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AMBER Archive (2003) - By Thread
Most recent messages2933 messages sorted by: [ author ] [ date ] [ subject ]
About this archive
Starting: Thu Jan 02 2003 - 04:37:41 CST
Ending: Fri Feb 06 2004 - 10:15:04 CST
- TFE input Raja Swaminathan (Thu Jan 02 2003 - 04:37:41 CST)
- Sander box error and thanks on previous mdin error kxg2248_at_njit.edu (Thu Jan 02 2003 - 21:41:49 CST)
- JACS 125th and PAK Carlos Simmerling (Fri Jan 03 2003 - 11:02:12 CST)
- Linux cluster Amber7 sander mpi error -- Null communicator, IOT Trap Chris Switzer (Fri Jan 03 2003 - 21:18:11 CST)
- Re: Linux cluster Amber7 sander mpi error -- Null communicator, IOT Trap David Case (Fri Jan 03 2003 - 23:46:00 CST)
- Re: Linux cluster Amber7 sander mpi error -- Null communicator, IOT Trap Florian Barth (Sat Jan 04 2003 - 00:36:27 CST)
- Re: Linux cluster Amber7 sander mpi error -- Null communicator, IOT Trap Jim Newhouse (Tue Jan 07 2003 - 13:07:32 CST)
- looking for 'pdb_to_mass' yuann (Tue Jan 07 2003 - 00:54:32 CST)
- water reordering in sander Michael Trieb (Tue Jan 07 2003 - 07:43:38 CST)
- Small organic molecules Dvira Segal (Tue Jan 07 2003 - 09:55:31 CST)
- reducing restrains Luis Gracia (Tue Jan 07 2003 - 10:14:43 CST)
- virtual box eric hu (Tue Jan 07 2003 - 17:26:15 CST)
- mm_pbsa question wentaofu (Tue Jan 07 2003 - 18:17:08 CST)
- the unit of velocity Jian Zhang (Tue Jan 07 2003 - 22:36:58 CST)
- nmanal & quasih question yuann (Wed Jan 08 2003 - 01:16:56 CST)
- building molecules by script files for leap Dvira Segal (Wed Jan 08 2003 - 10:07:57 CST)
- mm_gbsa error message Mahadevan Seetharaman (Wed Jan 08 2003 - 12:17:23 CST)
- Predefined Water_cap with xleap Jose Ramon Blas (Wed Jan 08 2003 - 12:42:16 CST)
- Amber parameters for Netropsin Manuel Rueda (Wed Jan 08 2003 - 17:48:12 CST)
- GIBBS - Routine TORCON failed. Required change is too large. Miguel de Federico (Thu Jan 09 2003 - 04:11:41 CST)
- free energy perturbation (Gibbs/Amber 5)? meiselba (Thu Jan 09 2003 - 10:49:09 CST)
- MM_pbsa prmtop file wentaofu (Thu Jan 09 2003 - 17:29:38 CST)
- xleap crashes Layi Adekoya (Fri Jan 10 2003 - 06:16:26 CST)
- IDSX0 in free energy calculations Lepsa (Fri Jan 10 2003 - 07:29:04 CST)
- (no subject) amkumar_at_post.its.mcw.edu (Fri Jan 10 2003 - 11:35:12 CST)
- errors in MD trajectories Vlad Cojocaru (Fri Jan 10 2003 - 12:13:03 CST)
- pdb_to_mass Jake Isaacs (Fri Jan 10 2003 - 14:42:35 CST)
- Force Fields Colin Connelly (Fri Jan 10 2003 - 23:44:35 CST)
- electrostatic potential calculations Vlad Cojocaru (Sat Jan 11 2003 - 10:05:07 CST)
- Dummy atoms in free energy calculation Lepsa (Sat Jan 11 2003 - 12:18:44 CST)
- problem with antechamber Craig A Bayse (Sun Jan 12 2003 - 12:54:05 CST)
- xleap crashes Layi Adekoya (Mon Jan 13 2003 - 01:54:20 CST)
- coordinates for quasih Jake Isaacs (Mon Jan 13 2003 - 08:43:54 CST)
- mm_pbsa -- COMPT must be specified (correctly) William Wei (Mon Jan 13 2003 - 12:00:10 CST)
- xleap crashes Layi Adekoya (Tue Jan 14 2003 - 02:46:49 CST)
- chloroform, dichlormethane f.f. Arvid Soederhaell (Tue Jan 14 2003 - 04:24:33 CST)
- MEAD on SuSE 8.1 Vlad Cojocaru (Tue Jan 14 2003 - 09:10:18 CST)
- Summary: mm_pbsa -- COMPT must be specified (correctly) William Wei (Tue Jan 14 2003 - 09:31:07 CST)
- mm_gbsa: Unit 5 Error on OPEN: sander_com.in William Wei (Tue Jan 14 2003 - 11:19:36 CST)
- Moil-view Ling Zhang (Tue Jan 14 2003 - 11:47:14 CST)
- how to stop mapping of N- and C-terminal residues in xleap Michael Ford (Tue Jan 14 2003 - 13:37:27 CST)
- solvatecap GUILLERMINA L ESTIU (Tue Jan 14 2003 - 14:33:16 CST)
- nscm Kristina Furse (Tue Jan 14 2003 - 18:21:52 CST)
- compiling amber: Machine file for new 64 bit HP-Itanium II CPU Ying-Chieh Sun (Tue Jan 14 2003 - 19:40:40 CST)
- solvatecap GUILLERMINA L ESTIU (Wed Jan 15 2003 - 08:48:05 CST)
- Re: how to stop mapping of N- and C-terminal residues in xleap (The RTFM solution) Michael Ford (Wed Jan 15 2003 - 12:02:52 CST)
- mail reflector caldwell_at_heimdal.compchem.ucsf.edu (Thu Jan 16 2003 - 15:07:10 CST)
- solvent free energy, GB Robert G. Endres (Thu Jan 16 2003 - 15:33:36 CST)
- terminal phosphate group in RNA Mahadevan Seetharaman (Thu Jan 16 2003 - 16:10:13 CST)
- Polarization charges -geometry Lepsa (Fri Jan 17 2003 - 02:21:30 CST)
- octahedral volume Peter Varnai (Fri Jan 17 2003 - 04:26:58 CST)
- mm_pbsa Stop at statistics William Wei (Fri Jan 17 2003 - 12:52:48 CST)
- UCSF Network changes to affect Amber Web site. caldwell_at_heimdal.compchem.ucsf.edu (Fri Jan 17 2003 - 13:41:19 CST)
- nucleic acid structures Ioana Cozmuta (Fri Jan 17 2003 - 19:12:35 CST)
- Bug found in sander - incorrect conversion factor causes randomized velocities to be too cold John D. Chodera (Sat Jan 18 2003 - 03:26:12 CST)
- High temperature MD A.Madhumalar (Sun Jan 19 2003 - 10:02:41 CST)
- equilibrated solvent box pu xuemei (Mon Jan 20 2003 - 02:54:33 CST)
- equilibrated solvent box pu xuemei (Mon Jan 20 2003 - 02:55:26 CST)
- Has anyone ever used MEAD? Vlad Cojocaru (Mon Jan 20 2003 - 07:58:30 CST)
- CARNAL Lepsa (Mon Jan 20 2003 - 09:22:22 CST)
- Ewald error Miguel de Federico (Mon Jan 20 2003 - 09:32:21 CST)
- morse potential hagop demirdjian (Mon Jan 20 2003 - 10:22:03 CST)
- script for Potential/kinectic energy Layi Adekoya (Mon Jan 20 2003 - 10:30:09 CST)
- scripts for compiling UHBD/MEAD with amber 7.0 eric hu (Mon Jan 20 2003 - 11:54:37 CST)
- SASA and H-bond over trajectories Bimo Ario Tejo (Mon Jan 20 2003 - 22:59:12 CST)
- Amber tutorial crown-ether Dvira Segal (Tue Jan 21 2003 - 08:06:55 CST)
- (no subject) Anke Eisenmann (Tue Jan 21 2003 - 08:07:25 CST)
- 'hot-solvent' and 'cold solute' problem Stefan Jungblut (Tue Jan 21 2003 - 09:36:37 CST)
- shake and H-O-H angle Luis Gracia (Tue Jan 21 2003 - 10:57:16 CST)
- Probelm with the generation of topology file Jash, Panchatapa (Tue Jan 21 2003 - 12:01:45 CST)
- reduce the disk space eric hu (Tue Jan 21 2003 - 12:48:14 CST)
- average structure generated by carnal eric hu (Tue Jan 21 2003 - 12:53:49 CST)