Amber Archive Dec 2004: By Thread

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

Amber Archive Dec 2004 By Thread