
- AMBER: Compiling Antechamber/Amber8 with ia64_ifort Toru Yagi (Mon Dec 06 2004 - 00:25:02 CST)
- Re: AMBER: Compiling Antechamber/Amber8 with ia64_ifort Andreas Svrcek-Seiler (Mon Dec 06 2004 - 02:56:34 CST)
- AMBER: strange bond energies Magne Olufsen (Mon Dec 06 2004 - 07:42:16 CST)
- Re: AMBER: strange bond energies Carlos Simmerling (Mon Dec 06 2004 - 08:22:10 CST)
- AMBER: Wanxin Sun (Mon Dec 06 2004 - 09:06:25 CST)
- Re: AMBER: Compiling Antechamber/Amber8 with ia64_ifort Jack Lei (Mon Dec 06 2004 - 09:11:05 CST)
- AMBER: md's yen li (Mon Dec 06 2004 - 10:08:07 CST)
- AMBER: cut-off & MD bybaker_at_itsa.ucsf.edu (Mon Dec 06 2004 - 14:49:04 CST)
- RE: AMBER: cut-off & MD Ross Walker (Mon Dec 06 2004 - 15:17:30 CST)
- AMBER: converting from NAMD trajectory format Stern, Julie (Mon Dec 06 2004 - 17:02:49 CST)
- AMBER: FW: two processor amd 64 bit pc Spero Manolatos (Mon Dec 06 2004 - 19:36:33 CST)
- RE: AMBER: FW: two processor amd 64 bit pc Ross Walker (Mon Dec 06 2004 - 21:17:41 CST)
- AMBER: (no subject) Andrew Box (Mon Dec 06 2004 - 21:32:52 CST)
- AMBER: install problem Kevin Murphy (Tue Dec 07 2004 - 04:23:11 CST)
- Re: AMBER: install problem David A. Case (Tue Dec 07 2004 - 07:03:12 CST)
- Re: AMBER: (no subject) David A. Case (Tue Dec 07 2004 - 07:00:49 CST)
- AMBER: Gigabit Ethernet Switch/Opteron 246 jianhui wu (Tue Dec 07 2004 - 11:09:11 CST)
- AMBER: 1-4 EEL tang kwa (Tue Dec 07 2004 - 11:12:54 CST)
- RE: AMBER: Gigabit Ethernet Switch/Opteron 246 Ross Walker (Tue Dec 07 2004 - 12:11:24 CST)
- AMBER: imin=5 in sander MURAT CETINKAYA (Tue Dec 07 2004 - 13:07:34 CST)
- Re: AMBER: imin=5 in sander Carlos Simmerling (Mon Dec 06 2004 - 19:52:14 CST)
- Re: AMBER: imin=5 in sander Asim Okur (Tue Dec 07 2004 - 14:47:38 CST)
- Re: AMBER: imin=5 in sander Asim Okur (Tue Dec 07 2004 - 14:44:52 CST)
- AMBER: question about mmpbsa xhu1_at_memphis.edu (Tue Dec 07 2004 - 19:20:19 CST)
- AMBER: NMR constraint problem Andrew Box (Tue Dec 07 2004 - 21:06:02 CST)
- AMBER: Why the surface calculations sometimes fail? hj zou (Wed Dec 08 2004 - 00:53:09 CST)
- AMBER: some questions.... Germán Sciaini (Wed Dec 08 2004 - 10:49:55 CST)
- Re: AMBER: question about mmpbsa cailliez (Wed Dec 08 2004 - 12:23:01 CST)
- Re: AMBER: some questions.... David A. Case (Wed Dec 08 2004 - 12:04:13 CST)
- Re: AMBER: NMR constraint problem David A. Case (Wed Dec 08 2004 - 12:08:11 CST)
- Re: AMBER: 1-4 EEL David A. Case (Wed Dec 08 2004 - 12:13:08 CST)
- Re: AMBER: David A. Case (Wed Dec 08 2004 - 13:49:41 CST)
- Re: AMBER: Why the surface calculations sometimes fail? David A. Case (Wed Dec 08 2004 - 13:52:29 CST)
- Re: AMBER: NMR constraint problem John Bushnell (Wed Dec 08 2004 - 14:39:32 CST)
- Re: AMBER: question about mmpbsa xhu1_at_memphis.edu (Wed Dec 08 2004 - 16:23:27 CST)
- Re: AMBER: converting from NAMD trajectory format Thomas E. Cheatham, III (Wed Dec 08 2004 - 18:53:50 CST)
- Re: Re: AMBER: Why the surface calculations sometimes fail? hj zou (Wed Dec 08 2004 - 19:58:19 CST)
- AMBER: calculate ligand's rmsd Yong Xu (Thu Dec 09 2004 - 00:11:15 CST)
- RE: AMBER: calculate ligand's rmsd Ross Walker (Thu Dec 09 2004 - 00:00:30 CST)
- AMBER: Implicit Solvent Models Nelson Fonseca (Thu Dec 09 2004 - 06:02:10 CST)
- AMBER: pbsa error in mm_pbsa amber 8 Ben Cossins (Thu Dec 09 2004 - 08:58:19 CST)
- Re: AMBER: pbsa error in mm_pbsa amber 8 Ben Cossins (Thu Dec 09 2004 - 09:19:20 CST)
- Re: AMBER: pbsa error in mm_pbsa amber 8 david.evans_at_ulsop.ac.uk (Thu Dec 09 2004 - 10:15:52 CST)
- AMBER: No radius found for 2412 Zn Zn Yong Xu (Fri Dec 10 2004 - 01:13:37 CST)
- AMBER: how to prepare Zn.lib Yong Xu (Fri Dec 10 2004 - 01:50:16 CST)
- Re: AMBER: No radius found for 2412 Zn Zn Holger Gohlke (Fri Dec 10 2004 - 02:21:45 CST)
- Re: Re: AMBER: No radius found for 2412 Zn Zn Yong Xu (Fri Dec 10 2004 - 03:15:14 CST)
- Re: AMBER: No radius found for 2412 Zn Zn Holger Gohlke (Fri Dec 10 2004 - 04:22:19 CST)
- Re: AMBER: pbsa error in mm_pbsa amber 8 Ben Cossins (Fri Dec 10 2004 - 07:05:33 CST)
- Re: AMBER: No radius found for 2412 Zn Zn Jack Lei (Fri Dec 10 2004 - 08:49:53 CST)
- AMBER: question about md's yen li (Fri Dec 10 2004 - 09:27:39 CST)
- Re: AMBER: Implicit Solvent Models David A. Case (Fri Dec 10 2004 - 10:51:12 CST)
- Re: AMBER: pbsa error in mm_pbsa amber 8 Ray Luo (Fri Dec 10 2004 - 12:17:07 CST)
- RE: AMBER: how to prepare Zn.lib Ross Walker (Fri Dec 10 2004 - 12:29:24 CST)
- Re: AMBER: pbsa error in mm_pbsa amber 8 Ray Luo (Fri Dec 10 2004 - 15:36:53 CST)
- AMBER: question about MGB and PB xhu1_at_memphis.edu (Fri Dec 10 2004 - 16:12:30 CST)
- Re: Re: AMBER: No radius found for 2412 Zn Zn Yong Xu (Fri Dec 10 2004 - 23:53:18 CST)
- AMBER: Why the charge is not an integer? mmv (Sun Dec 12 2004 - 03:44:36 CST)
- Re: AMBER: Why the charge is not an integer? Guanglei Cui (Sun Dec 12 2004 - 10:21:32 CST)
- Re: AMBER: Why the charge is not an integer? FyD (Sun Dec 12 2004 - 13:47:02 CST)
- Re: AMBER: Why the charge is not an integer? David A. Case (Sun Dec 12 2004 - 15:05:57 CST)
- AMBER: Binding free energy from separate/single trajectory yuann (Sun Dec 12 2004 - 23:01:17 CST)
- AMBER: ptraj hbond memory allocation on opteron Fabian Boes (Mon Dec 13 2004 - 06:07:11 CST)
- Re: AMBER: ptraj hbond memory allocation on opteron Andreas Svrcek-Seiler (Mon Dec 13 2004 - 10:07:25 CST)
- RE: AMBER: Why the charge is not an integer? Ross Walker (Mon Dec 13 2004 - 12:15:13 CST)
- AMBER: cobalt parameters Peter Gannett (Mon Dec 13 2004 - 19:21:50 CST)
- Re: Re: AMBER: Why the surface calculations sometimes fail? David A. Case (Mon Dec 13 2004 - 20:29:17 CST)
- AMBER: Workshop 2004, Tutorial #6, QMMM MD Simulation Ilyas Yildirim (Mon Dec 13 2004 - 22:34:34 CST)
- AMBER: Why the charge is not an integer? Annette Höglund (Tue Dec 14 2004 - 01:39:11 CST)
- Re: AMBER: pbsa error in mm_pbsa amber 8 Ben Cossins (Tue Dec 14 2004 - 07:41:08 CST)
- Re: AMBER: ptraj hbond memory allocation on opteron Fabian Boes (Tue Dec 14 2004 - 08:33:42 CST)
- Re: AMBER: pbsa error in mm_pbsa amber 8 david.evans_at_ulsop.ac.uk (Tue Dec 14 2004 - 09:28:24 CST)
- Re: AMBER: pbsa error in mm_pbsa amber 8 Ray Luo (Wed Dec 15 2004 - 00:17:01 CST)
- AMBER: entropy implementation in ptraj Raik Grünberg (Tue Dec 14 2004 - 11:37:18 CST)
- RE: AMBER: Workshop 2004, Tutorial #6, QMMM MD Simulation Ross Walker (Tue Dec 14 2004 - 11:53:58 CST)
- AMBER: Compiling question Yanze Zhang (Tue Dec 14 2004 - 13:27:53 CST)
- Re: AMBER: Compiling question David A. Case (Tue Dec 14 2004 - 13:33:34 CST)
- RE: AMBER: Compiling question Ross Walker (Tue Dec 14 2004 - 13:44:27 CST)
- Re: AMBER: Compiling question Robert Duke (Tue Dec 14 2004 - 13:51:20 CST)
- Re: AMBER: Compiling question James W. Caldwell (Tue Dec 14 2004 - 14:10:19 CST)
- Re: AMBER: Compiling question Yanze Zhang (Tue Dec 14 2004 - 14:11:07 CST)
- Re: AMBER: Why the charge is not an integer? John Mongan (Tue Dec 14 2004 - 21:10:49 CST)
- Re: AMBER: pbsa error in mm_pbsa amber 8 Ben Cossins (Wed Dec 15 2004 - 06:04:50 CST)
- AMBER: Ewald tang kwa (Wed Dec 15 2004 - 10:31:41 CST)
- AMBER: unknown elements Youyi Peng (Wed Dec 15 2004 - 10:33:54 CST)
- Re: AMBER: pbsa error in mm_pbsa amber 8 Ray Luo (Thu Dec 16 2004 - 17:58:29 CST)
- Re: AMBER: unknown elements David A. Case (Wed Dec 15 2004 - 12:00:32 CST)
- Re: AMBER: entropy implementation in ptraj David A. Case (Wed Dec 15 2004 - 12:07:50 CST)
- Re: AMBER: Ewald David A. Case (Wed Dec 15 2004 - 12:17:04 CST)
- AMBER: mm_pbsa Carsten Detering (Wed Dec 15 2004 - 15:57:13 CST)
- AMBER: About MM/PBSA, PB Calculation nlxc (Wed Dec 15 2004 - 17:11:29 CST)
- RE: AMBER: Workshop 2004, Tutorial #6, QMMM MD Simulation Ilyas Yildirim (Wed Dec 15 2004 - 18:47:05 CST)
- AMBER: Free Energy Perturbation using Sander (TI Method) Ilyas Yildirim (Wed Dec 15 2004 - 20:43:09 CST)
- AMBER: General Question about AMBER's Free Energy Perturbation Method Ilyas Yildirim (Wed Dec 15 2004 - 22:13:07 CST)
- Re: Re: Re: AMBER: Why the surface calculations sometimes fail? hj zou (Wed Dec 15 2004 - 22:12:59 CST)
- Re: AMBER: General Question about AMBER's Free Energy Perturbation Method David A. Case (Thu Dec 16 2004 - 01:03:18 CST)
- AMBER: sander imin=5 MURAT CETINKAYA (Thu Dec 16 2004 - 02:01:45 CST)
- Re: Re: Re: AMBER: Why the surface calculations sometimes fail? David A. Case (Thu Dec 16 2004 - 11:32:29 CST)
- Re: AMBER: About MM/PBSA, PB Calculation David A. Case (Thu Dec 16 2004 - 11:38:32 CST)
- Re: AMBER: About MM/PBSA, PB Calculation nlxc (Thu Dec 16 2004 - 16:31:13 CST)
- Re: AMBER: Residue Loading Problem David A. Case (Thu Dec 16 2004 - 20:10:43 CST)
- AMBER: nmode problem Yong Xu (Thu Dec 16 2004 - 22:16:23 CST)
- AMBER: Question concerning ANAL total energy calculation Daniel Wetzler (Fri Dec 17 2004 - 06:04:05 CST)
- Re: AMBER: entropy implementation in ptraj Raik Grünberg (Fri Dec 17 2004 - 08:44:13 CST)
- Re: AMBER: Question concerning ANAL total energy calculation David A. Case (Fri Dec 17 2004 - 09:58:49 CST)
- Re: AMBER: entropy implementation in ptraj David A. Case (Fri Dec 17 2004 - 10:11:29 CST)
- AMBER: MD: Water network analysis + visualization Sanjeev B.S. (Fri Dec 17 2004 - 12:23:22 CST)
- AMBER: nanotube parameters MURAT CETINKAYA (Fri Dec 17 2004 - 14:28:24 CST)
- Re: AMBER: General Question about AMBER's Free Energy Perturbation Method Ilyas Yildirim (Fri Dec 17 2004 - 15:53:07 CST)
- Re: AMBER: nanotube parameters Bill Ross (Fri Dec 17 2004 - 15:52:13 CST)
- Re: AMBER: General Question about AMBER's Free Energy Perturbation Method David A. Case (Fri Dec 17 2004 - 17:26:34 CST)
- Re: AMBER: nanotube parameters David A. Case (Fri Dec 17 2004 - 17:34:31 CST)
- Re: AMBER: Question concerning ANAL total energy calculation Daniel Wetzler (Sat Dec 18 2004 - 03:33:26 CST)
- Re: AMBER: Question concerning ANAL total energy calculation David A. Case (Sat Dec 18 2004 - 10:50:01 CST)
- AMBER: Kinetics energy Germán Sciaini (Sat Dec 18 2004 - 11:54:04 CST)
- Re: AMBER: Kinetics energy Carlos Simmerling (Sat Dec 18 2004 - 13:07:11 CST)
- AMBER: Question on tleap of amber8 Okimoto Noriaki (Mon Dec 20 2004 - 03:00:38 CST)
- Re: AMBER: nanotube parameters Andreas Svrcek-Seiler (Mon Dec 20 2004 - 04:02:56 CST)
- Re: AMBER: Kinetics energy Andreas Svrcek-Seiler (Mon Dec 20 2004 - 04:11:10 CST)
- AMBER: constraints on atoms cailliez (Mon Dec 20 2004 - 05:06:19 CST)
- Re: AMBER: Question on tleap of amber8 David A. Case (Mon Dec 20 2004 - 11:27:07 CST)
- AMBER: Sander TI Cai, Yufeng (Mon Dec 20 2004 - 12:11:29 CST)
- AMBER: parameter development Sebastian Fernandez Alberti (Mon Dec 20 2004 - 13:34:42 CST)
- Re: AMBER: Question concerning ANAL total energy calculation Daniel Wetzler (Mon Dec 20 2004 - 15:15:12 CST)
- Re: AMBER: Question concerning ANAL total energy calculation David A. Case (Mon Dec 20 2004 - 16:10:08 CST)
- AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules Jianwen Jiang (Mon Dec 20 2004 - 18:18:52 CST)
- Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules Ilyas Yildirim (Mon Dec 20 2004 - 18:42:29 CST)
- RE: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules Ross Walker (Mon Dec 20 2004 - 18:55:17 CST)
- AMBER: cluster analysis with ptraj in amber 8.0 Eric Hu (Mon Dec 20 2004 - 20:01:26 CST)
- AMBER: Dummy torsion paramters for thermodynamic integration Thomas Steinbrecher (Tue Dec 21 2004 - 02:25:31 CST)
- Re: AMBER: cluster analysis with ptraj in amber 8.0 David Smith (Tue Dec 21 2004 - 02:47:46 CST)
- AMBER: a question Germán Sciaini (Tue Dec 21 2004 - 08:10:14 CST)
- AMBER: nrespa=2 Marsita M (Tue Dec 21 2004 - 09:19:58 CST)
- Re: AMBER: Dummy torsion paramters for thermodynamic integration David A. Case (Tue Dec 21 2004 - 09:49:29 CST)
- Re: AMBER: nrespa=2 David A. Case (Tue Dec 21 2004 - 09:52:53 CST)
- Re: AMBER: nrespa=2 Carlos Simmerling (Tue Dec 21 2004 - 09:54:15 CST)
- Re: AMBER: Sander TI David A. Case (Tue Dec 21 2004 - 10:15:50 CST)
- Re: AMBER: parameter development David A. Case (Tue Dec 21 2004 - 10:53:19 CST)
- Re: AMBER: constraints on atoms David A. Case (Tue Dec 21 2004 - 11:12:55 CST)
- AMBER: Ideal bonds and angles Nhat-hang Duong (Tue Dec 21 2004 - 11:49:38 CST)
- Re: AMBER: Ideal bonds and angles David A. Case (Tue Dec 21 2004 - 12:52:15 CST)
- AMBER: TFE parameters Adrian E. Roitberg (Tue Dec 21 2004 - 14:34:29 CST)
- Re: AMBER: a question David A. Case (Tue Dec 21 2004 - 16:07:51 CST)
- Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules Jianwen Jiang (Tue Dec 21 2004 - 16:30:47 CST)
- Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules Bill Ross (Tue Dec 21 2004 - 16:57:13 CST)
- Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules Jianwen Jiang (Tue Dec 21 2004 - 20:22:00 CST)
- RE: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules Ross Walker (Tue Dec 21 2004 - 23:26:48 CST)
- AMBER: Output of sander Harianto (Wed Dec 22 2004 - 10:09:37 CST)
- Re: AMBER: Output of sander David A. Case (Wed Dec 22 2004 - 11:35:27 CST)
- Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules Jianwen Jiang (Wed Dec 22 2004 - 14:01:40 CST)
- Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules David A. Case (Wed Dec 22 2004 - 15:50:00 CST)
- Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules Jianwen Jiang (Wed Dec 22 2004 - 15:59:47 CST)
- Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules David A. Case (Wed Dec 22 2004 - 18:39:57 CST)
- AMBER: energy unit Chen Song (Wed Dec 22 2004 - 23:20:00 CST)
- AMBER: amber7 on digital unix anshul_at_imtech.res.in (Thu Dec 23 2004 - 16:23:15 CST)
- AMBER: Molecular modelling. Osman Gani (Thu Dec 23 2004 - 08:44:05 CST)
- Re: AMBER: energy unit Harianto (Thu Dec 23 2004 - 10:25:32 CST)
- Re: AMBER: amber7 on digital unix David A. Case (Thu Dec 23 2004 - 10:18:46 CST)
- Re: AMBER: amber7 on digital unix anshul_at_imtech.res.in (Thu Dec 23 2004 - 21:15:47 CST)
- Re: AMBER: amber7 on digital unix David A. Case (Thu Dec 23 2004 - 12:26:55 CST)
- Re: AMBER: Output of sander Harianto (Thu Dec 23 2004 - 14:36:27 CST)
- Re: AMBER: Output of sander David A. Case (Thu Dec 23 2004 - 15:35:49 CST)
- AMBER: RMSD of ligand Yong Xu (Thu Dec 23 2004 - 18:26:14 CST)
- Re: AMBER: Molecular modelling. David A. Case (Thu Dec 23 2004 - 20:03:50 CST)
- AMBER: mm_gbsa results for charged ligands Cenk Andac (Fri Dec 24 2004 - 03:50:10 CST)
- Re: AMBER: mm_gbsa results for charged ligands Holger Gohlke (Fri Dec 24 2004 - 04:31:22 CST)
- AMBER: Problem with computing Resp charges using RED Cenk Andac (Sat Dec 25 2004 - 09:54:54 CST)
- AMBER: input conversion error [Amber8] Bimo Ario Tejo (Tue Dec 28 2004 - 23:15:58 CST)
- AMBER: NSCM Alberto p (Wed Dec 29 2004 - 06:07:48 CST)
- Re: AMBER: Problem with computing Resp charges using RED FyD (Wed Dec 29 2004 - 14:54:05 CST)
- AMBER: MM_PBSA calculations Jiten (Thu Dec 30 2004 - 01:22:25 CST)
- AMBER: MM_PBSA calculation error Jiten (Thu Dec 30 2004 - 04:57:30 CST)
- AMBER: MD simulations on heparin and heparin sulfate Harald Lanig (Thu Dec 30 2004 - 10:23:24 CST)
- Re: AMBER: Problem with computing Resp charges using RED Cenk Andac (Thu Dec 30 2004 - 11:30:34 CST)
- AMBER: Dummy Atoms: How to create them? Ilyas Yildirim (Thu Dec 30 2004 - 19:23:02 CST)
- Re: AMBER: Dummy Atoms: How to create them? David A. Case (Thu Dec 30 2004 - 21:55:59 CST)
- AMBER: How is optimization done during energy minimization of the force field? fangyu liang (Thu Dec 30 2004 - 23:11:28 CST)
- AMBER: mm_pbsa +fillratio Jiten (Fri Dec 31 2004 - 03:31:57 CST)
- Re: AMBER: How is optimization done during energy minimization of the force field? myang (Fri Dec 31 2004 - 10:49:58 CST)
Last message date: Thu May 05 2005 - 14:26:38 CDT
Archived on: Thu May 05 2005 - 14:30:04 CDT
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