Amber Archive Dec 2002 By Thread
- RE: solvateOct Kristina Furse (Sun Dec 01 2002 - 13:57:13 PST)
- Re: solvateOct David A. Case (Mon Dec 02 2002 - 07:40:02 PST)
- err in specifying disulphide bridge using xleap! A.Madhumalar (Mon Dec 02 2002 - 08:25:30 PST)
- Re: err in specifying disulphide bridge using xleap! David A. Case (Mon Dec 02 2002 - 09:05:01 PST)
- penalty function in NMR refinement Mahadevan Seetharaman (Mon Dec 02 2002 - 09:09:05 PST)
- Re: err in specifying disulphide bridge using xleap! James W. Caldwell (Mon Dec 02 2002 - 11:07:07 PST)
- LEAP - Introducing dummy atoms Miguel de Federico (Mon Dec 02 2002 - 08:42:49 PST)
- Re: LEAP - Introducing dummy atoms James W. Caldwell (Mon Dec 02 2002 - 11:11:27 PST)
- Biphasic box (fwd) amber_at_heimdal.compchem.ucsf.edu (Tue Dec 03 2002 - 14:13:10 PST)
- Re: Biphasic box David A. Case (Tue Dec 03 2002 - 15:09:50 PST)
- Re: Biphasic box Gemma Kinsella (Wed Dec 04 2002 - 00:15:53 PST)
- Re: Biphasic box (fwd) James W. Caldwell (Tue Dec 03 2002 - 15:15:50 PST)
- test mail Jim Caldwell (Tue Dec 03 2002 - 14:48:07 PST)
- freeware for RNA modeling on Linux (fwd) amber_at_heimdal.compchem.ucsf.edu (Tue Dec 03 2002 - 14:57:10 PST)
- Re: freeware for RNA modeling on Linux (fwd) David A. Case (Tue Dec 03 2002 - 15:11:48 PST)
- Re: freeware for RNA modeling on Linux (fwd) Joerg-Gerald Siebers (Mon Dec 16 2002 - 18:43:05 PST)
- Re: freeware for RNA modeling on Linux (fwd) James W. Caldwell (Tue Dec 17 2002 - 11:09:37 PST)
- Chains, LEaP and ambpdb Luis Gracia (Tue Dec 17 2002 - 11:47:59 PST)
- Re: Chains, LEaP and ambpdb Ioana Cozmuta (Tue Dec 17 2002 - 13:07:24 PST)
- Re: Chains, LEaP and ambpdb David A. Case (Tue Dec 17 2002 - 13:09:48 PST)
- Re: Chains, LEaP and ambpdb Luis Gracia (Tue Dec 17 2002 - 13:23:55 PST)
- Re: Chains, LEaP and ambpdb David A. Case (Tue Dec 17 2002 - 19:28:21 PST)
- Studying in Australia John Pritchard (Tue Dec 17 2002 - 22:36:07 PST)
- amber trajectory Ioana Cozmuta (Tue Dec 17 2002 - 21:16:14 PST)
- SUMMARY: solvating a protein with large cavity Tom Bishop (Wed Dec 18 2002 - 07:03:27 PST)
- Re: SUMMARY: solvating a protein with large cavity Richard Henchman (Wed Dec 18 2002 - 11:56:20 PST)
- roar-cp problems M. L. Dodson (Wed Dec 18 2002 - 13:00:37 PST)
- Re: SUMMARY: solvating a protein with large cavity Ioana Cozmuta (Wed Dec 18 2002 - 17:21:23 PST)
- MPI_BCAST error Nathan A. Baker (Wed Dec 18 2002 - 07:51:02 PST)
- Re: MPI_BCAST error Scott Brozell (Wed Dec 18 2002 - 13:24:55 PST)
- Re: MPI_BCAST error Nathan A. Baker (Wed Dec 18 2002 - 17:31:47 PST)
- water/nonTIP3P Ioana Cozmuta (Wed Dec 18 2002 - 17:33:23 PST)
- Re: water/nonTIP3P Ioana Cozmuta (Wed Dec 18 2002 - 18:17:24 PST)
- ntwv saves v(t) or v(t+dt/2) ? hagop demirdjian (Thu Dec 19 2002 - 08:04:55 PST)
- Re: ntwv saves v(t) or v(t+dt/2) ? David A. Case (Thu Dec 19 2002 - 09:24:33 PST)
- antechamber Carsten Detering (Wed Dec 18 2002 - 14:32:44 PST)
- message during minimization Ioana Cozmuta (Tue Dec 17 2002 - 21:31:52 PST)
- Re: message during minimization darden (Wed Dec 18 2002 - 08:24:48 PST)
- Re: message during minimization Ioana Cozmuta (Wed Dec 18 2002 - 15:09:05 PST)
- Re: message during minimization darden (Wed Dec 18 2002 - 16:32:21 PST)
- Re: message during minimization Ioana Cozmuta (Wed Dec 18 2002 - 18:02:26 PST)
- Re: message during minimization David A. Case (Thu Dec 19 2002 - 08:05:00 PST)
- chirality.c failure - diagnosis, but no cure... Michael Ford (Thu Dec 19 2002 - 10:07:07 PST)
- Re: chirality.c failure - diagnosis, but no cure... Michael Ford (Thu Dec 19 2002 - 15:25:21 PST)
- selection of residues Ioana Cozmuta (Fri Dec 20 2002 - 16:51:52 PST)
- cap option Ioana Cozmuta (Sun Dec 22 2002 - 17:21:01 PST)
- beginners question dynamic group (Sun Dec 22 2002 - 21:17:52 PST)
- targeted MD sample eric hu (Thu Dec 26 2002 - 12:25:36 PST)
- Molecular dynamic protocol... Andrei Leitão (Fri Dec 27 2002 - 10:40:26 PST)
- Re: Molecular dynamic protocol... David A. Case (Fri Dec 27 2002 - 11:25:51 PST)
- cannot deal with large trajectory? yuann (Sat Dec 28 2002 - 19:17:23 PST)
- Re: cannot deal with large trajectory? yuann (Mon Dec 30 2002 - 18:55:41 PST)
- Trajectory file converted in pdb file Yongjun Jiang (Sun Dec 29 2002 - 17:13:38 PST)
- Sander rfree error kxg2248_at_njit.edu (Mon Dec 30 2002 - 14:58:19 PST)
- Re: Sander rfree error James Caldwell (Mon Dec 30 2002 - 16:36:45 PST)
- sander (CAP) chokes on efc (Itanium2/Linux) Tadashi Takemori (Mon Dec 16 2002 - 23:11:14 PST)
- RE: sander (CAP) chokes on efc (Itanium2/Linux) Karen Haskell (Tue Dec 17 2002 - 14:05:31 PST)
- Re: sander (CAP) chokes on efc (Itanium2/Linux) Tadashi Takemori (Wed Dec 18 2002 - 01:38:25 PST)
- water box, Ioana Cozmuta (Tue Dec 17 2002 - 15:18:31 PST)
- Re: water box, Carlos Simmerling (Wed Dec 18 2002 - 05:18:18 PST)
- Re: water box, darden (Wed Dec 18 2002 - 08:33:07 PST)
- Re: water box, Ioana Cozmuta (Wed Dec 18 2002 - 15:37:41 PST)
- Re: water box, David A. Case (Wed Dec 18 2002 - 16:17:31 PST)
- Re: water box, darden (Wed Dec 18 2002 - 16:45:55 PST)
- off-to-mol2 Anke Eisenmann (Wed Dec 18 2002 - 08:49:22 PST)
- Re: off-to-mol2 David A. Case (Wed Dec 18 2002 - 10:03:48 PST)
- About heating... Andrei Leitão (Wed Dec 18 2002 - 10:23:43 PST)
- Re: About heating... David A. Case (Wed Dec 18 2002 - 11:42:51 PST)
- antechamber Carsten Detering (Wed Dec 18 2002 - 11:38:16 PST)
- mm_pbsa error message! William Wei (Wed Dec 18 2002 - 09:17:16 PST)
- Re: mm_pbsa error message! Michael Ford (Wed Dec 18 2002 - 09:37:57 PST)
- solvatebox Luis Gracia (Tue Dec 17 2002 - 16:52:07 PST)
- Re: solvatebox Luis Gracia (Wed Dec 18 2002 - 07:58:47 PST)
- RST file for nonstandard residue vannajan_at_chiangmai.ac.th (Tue Dec 17 2002 - 01:07:04 PST)
- GIBBS - Routine TORCON (internal constraints) failed Miguel de Federico (Tue Dec 17 2002 - 07:29:04 PST)
- carnal amber 7.0 Vlad Cojocaru (Mon Dec 02 2002 - 00:35:34 PST)
- combinig two trajectory files. Yongjun Jiang (Mon Dec 02 2002 - 04:18:29 PST)
- Re: combinig two trajectory files. Carlos Simmerling (Mon Dec 02 2002 - 04:49:21 PST)
- Re: combinig two trajectory files. Pascal Bonnet (Mon Dec 02 2002 - 04:50:26 PST)
- Re: CCL:freeware for RNA modeling on Linux (fwd) amber_at_heimdal.compchem.ucsf.edu (Tue Dec 03 2002 - 14:57:21 PST)
- Constraints in Amber (fwd) amber_at_heimdal.compchem.ucsf.edu (Tue Dec 03 2002 - 14:57:30 PST)
- Re: Constraints in Amber David A. Case (Tue Dec 03 2002 - 15:16:02 PST)
- gB vs. explicit (fwd) amber_at_heimdal.compchem.ucsf.edu (Tue Dec 03 2002 - 14:57:53 PST)
- Re: gB vs. explicit David A. Case (Wed Dec 04 2002 - 08:28:43 PST)
- Amber Trajectories + VMD (fwd) amber_at_heimdal.compchem.ucsf.edu (Tue Dec 03 2002 - 14:58:00 PST)
- RE: Amber Trajectories + VMD (fwd) Nicholson, James D Mr ARO (Tue Dec 03 2002 - 15:35:09 PST)
- Energy decomposition with ANAL (fwd) amber_at_heimdal.compchem.ucsf.edu (Tue Dec 03 2002 - 14:58:05 PST)
- Re: Energy decomposition with ANAL (fwd) David A. Case (Wed Dec 04 2002 - 08:31:52 PST)
- restrained MD Vlad Cojocaru (Wed Dec 04 2002 - 10:18:54 PST)
- DIANA like files Vlad Cojocaru (Wed Dec 04 2002 - 12:24:12 PST)
- Amber 7 bugfix 27 !! urgent William Wei (Wed Dec 04 2002 - 12:45:13 PST)
- Re: Amber 7 bugfix 27 !! urgent Holger Gohlke (Wed Dec 04 2002 - 13:18:48 PST)
- MDaemon Warning - Virus Found postmaster_at_bydnet.com.pl (Wed Dec 04 2002 - 19:49:28 PST)
- Reflector problems amber_at_heimdal.compchem.ucsf.edu (Tue Dec 03 2002 - 15:05:02 PST)
- Re: corrupted trajectory Shixiang Yan (Tue Dec 03 2002 - 15:36:37 PST)
- increasing the number of processors Ioana Cozmuta (Tue Dec 03 2002 - 16:17:58 PST)
- increasing the number of processors (fwd) Ioana Cozmuta (Tue Dec 03 2002 - 16:19:24 PST)
- Re: corrupted trajectory CUI, Guanglei (Tue Dec 03 2002 - 18:04:13 PST)
- bug fixes Filip Lankas (Thu Dec 05 2002 - 06:48:00 PST)
- Re: bug fixes David A. Case (Thu Dec 05 2002 - 08:41:02 PST)
- not compiled with -DHAS_10_12!! William Wei (Thu Dec 05 2002 - 08:29:22 PST)
- Re: not compiled with -DHAS_10_12!! Sarah Tschampel (Thu Dec 05 2002 - 08:43:40 PST)
- Re: not compiled with -DHAS_10_12!! Carlos Simmerling (Thu Dec 05 2002 - 09:03:08 PST)
- md failure: deep energetics problem eric hu (Thu Dec 05 2002 - 10:42:42 PST)
- Re: md failure: deep energetics problem David A. Case (Thu Dec 05 2002 - 11:55:40 PST)
- ptraj rmsd calculation Thomas Steinbrecher (Thu Dec 05 2002 - 12:15:40 PST)
- Overwrite files Joffre Heredia (Thu Dec 05 2002 - 12:25:33 PST)
- Re: Overwrite files Long Hai (Thu Dec 05 2002 - 13:33:53 PST)
- RE: Overwrite files Yong Duan (Thu Dec 05 2002 - 18:41:37 PST)
- timings? Arvid Soederhaell (Fri Dec 06 2002 - 00:51:10 PST)
- Re: timings? David A. Case (Fri Dec 06 2002 - 07:46:27 PST)
- positional restraints Vlad Cojocaru (Fri Dec 06 2002 - 04:55:05 PST)
- Re: positional restraints David A. Case (Fri Dec 06 2002 - 08:05:02 PST)
- Re: Overwrite files Scott Brozell (Thu Dec 05 2002 - 13:39:23 PST)
- About counterions Andrei Leitão (Thu Dec 05 2002 - 11:10:30 PST)
- Re: About counterions David A. Case (Thu Dec 05 2002 - 11:47:04 PST)
- Cap-atom-pointer in GIBBS Jose Ramon Blas (Thu Dec 05 2002 - 11:50:45 PST)
- Re: Cap-atom-pointer in GIBBS James W. Caldwell (Thu Dec 05 2002 - 11:23:45 PST)
- Re: Energy decomposition with ANAL Numan Oezguen (Fri Dec 06 2002 - 09:08:20 PST)
- Re: Energy decomposition with ANAL Natasja Brooijmans (Fri Dec 06 2002 - 09:24:21 PST)
- default GB radii Robert G. Endres (Fri Dec 06 2002 - 13:00:31 PST)
- Re: default GB radii David A. Case (Fri Dec 06 2002 - 13:11:13 PST)
- carnal Ioana Cozmuta (Fri Dec 06 2002 - 15:47:56 PST)
- Re: carnal Bill Ross (Fri Dec 06 2002 - 17:16:59 PST)
- Re: default GB radii Andreas Svrcek-Seiler (Sat Dec 07 2002 - 04:02:09 PST)
- dual H-bonding of bridging waters - CARNAL Michael Ford (Tue Dec 10 2002 - 16:16:24 PST)
- bad protein structure eric hu (Tue Dec 10 2002 - 17:30:52 PST)
- (no subject) Jennifer Hawkings (Sat Dec 07 2002 - 14:48:46 PST)
- CHARMm NPT input files Mahadevan Seetharaman (Sat Dec 07 2002 - 15:39:07 PST)
- NMR restrains Marcela Madrid (Mon Dec 09 2002 - 12:33:31 PST)
- running sander_classic for amber6 using different version of mpi Asif Rahaman (Mon Dec 09 2002 - 15:01:35 PST)
- difference in energy in amber6 and amber7 Prabal Maiti (Mon Dec 09 2002 - 18:07:15 PST)
- Re: difference in energy in amber6 and amber7 David A. Case (Wed Dec 11 2002 - 07:40:48 PST)
- Question to perturbation charge meiselba (Tue Dec 10 2002 - 05:35:38 PST)
- Re: Energy decomposition with ANAL Numan Oezguen (Mon Dec 16 2002 - 07:49:08 PST)
- Re: FEP/Gibbs question Lepsa (Tue Dec 10 2002 - 07:59:39 PST)
- Fw: Charges derivation question! Lepsa (Wed Dec 11 2002 - 08:21:23 PST)
- Fw: Fw: Charges derivation question! Lepsa (Thu Dec 12 2002 - 01:55:17 PST)
- Re: CCL:Amber7 and partial charges David Case (Wed Dec 11 2002 - 10:07:10 PST)
- Amber 7 MM-PBSA for Amber 6 trajectories Qing Zhang (Thu Dec 12 2002 - 11:52:23 PST)
- Re: Amber 7 MM-PBSA for Amber 6 trajectories David A. Case (Sat Dec 14 2002 - 11:26:01 PST)
- a question about force field in AMBER jzhou (Sat Dec 14 2002 - 17:55:15 PST)
- Re: a question about force field in AMBER sychen (Sat Dec 14 2002 - 21:17:59 PST)
- Re: a question about force field in AMBER David A. Case (Mon Dec 16 2002 - 17:56:29 PST)
- ambpdb Vlad Cojocaru (Thu Dec 12 2002 - 14:01:23 PST)
- Re: ambpdb Holger Gohlke (Thu Dec 12 2002 - 16:44:44 PST)
- Business Cooperation (Inheritance Claim) Mr. Daniel Osondu (Fri Dec 13 2002 - 01:50:38 PST)
- GIBBS - end-of-file during read Miguel de Federico (Fri Dec 13 2002 - 02:12:48 PST)
- plotting electrostatic potential surface Ioana Cozmuta (Fri Dec 13 2002 - 15:18:17 PST)
- Re: ambpdb David A. Case (Fri Dec 13 2002 - 20:46:12 PST)
- solvating a protein with large cavity Tom Bishop (Sat Dec 14 2002 - 07:42:38 PST)
- Re: solvating a protein with large cavity M. L. Dodson (Sat Dec 14 2002 - 08:23:15 PST)
- FEP/Gibbs question to valine alanine tutorial meiselba (Sat Dec 14 2002 - 08:58:12 PST)
- Amber 7 MM-PBSA for Amber 6 trajectories Qing Zhang (Thu Dec 12 2002 - 11:52:23 PST)
- MM-PBSA: .crg file for Delphi Thomas Steinbrecher (Wed Dec 11 2002 - 10:08:40 PST)
- Re: MM-PBSA: .crg file for Delphi Holger Gohlke (Wed Dec 11 2002 - 10:31:07 PST)
- Question on 2 stage RESP fit Ambarish Nag (Wed Dec 11 2002 - 22:39:08 PST)
- Re: Question on 2 stage RESP fit M. L. Dodson (Thu Dec 12 2002 - 05:05:15 PST)
- Business Cooperation (Inheritance Claim) Mr. Daniel Osondu (Thu Dec 12 2002 - 10:10:29 PST)
- disulfide bond link between two chains pu xuemei (Mon Dec 16 2002 - 04:50:35 PST)
- Re: disulfide bond link between two chains Natasja Brooijmans (Mon Dec 16 2002 - 05:49:46 PST)
- Fw: Valine to alanine Gibbs tutorial Lepsa (Mon Dec 16 2002 - 05:20:26 PST)
- Re: Resp Multiconformational charge fitting! Pascal Bonnet (Wed Dec 18 2002 - 02:21:46 PST)
- atomicfluct in ptraj Kristina Furse (Wed Dec 18 2002 - 15:16:29 PST)
- Re: atomicfluct in ptraj David A. Case (Thu Dec 19 2002 - 09:28:43 PST)
- RE: atomicfluct in ptraj Kristina Furse (Thu Dec 19 2002 - 11:28:16 PST)
- RESTARTED DUE TO LINMIN FAILURE William Wei (Thu Dec 19 2002 - 11:33:07 PST)
- Re: RESTARTED DUE TO LINMIN FAILURE Natasja Brooijmans (Thu Dec 19 2002 - 13:16:44 PST)
- Nmode Pratul Agarwal (Thu Dec 19 2002 - 13:07:47 PST)
- Re: Nmode James Caldwell (Thu Dec 19 2002 - 13:17:31 PST)
- new on the Amber web pages... David A. Case (Tue Dec 31 2002 - 13:51:31 PST)
- Last message date: Tue Dec 31 2002 - 13:51:31 PST
- Archived on: Mon Jan 05 2009 - 06:06:00 PST
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