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AMBER Archive (2002) - Nov 2002 By Thread
Most recent messages238 messages sorted by: [ author ] [ date ] [ subject ]
About this archive
Starting: Fri Nov 01 2002 - 03:08:20 CST
Ending: Fri Nov 29 2002 - 15:06:36 CST
- flag TREE_CHAIN_CLASSIFICATION in topology file from amber7 Pascal Bonnet (Fri Nov 01 2002 - 03:08:20 CST)
- molsurf reference Giulio Rastelli (Fri Nov 01 2002 - 06:17:35 CST)
- problem about cut and cap sxzheng (Sun Nov 03 2002 - 06:40:25 CST)
- periodic box Craig A Bayse (Mon Nov 04 2002 - 10:49:53 CST)
- P4_GLOBMEMSIZE problem Jean-Christophe Ducom (Mon Nov 04 2002 - 11:33:19 CST)
- Visualizing AMBER coordinates trajectory in VMD Pratul Agarwal (Mon Nov 04 2002 - 14:54:57 CST)
- restart Ioana Cozmuta (Mon Nov 04 2002 - 14:57:16 CST)
- RUNMIN hung_at_atc.atccu.chula.ac.th (Mon Nov 04 2002 - 19:04:23 CST)
- procheck hung_at_atc.atccu.chula.ac.th (Tue Nov 05 2002 - 00:53:56 CST)
- pseudoatoms and NMR restraints david (Tue Nov 05 2002 - 03:46:42 CST)
- Snapshot stuff Layi Adekoya (Tue Nov 05 2002 - 08:32:11 CST)
- Re: equilibrium problem about cut and belly David A. Case (Tue Nov 05 2002 - 10:14:51 CST)
- entropy calcs in mm_pbsa giulio_at_unimo.it (Tue Nov 05 2002 - 14:21:00 CST)
- torsion restraints in GIBBS Jose Ramon Blas (Tue Nov 05 2002 - 18:35:44 CST)
- amber on RH8 chernhoe (Wed Nov 06 2002 - 01:23:18 CST)
- Bugfixes William Wei (Wed Nov 06 2002 - 03:50:35 CST)
- average and runningaverage in ptraj Vlad Cojocaru (Wed Nov 06 2002 - 09:40:51 CST)
- time-averaged restraint developer Jake Isaacs (Wed Nov 06 2002 - 16:20:11 CST)
- restrt format problem Marcela Madrid (Wed Nov 06 2002 - 16:48:02 CST)
- nbflag Ioana Cozmuta (Wed Nov 06 2002 - 21:19:26 CST)
- nbflag Ioana Cozmuta (Wed Nov 06 2002 - 21:45:02 CST)
- surface Ioana Cozmuta (Thu Nov 07 2002 - 15:03:56 CST)
- averaging with ptraj and carnal Vlad Cojocaru (Fri Nov 08 2002 - 06:31:03 CST)
- ramdomized start velocities Arvid Soederhaell (Fri Nov 08 2002 - 06:35:23 CST)
- Sander: check COM velocity, temp: 0.000000 0.00(Removed) Miguel de Federico de la Rúa (Fri Nov 08 2002 - 08:08:38 CST)
- more about averaging Vlad Cojocaru (Fri Nov 08 2002 - 08:12:00 CST)
- residue cross-correlation Bimo Ario Tejo (Fri Nov 08 2002 - 09:00:01 CST)
- Roar capabilities M. L. Dodson (Fri Nov 08 2002 - 11:37:48 CST)
- residue cross-correlation Bimo Ario Tejo (Fri Nov 08 2002 - 12:57:48 CST)
- Problem in run Monica (Fri Nov 08 2002 - 22:41:52 CST)
- MEP g98_option FyD (Sat Nov 09 2002 - 00:35:22 CST)
- Forwarded mail.... Narang Manpreet Kaur (Sat Nov 09 2002 - 03:56:37 CST)
- drifting from average structure Vlad Cojocaru (Sat Nov 09 2002 - 10:17:38 CST)
- carnal7 produces memory fault and a core Giulio Rastelli (Sat Nov 09 2002 - 10:21:10 CST)
- belly and EWALD in amber7 Zhang Jian (Sat Nov 09 2002 - 21:04:14 CST)
- Re: belly and ivcap conflict in gibbs David A. Case (Sun Nov 10 2002 - 16:35:16 CST)
- .top files read into xLeap? Arvid Soederhaell (Mon Nov 11 2002 - 04:24:00 CST)
- nonpeoridic boundary + mm/gbsa Yongjun Jiang (Mon Nov 11 2002 - 06:49:03 CST)
- saveAmberParm of leap Sichun Yang (Mon Nov 11 2002 - 13:27:16 CST)
- problem in PME Monica (Tue Nov 12 2002 - 07:42:21 CST)
- re: the removal of global motion Shixiang Yan (Tue Nov 12 2002 - 10:44:38 CST)
- NMR restraints on a 10-mer DNA in Sander Jo.Vinje_at_kj.uib.no (Tue Nov 12 2002 - 11:34:55 CST)
- Amber7/CYGWIN compiling James W. Caldwell (Tue Nov 12 2002 - 15:09:33 CST)
- help! Non bond list overflow! Zhang Jian (Wed Nov 13 2002 - 04:56:39 CST)
- help on VMD movie Zhang Jian (Wed Nov 13 2002 - 06:44:36 CST)
- Ewald Monica (Wed Nov 13 2002 - 09:20:23 CST)
- CMM method Ioana Cozmuta (Wed Nov 13 2002 - 16:57:10 CST)
- input format for gibbs restraints Jose Ramon Blas (Wed Nov 13 2002 - 20:59:43 CST)
- (no subject) Monica (Thu Nov 14 2002 - 00:26:57 CST)
- restart mm_pbsa Layi Adekoya (Thu Nov 14 2002 - 07:02:51 CST)
- Amber on PC-Linux Philippe Aplincourt (Thu Nov 14 2002 - 09:22:20 CST)
- error in reading .crd file with GIBBS hagop demirdjian (Thu Nov 14 2002 - 09:40:32 CST)
- Linmin question... Andrei Leitão (Thu Nov 14 2002 - 12:10:21 CST)
- Linmin question... Andrei Leitão (Thu Nov 14 2002 - 12:13:01 CST)
- Amber Perl module Tod Pascal (Thu Nov 14 2002 - 15:33:01 CST)
- simulating dna Tod Pascal (Fri Nov 15 2002 - 19:23:54 CST)
- polarizabitlity X. Tan (Fri Nov 15 2002 - 19:41:37 CST)
- Conterions Monica (Sat Nov 16 2002 - 02:10:15 CST)
- (no subject) Narang Manpreet Kaur (Sat Nov 16 2002 - 04:17:02 CST)
- Are posters to the Amber list being spammed? Nicholson, James D Mr ARO (Sun Nov 17 2002 - 19:48:15 CST)
- choose dt in gibbs sxzheng (Sun Nov 17 2002 - 21:06:34 CST)
- NATOM mismatch in coord and topology files. Narang Manpreet Kaur (Mon Nov 18 2002 - 00:49:46 CST)
- creating a pdb trajectory with carnal Vlad Cojocaru (Mon Nov 18 2002 - 09:29:21 CST)
- makeDIST_RST? Sichun Yang (Mon Nov 18 2002 - 17:44:09 CST)
- Re: EWALD crash David A. Case (Mon Nov 18 2002 - 18:27:37 CST)
- defining groups on dif. sets in carnal Vlad Cojocaru (Tue Nov 19 2002 - 04:59:06 CST)
- limit of RMSD value Bimo Ario Tejo (Tue Nov 19 2002 - 07:57:40 CST)
- FEP/Gibbs question meiselba (Tue Nov 19 2002 - 09:29:07 CST)
- GIBBS - Error message. Miguel de Federico (Tue Nov 19 2002 - 10:00:25 CST)
- Frictional forces in gB Kristina Furse (Tue Nov 19 2002 - 17:41:32 CST)
- Nz-Acetyllysine parameters Luis Gracia (Tue Nov 19 2002 - 18:08:13 CST)
- intdiel & extdiel Fredrick Robin Devadoss (Wed Nov 20 2002 - 05:23:59 CST)
- Bulk Email Sending & Bullet Proof Web Hosting pposton (Wed Nov 20 2002 - 16:25:53 CST)
- P.3 in antechamber Giulio Rastelli (Thu Nov 21 2002 - 05:02:16 CST)
- PARMSET sara nunez (Thu Nov 21 2002 - 08:08:12 CST)
- ion distances Marcela Madrid (Thu Nov 21 2002 - 14:59:12 CST)
- targeted MD for more than 2 groups Sichun Yang (Thu Nov 21 2002 - 15:20:44 CST)
- Restraint Ambiguities Neema Salimi (Thu Nov 21 2002 - 16:56:44 CST)
- Error running AMBER6 on Beowulf cluster arubin_at_unmc.edu (Thu Nov 21 2002 - 17:10:39 CST)
- Equilibration output Amber7 Fredrick Robin Devadoss (Fri Nov 22 2002 - 03:42:32 CST)
- problem in restrt Marcela Madrid (Fri Nov 22 2002 - 10:37:53 CST)
- restarting simulation Marcela Madrid (Fri Nov 22 2002 - 14:06:42 CST)
- solvateOct Kristina Furse (Fri Nov 22 2002 - 15:36:33 CST)
- leap for peptide Sichun Yang (Fri Nov 22 2002 - 16:33:51 CST)
- ntx=7, irest=0 Marcela Madrid (Fri Nov 22 2002 - 17:56:00 CST)
- pdb file Ioana Cozmuta (Fri Nov 22 2002 - 18:41:01 CST)
- (no subject) Narang Manpreet Kaur (Sat Nov 23 2002 - 04:40:12 CST)
- Calculating atomic charges for AMBER with Gaussian98W Thomas Steinbrecher (Sat Nov 23 2002 - 07:52:47 CST)
- Hydrophobic protein in water Luo Liu (Sun Nov 24 2002 - 16:52:20 CST)
- atom type not recognized by GB eric hu (Sun Nov 24 2002 - 19:05:59 CST)
- Re: atom type not recognized by GB David A. Case (Sun Nov 24 2002 - 19:50:01 CST)
- Re: atom type not recognized by GB eric hu (Sun Nov 24 2002 - 20:30:17 CST)
- Please help. Energy suddenly increase. Protein jump out Lich Nguyen (Wed Nov 27 2002 - 01:42:29 CST)
- Re: Please help. Energy suddenly increase. Protein jump out David A. Case (Wed Nov 27 2002 - 10:26:55 CST)
- RE: Please help. Energy suddenly increase. Protein jump out Yong Duan (Wed Nov 27 2002 - 12:42:39 CST)
- Re: Please help. Energy suddenly increase. Protein jump out Carlos Simmerling (Wed Nov 27 2002 - 15:35:15 CST)
- RE: Please help. Energy suddenly increase. Protein jump out Yong Duan (Wed Nov 27 2002 - 16:52:54 CST)
- Re: atom type not recognized by GB David A. Case (Sun Nov 24 2002 - 19:50:01 CST)
- Inquiry software_at_kagaku.com (Sun Nov 24 2002 - 21:44:51 CST)
- (no subject) CHAUMONT Alain (Mon Nov 25 2002 - 09:32:50 CST)
- using SHAKE for solvent only hagop demirdjian (Mon Nov 25 2002 - 09:42:57 CST)
- external electric field Ioana Cozmuta (Mon Nov 25 2002 - 17:18:38 CST)
- a second question Ioana Cozmuta (Mon Nov 25 2002 - 18:20:52 CST)
- GIBBS - ERROR: Restraint read error from RSTIN; Check format: Miguel de Federico (Tue Nov 26 2002 - 03:14:19 CST)
- Error in Equilibration Fredrick Robin Devadoss (Tue Nov 26 2002 - 04:14:12 CST)
- restrain a residue as center of mass eric hu (Tue Nov 26 2002 - 17:36:19 CST)
- the tree name? Sichun Yang (Tue Nov 26 2002 - 21:29:27 CST)
- How Amber calculates electrostatic energy? Daniel Svozil (Wed Nov 27 2002 - 08:47:11 CST)
- esp.sh problem FyD (Wed Nov 27 2002 - 11:17:40 CST)
- external electric field/another try Ioana Cozmuta (Wed Nov 27 2002 - 16:13:08 CST)
- C60 parameter vannajan_at_chiangmai.ac.th (Thu Nov 28 2002 - 02:47:47 CST)
- Problem Monica (Fri Nov 29 2002 - 00:35:19 CST)
- parmchk -p option Thomas.Fox_at_bc.boehringer-ingelheim.com (Fri Nov 29 2002 - 04:09:09 CST)
- parameters for cyclic nucleotides Thomas.Fox_at_bc.boehringer-ingelheim.com (Fri Nov 29 2002 - 04:11:43 CST)
- (no subject) Narang Manpreet Kaur (Fri Nov 29 2002 - 04:54:03 CST)
- Break down energy contributions Numan Oezguen (Fri Nov 29 2002 - 15:06:36 CST)
Last message date: Tue Dec 31 2002 - 15:51:31 CST
Archived on: Thu May 05 2005 - 14:17:27 CDT
238 messages sorted by: [ author ] [ date ] [ subject ]
About this archive
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