Amber Archive Feb 2004: by subject

AMBER:
- John (Tue Feb 17 2004 - 02:05:22 PST)
AMBER: (no subject)
- ThuZar Lwin (Tue Feb 17 2004 - 13:33:30 PST)
- Bill Ross (Tue Feb 17 2004 - 13:17:39 PST)
- ThuZar Lwin (Tue Feb 17 2004 - 12:52:40 PST)
AMBER: A general question
- aini.UMDNJ.EDU (Tue Feb 03 2004 - 17:39:44 PST)
- Carlos Simmerling (Tue Feb 03 2004 - 16:13:09 PST)
- aini.UMDNJ.EDU (Tue Feb 03 2004 - 15:49:06 PST)
AMBER: add Na+
- Bill Ross (Wed Feb 25 2004 - 10:31:43 PST)
- L Jin (Wed Feb 25 2004 - 02:33:02 PST)
- David A. Case (Tue Feb 24 2004 - 11:35:06 PST)
- Bill Ross (Tue Feb 24 2004 - 11:33:34 PST)
- L Jin (Tue Feb 24 2004 - 11:29:36 PST)
- Bill Ross (Tue Feb 24 2004 - 11:07:07 PST)
- Ross Walker (Tue Feb 24 2004 - 10:42:28 PST)
- L Jin (Tue Feb 24 2004 - 10:23:55 PST)
AMBER: adding ions to nucleic acids
- Dr. Yong Duan (Tue Feb 10 2004 - 21:54:58 PST)
- Bill Ross (Sun Feb 08 2004 - 11:40:50 PST)
- Vlad Cojocaru (Sun Feb 08 2004 - 04:25:55 PST)
- a b (Sun Feb 08 2004 - 02:47:19 PST)
AMBER: Aldo's PMEMD bug
- aldo jongejan (Mon Feb 09 2004 - 07:44:39 PST)
- Robert Duke (Mon Feb 09 2004 - 05:53:43 PST)
AMBER: Amber on Redhat Enterprise
- Mingfeng Yang (Tue Feb 03 2004 - 10:23:44 PST)
AMBER: ANAL problem.
- David A. Case (Mon Feb 02 2004 - 10:51:02 PST)
AMBER: antechamber + FAILED TO ACHIEVE SCF
- David A. Case (Mon Feb 09 2004 - 14:17:49 PST)
- Carsten Detering (Mon Feb 09 2004 - 14:02:10 PST)
- Junmei Wang (Mon Feb 09 2004 - 11:27:02 PST)
- Carsten Detering (Mon Feb 09 2004 - 11:17:41 PST)
AMBER: antechamber + mopac + MAXIMUM NUMBER OF ATOMIC ORBITALS EXCEEDED
- David A. Case (Sat Feb 07 2004 - 08:33:48 PST)
- Carsten Detering (Fri Feb 06 2004 - 17:50:46 PST)
AMBER: antechamber + mopac +scf failed
- Carsten Detering (Fri Feb 06 2004 - 16:11:22 PST)
AMBER: antechamber + mopac error
- David A. Case (Thu Feb 05 2004 - 09:21:11 PST)
- Meg McCarrick (Thu Feb 05 2004 - 09:12:42 PST)
- Carsten Detering (Wed Feb 04 2004 - 18:57:48 PST)
AMBER: antechamber error
- Fang, Jianwen (Mon Feb 09 2004 - 10:00:28 PST)
- Carsten Detering (Mon Feb 09 2004 - 09:38:41 PST)
- David A. Case (Mon Feb 09 2004 - 08:22:07 PST)
- jwfang (Mon Feb 09 2004 - 07:50:17 PST)
AMBER: antechamber error in test / differences in prmtop files
- David A. Case (Thu Feb 05 2004 - 13:11:53 PST)
- Carsten Detering (Thu Feb 05 2004 - 12:07:07 PST)
AMBER: atom type for GBSA
- David A. Case (Wed Feb 11 2004 - 09:33:04 PST)
- aini.UMDNJ.EDU (Wed Feb 11 2004 - 07:13:04 PST)
AMBER: averaged structure with unknown elements
- David A. Case (Wed Feb 25 2004 - 14:15:25 PST)
- Bill Ross (Wed Feb 25 2004 - 13:49:40 PST)
- Youyi Peng (Wed Feb 25 2004 - 13:32:54 PST)
AMBER: bad crd file
- Bill Ross (Mon Feb 16 2004 - 10:51:57 PST)
- John (Mon Feb 16 2004 - 07:30:26 PST)
AMBER: Box of mixed solvant
- Dr. Yong Duan (Tue Feb 10 2004 - 22:09:28 PST)
- FyD (Tue Feb 10 2004 - 20:18:42 PST)
AMBER: Build a H+ ion in Leap?
- Bill Ross (Thu Feb 19 2004 - 13:22:08 PST)
- xinchen (Thu Feb 19 2004 - 12:19:20 PST)
- Bill Ross (Thu Feb 19 2004 - 12:00:38 PST)
- Xin Chen (Thu Feb 19 2004 - 11:40:40 PST)
AMBER: Can anybody help me with CHARMM
- Tru Huynh (Wed Feb 25 2004 - 05:36:18 PST)
- Piotr Cieplak (Sun Feb 22 2004 - 19:49:21 PST)
- Gabbar Daaku (Sun Feb 22 2004 - 19:13:09 PST)
AMBER: Can you write me how can I add the ACE and NMe groups in the Xleap?
- Małgorzata Jarończyk (Tue Feb 24 2004 - 06:59:46 PST)
AMBER: carnal
- Bill Ross (Tue Feb 24 2004 - 09:49:16 PST)
- Youyi Peng (Tue Feb 24 2004 - 08:36:11 PST)
- Bill Ross (Mon Feb 16 2004 - 10:37:54 PST)
- Julien Pecher (Mon Feb 16 2004 - 05:17:33 PST)
- Bill Ross (Wed Feb 04 2004 - 11:40:31 PST)
- Herbert Georg (Wed Feb 04 2004 - 11:18:37 PST)
- Herbert Georg (Tue Feb 03 2004 - 11:30:33 PST)
- Bill Ross (Tue Feb 03 2004 - 10:14:02 PST)
- Herbert Georg (Tue Feb 03 2004 - 08:11:28 PST)
AMBER: cell dimensions
- David A. Case (Thu Feb 05 2004 - 10:00:41 PST)
- Dave S Walker (Mon Feb 02 2004 - 13:46:54 PST)
AMBER: center of mass in CARNAL
- Bill Ross (Tue Feb 17 2004 - 12:25:43 PST)
- Herbert Georg (Thu Feb 12 2004 - 08:15:17 PST)
AMBER: check unit + saveamberparm
- S. Frank Yan (Fri Feb 20 2004 - 16:17:41 PST)
- Carsten Detering (Wed Feb 18 2004 - 18:21:58 PST)
AMBER: Close contact warnings
- Bill Ross (Thu Feb 19 2004 - 11:25:33 PST)
- David A. Case (Thu Feb 19 2004 - 08:30:15 PST)
- L Jin (Thu Feb 19 2004 - 07:11:54 PST)
- David A. Case (Wed Feb 18 2004 - 11:34:24 PST)
- Bill Ross (Wed Feb 18 2004 - 11:29:19 PST)
- Yong Duan (Wed Feb 18 2004 - 11:07:36 PST)
- L Jin (Wed Feb 18 2004 - 10:56:49 PST)
- Bill Ross (Wed Feb 18 2004 - 10:20:38 PST)
- L Jin (Wed Feb 18 2004 - 08:55:55 PST)
- Michael George Lerner (Wed Feb 18 2004 - 05:58:50 PST)
- L Jin (Wed Feb 18 2004 - 02:14:55 PST)
- David A. Case (Tue Feb 17 2004 - 10:37:06 PST)
- L Jin (Tue Feb 17 2004 - 10:14:37 PST)
- David A. Case (Tue Feb 17 2004 - 08:39:22 PST)
- L Jin (Tue Feb 17 2004 - 06:29:57 PST)
AMBER: compiling software(RESP) on MAC G5
- Lifeng Tian.PantherServer (Thu Feb 19 2004 - 12:41:05 PST)
- David A. Case (Thu Feb 19 2004 - 12:21:39 PST)
- James W. Caldwell (Thu Feb 19 2004 - 10:50:28 PST)
- FyD (Thu Feb 19 2004 - 08:27:54 PST)
- Scott Brozell (Wed Feb 18 2004 - 21:36:06 PST)
AMBER: contributed parameters
- FyD (Fri Feb 20 2004 - 16:05:48 PST)
- Shau Grossman (Fri Feb 20 2004 - 13:46:04 PST)
- FyD (Fri Feb 20 2004 - 09:08:34 PST)
- Shau Grossman (Thu Feb 19 2004 - 18:55:46 PST)
- FyD (Wed Feb 18 2004 - 09:12:04 PST)
AMBER: contributed parameters (modified base - PSU)
- S. Frank Yan (Tue Feb 17 2004 - 18:32:56 PST)
- Shau Grossman (Tue Feb 17 2004 - 18:14:16 PST)
AMBER: convert restart to mdcrd?
- Teletchéa Stéphane (Mon Feb 02 2004 - 08:17:30 PST)
- Dr. Yong Duan (Mon Feb 02 2004 - 09:27:41 PST)
- Vlad Cojocaru (Mon Feb 02 2004 - 08:07:49 PST)
- Vlad Cojocaru (Mon Feb 02 2004 - 08:07:12 PST)
- Vlad Cojocaru (Mon Feb 02 2004 - 07:33:35 PST)
- Dr. Yong Duan (Mon Feb 02 2004 - 08:48:55 PST)
- Karin Schleinkofer (Mon Feb 02 2004 - 06:39:40 PST)
AMBER: Defining residues
- John Bushnell (Mon Feb 23 2004 - 15:39:46 PST)
- Bill Ross (Mon Feb 23 2004 - 14:39:48 PST)
- John Bushnell (Mon Feb 23 2004 - 14:19:48 PST)
- opitz.che.udel.edu (Mon Feb 23 2004 - 13:47:51 PST)
- opitz.che.udel.edu (Mon Feb 23 2004 - 13:35:44 PST)
- John Bushnell (Mon Feb 23 2004 - 12:44:44 PST)
- Bill Ross (Mon Feb 23 2004 - 12:14:46 PST)
- opitz.che.udel.edu (Mon Feb 23 2004 - 11:02:58 PST)
- Bill Ross (Mon Feb 23 2004 - 10:04:33 PST)
- David A. Case (Mon Feb 23 2004 - 08:49:58 PST)
- opitz.che.udel.edu (Sat Feb 21 2004 - 20:34:56 PST)
AMBER: DIELC
- L Jin (Mon Feb 16 2004 - 05:51:35 PST)
AMBER: dipole moment in ptraj
- Thomas E. Cheatham, III (Sun Feb 08 2004 - 15:00:55 PST)
- Herbert Georg (Sun Feb 08 2004 - 10:42:07 PST)
AMBER: distance-aromatic ring
- Bill Ross (Thu Feb 19 2004 - 11:41:32 PST)
- John (Thu Feb 19 2004 - 03:03:56 PST)
AMBER: DNA
- David A. Case (Mon Feb 02 2004 - 08:58:26 PST)
- Beale, John (Mon Feb 02 2004 - 05:31:51 PST)
AMBER: Errors when running tleap
- Bill Ross (Thu Feb 26 2004 - 11:47:05 PST)
- Ann P (Thu Feb 26 2004 - 11:21:03 PST)
- Bill Ross (Wed Feb 25 2004 - 13:31:54 PST)
- Ann P (Wed Feb 25 2004 - 13:13:53 PST)
AMBER: flexible water potential
- Herbert Georg (Tue Feb 17 2004 - 03:22:12 PST)
AMBER: GBSA frequency update
- David A. Case (Wed Feb 11 2004 - 22:09:34 PST)
- Sergio E. Wong (Wed Feb 11 2004 - 15:29:10 PST)
AMBER: GLYCAM web site
- Scott Brozell (Wed Feb 18 2004 - 12:00:39 PST)
AMBER: histidine and its various forms
- Peter Oelschlaeger (Wed Feb 18 2004 - 10:10:49 PST)
- David A. Case (Wed Feb 18 2004 - 07:58:44 PST)
- Stern, Julie (Wed Feb 18 2004 - 06:38:31 PST)
AMBER: How to add ACE and NME groups?
- Ben Cossins (Tue Feb 24 2004 - 08:47:43 PST)
- David A. Case (Mon Feb 23 2004 - 08:47:05 PST)
- Małgorzata Jarończyk (Mon Feb 23 2004 - 01:47:00 PST)
AMBER: how to add force field parameters
- Ioana Cozmuta (Thu Feb 19 2004 - 12:27:02 PST)
AMBER: How to add H+ ion in leap?
- Bill Ross (Tue Feb 17 2004 - 13:09:01 PST)
- xinchen (Tue Feb 17 2004 - 12:43:18 PST)
- Bill Ross (Tue Feb 17 2004 - 12:29:17 PST)
- xinchen (Tue Feb 17 2004 - 11:46:10 PST)
AMBER: How to remove Cl- ions
- Bill Ross (Fri Feb 06 2004 - 08:35:27 PST)
- Do Anh Tuan (Fri Feb 06 2004 - 05:24:10 PST)
- Wayne Dawson (Fri Feb 06 2004 - 03:19:33 PST)
- Vlad Cojocaru (Fri Feb 06 2004 - 03:09:52 PST)
- Itziar Maestre Asenjo (Fri Feb 06 2004 - 02:58:05 PST)
- Do Anh Tuan (Fri Feb 06 2004 - 02:38:41 PST)
AMBER: how to use prep file
- Bill Ross (Mon Feb 23 2004 - 12:30:37 PST)
- David A. Case (Mon Feb 23 2004 - 12:19:30 PST)
- Kristina Furse (Mon Feb 23 2004 - 12:14:20 PST)
- Fang, Jianwen (Mon Feb 23 2004 - 11:15:19 PST)
AMBER: IFC COMPILER
- Robert Duke (Mon Feb 16 2004 - 05:18:03 PST)
- Obdulia Rabal (Mon Feb 16 2004 - 04:54:00 PST)
AMBER: image in ptraj
- Lishan Yao (Mon Feb 16 2004 - 08:11:25 PST)
AMBER: Installing Amber on IBM AIX cluster
- Wayne Dawson (Mon Feb 02 2004 - 22:11:49 PST)
AMBER: Installing AMBER on SGI Octane 2-CPU - erfcfun.c compile prob.
- David A. Case (Tue Feb 10 2004 - 15:54:45 PST)
- Joseph E. Maxwell (Tue Feb 10 2004 - 15:36:26 PST)
AMBER: ions94.lib file
- Wen Li (Fri Feb 20 2004 - 09:10:06 PST)
AMBER: Lattice structures in xleap
- Bill Ross (Fri Feb 06 2004 - 14:21:12 PST)
- David A. Case (Fri Feb 06 2004 - 13:54:07 PST)
- Brandon Tefft (Fri Feb 06 2004 - 13:27:50 PST)
AMBER: LCPO parameters in gbsa
- David A. Case (Mon Feb 23 2004 - 10:51:46 PST)
- Giulio Rastelli (Thu Feb 19 2004 - 08:53:56 PST)
AMBER: leap - orientation of sequenced residues
- David A. Case (Tue Feb 03 2004 - 09:44:50 PST)
- Sarah Wittkopp (Mon Feb 02 2004 - 17:58:33 PST)
AMBER: LEaP- Error reading frcmod parameters.
- David A. Case (Mon Feb 02 2004 - 10:20:43 PST)
- Miguel de Federico (Mon Feb 02 2004 - 10:03:00 PST)
AMBER: LES
- Carlos Simmerling (Thu Feb 19 2004 - 14:13:07 PST)
- Petr Jeřábek (Thu Feb 19 2004 - 14:10:00 PST)
- Viktor Hornak (Thu Feb 19 2004 - 13:30:32 PST)
- Carlos Simmerling (Thu Feb 19 2004 - 13:11:58 PST)
- Petr Jeřábek (Thu Feb 19 2004 - 13:08:38 PST)
- Carlos Simmerling (Thu Feb 19 2004 - 12:26:21 PST)
- Petr Jeřábek (Thu Feb 19 2004 - 10:10:50 PST)
AMBER: LES methodology question
- Carlos Simmerling (Fri Feb 20 2004 - 05:01:06 PST)
- Vlad Cojocaru (Fri Feb 20 2004 - 04:12:14 PST)
AMBER: LES question
- Lishan Yao (Thu Feb 12 2004 - 05:59:02 PST)
- Carlos Simmerling (Wed Feb 11 2004 - 12:03:44 PST)
- Lishan Yao (Wed Feb 11 2004 - 11:52:09 PST)
- Carlos Simmerling (Wed Feb 11 2004 - 11:43:58 PST)
- Lishan Yao (Wed Feb 11 2004 - 11:20:54 PST)
- Carlos Simmerling (Wed Feb 11 2004 - 09:55:27 PST)
- Lishan Yao (Wed Feb 11 2004 - 06:16:01 PST)
- Carlos Simmerling (Wed Feb 11 2004 - 05:48:48 PST)
- xiaolin cheng (Tue Feb 10 2004 - 16:14:31 PST)
- Lishan Yao (Tue Feb 10 2004 - 13:02:18 PST)
- Vlad Cojocaru (Tue Feb 10 2004 - 13:01:12 PST)
- Lishan Yao (Tue Feb 10 2004 - 12:47:20 PST)
AMBER: MCSS
- David A. Case (Thu Feb 05 2004 - 23:12:47 PST)
- Chen, Ya (Thu Feb 05 2004 - 20:33:48 PST)
AMBER: MD simulations with 2 molecules
- David A. Case (Wed Feb 18 2004 - 14:15:04 PST)
- Joey Harriman (Wed Feb 18 2004 - 12:32:47 PST)
AMBER: minimizating complex-protein with AMBER
- David A. Case (Sun Feb 15 2004 - 21:14:02 PST)
- susan.costantini.unina2.it (Sun Feb 15 2004 - 01:27:00 PST)
AMBER: minimization output
- L Jin (Fri Feb 20 2004 - 02:36:35 PST)
- Anna Schrey (Fri Feb 20 2004 - 01:07:40 PST)
- L Jin (Fri Feb 13 2004 - 01:49:52 PST)
- David A. Case (Tue Feb 10 2004 - 13:05:59 PST)
- L Jin (Tue Feb 10 2004 - 08:36:25 PST)
AMBER: MM-PBSA: molecular charges and active site water
- ML (Thu Feb 12 2004 - 23:30:23 PST)
- David A. Case (Thu Feb 12 2004 - 20:06:56 PST)
- Anselm Horn (Thu Feb 12 2004 - 07:23:05 PST)
AMBER: MM-PBSA:??Decomposition of receptor energies??
- Holger Gohlke (Mon Feb 16 2004 - 23:24:25 PST)
- ML (Mon Feb 16 2004 - 07:59:04 PST)
- Holger Gohlke (Mon Feb 16 2004 - 02:09:07 PST)
- ML (Mon Feb 16 2004 - 01:18:17 PST)
AMBER: mm_pbsa question
- hj zou (Wed Feb 18 2004 - 19:22:00 PST)
AMBER: mmpbsa qustion
- James W. Caldwell (Thu Feb 26 2004 - 10:06:13 PST)
- Holger Gohlke (Wed Feb 25 2004 - 23:29:06 PST)
- hj zou (Wed Feb 25 2004 - 17:23:37 PST)
AMBER: moil-view question
- Teletchéa Stéphane (Tue Feb 17 2004 - 05:49:31 PST)
- Carlos Simmerling (Tue Feb 17 2004 - 05:38:59 PST)
- S. Frank Yan (Mon Feb 16 2004 - 18:43:57 PST)
AMBER: multiple messages on the amber reflector
- Amber Administration (Tue Feb 17 2004 - 14:27:52 PST)
- David A. Case (Mon Feb 16 2004 - 15:33:40 PST)
AMBER: neutrality of charge in AMBER 7
- David A. Case (Sat Feb 14 2004 - 12:10:22 PST)
- Sichun Yang (Thu Feb 12 2004 - 12:51:51 PST)
AMBER: Nitrogen vdw type
- Terry Downing (Tue Feb 10 2004 - 14:56:37 PST)
AMBER: Nmode convergence
- ML (Wed Feb 11 2004 - 00:14:31 PST)
- David A. Case (Tue Feb 10 2004 - 08:34:17 PST)
- ML (Tue Feb 10 2004 - 07:26:12 PST)
- ML (Mon Feb 09 2004 - 23:36:27 PST)
AMBER: NMODE for protein via MM-PBSA-cntd
- ML (Wed Feb 04 2004 - 09:18:12 PST)
- David A. Case (Wed Feb 04 2004 - 08:32:37 PST)
- ML (Wed Feb 04 2004 - 08:09:57 PST)
AMBER: NMR restraints-Floating point exception
- John (Wed Feb 25 2004 - 10:19:25 PST)
- David A. Case (Wed Feb 25 2004 - 08:17:46 PST)
- John (Wed Feb 25 2004 - 06:44:52 PST)
AMBER: nucleic acid bases nonplanar during LES sim
- Carlos Simmerling (Mon Feb 02 2004 - 13:56:00 PST)
- Vlad Cojocaru (Mon Feb 02 2004 - 13:17:09 PST)
AMBER: NVE&polarizable force field
- Byungchan Kim (Tue Feb 03 2004 - 09:54:55 PST)
- Martina Roeselova (Mon Feb 02 2004 - 09:33:17 PST)
AMBER: off-subject ROCKS/Qbank
- James W. Caldwell (Fri Feb 06 2004 - 12:03:09 PST)
AMBER: PB in mm-pbsa
- Holger Gohlke (Sun Feb 29 2004 - 06:02:29 PST)
- Sue Heavner (Sat Feb 28 2004 - 08:30:05 PST)
AMBER: PGA
- Beale, John (Wed Feb 25 2004 - 05:09:46 PST)
AMBER: pka calculation
- Florian Barth (Sat Feb 28 2004 - 07:46:04 PST)
- hj zou (Fri Feb 27 2004 - 18:42:34 PST)
- hj zou (Mon Feb 23 2004 - 05:33:00 PST)
AMBER: PMEMD and nmropt=1
- David A. Case (Thu Feb 05 2004 - 17:29:41 PST)
- Robert Duke (Thu Feb 05 2004 - 13:45:07 PST)
- Kristina Furse (Thu Feb 05 2004 - 13:19:52 PST)
- Robert Duke (Thu Feb 05 2004 - 04:39:58 PST)
- aldo jongejan (Thu Feb 05 2004 - 03:52:29 PST)
AMBER: pmf calculation using gibbs
- David Smith (Thu Feb 26 2004 - 00:57:02 PST)
- Myunggi Yi (Wed Feb 25 2004 - 08:47:25 PST)
AMBER: pmf calculation using gibbs.
- David A. Case (Thu Feb 19 2004 - 08:27:33 PST)
- Myunggi Yi (Thu Feb 19 2004 - 07:13:30 PST)
- David A. Case (Wed Feb 18 2004 - 20:45:57 PST)
- Myunggi Yi (Wed Feb 18 2004 - 21:22:46 PST)
AMBER: prep files for modified bases
- David A. Case (Thu Feb 19 2004 - 12:23:41 PST)
- Wen Li (Thu Feb 19 2004 - 08:58:01 PST)
AMBER: problem with frcmod file
- donna j (Sun Feb 29 2004 - 11:43:24 PST)
- James W. Caldwell (Thu Feb 26 2004 - 10:45:44 PST)
- donna j (Thu Feb 26 2004 - 10:23:25 PST)
- Bill Ross (Mon Feb 23 2004 - 14:44:08 PST)
- David A. Case (Mon Feb 23 2004 - 14:43:59 PST)
- donna j (Mon Feb 23 2004 - 13:47:12 PST)
AMBER: problem with tleap in Amber
- donna j (Sun Feb 15 2004 - 18:44:25 PST)
- donna j (Sun Feb 15 2004 - 19:01:27 PST)
- David A. Case (Sun Feb 15 2004 - 21:10:31 PST)
AMBER: Problems with xleap
- Javier Perez Miron (Thu Feb 26 2004 - 17:18:11 PST)
AMBER: protein - fractional native contacts
- uddhavesh bhaskar sonavane (Mon Feb 23 2004 - 03:50:06 PST)
AMBER: protonation
- Nikolai Smolin (Tue Feb 03 2004 - 01:50:23 PST)
AMBER: ptraj
- Thomas E. Cheatham, III (Thu Feb 12 2004 - 10:03:36 PST)
- Vlad Cojocaru (Thu Feb 12 2004 - 03:45:55 PST)
- Karin Schleinkofer (Thu Feb 12 2004 - 02:57:47 PST)
- Bill Ross (Thu Feb 05 2004 - 01:43:59 PST)
- Julien Pecher (Thu Feb 05 2004 - 00:46:09 PST)
AMBER: ptraj & LES
- Vlad Cojocaru (Mon Feb 02 2004 - 09:22:09 PST)
- Michael Trieb (Mon Feb 02 2004 - 09:11:08 PST)
- Vlad Cojocaru (Mon Feb 02 2004 - 08:46:08 PST)
AMBER: ptraj and dipoles
- Herbert Georg (Fri Feb 06 2004 - 03:47:12 PST)
- David A. Case (Thu Feb 05 2004 - 23:11:50 PST)
- Herbert Georg (Thu Feb 05 2004 - 13:40:24 PST)
AMBER: ptraj and dipoles....
- Herbert Georg (Fri Feb 06 2004 - 13:12:10 PST)
AMBER: question about the average structure from ptraj
- Thomas E. Cheatham, III (Sun Feb 08 2004 - 11:49:23 PST)
- Bill Ross (Sun Feb 08 2004 - 11:47:11 PST)
- aini.UMDNJ.EDU (Sun Feb 08 2004 - 11:33:23 PST)
AMBER: questions parm94/99 ff secondary structure
- Carlos Simmerling (Fri Feb 06 2004 - 04:58:45 PST)
- Wayne Dawson (Thu Feb 05 2004 - 23:50:07 PST)
AMBER: R.E.D.
- FyD (Tue Feb 24 2004 - 08:16:57 PST)
- Shau Grossman (Mon Feb 23 2004 - 18:13:43 PST)
- FyD (Mon Feb 23 2004 - 17:42:13 PST)
- Shau Grossman (Mon Feb 23 2004 - 17:20:44 PST)
AMBER: RESP charges for protein fragment
- Tom Turner (Tue Feb 17 2004 - 08:20:15 PST)
AMBER: rstdip
- Scott Brozell (Wed Feb 04 2004 - 10:19:45 PST)
- Martina Roeselova (Wed Feb 04 2004 - 09:57:18 PST)
AMBER: Run calculations for protein in Amber
- Carlos Simmerling (Thu Feb 12 2004 - 05:18:32 PST)
- Małgorzata Jarończyk (Thu Feb 12 2004 - 01:18:20 PST)
AMBER: Run calculations for protein in Amber-distance dependent dielectric function
- David A. Case (Thu Feb 12 2004 - 08:41:16 PST)
- Vlad Cojocaru (Thu Feb 12 2004 - 06:34:31 PST)
- Małgorzata Jarończyk (Thu Feb 12 2004 - 06:28:59 PST)
AMBER: sander + ewald bomb
- David A. Case (Wed Feb 18 2004 - 14:00:40 PST)
- Michael Crowley (Wed Feb 18 2004 - 13:13:42 PST)
- Carsten Detering (Wed Feb 18 2004 - 11:20:51 PST)
AMBER: sander + vlimit exceed...
- Carsten Detering (Thu Feb 26 2004 - 15:16:31 PST)
AMBER: sander and mpich (which compilers/mpich work)
- Viktor Hornak (Wed Feb 04 2004 - 11:13:13 PST)
AMBER: sander output
- Dave S Walker (Fri Feb 20 2004 - 13:47:24 PST)
- David A. Case (Thu Feb 19 2004 - 21:54:32 PST)
- Dave S Walker (Thu Feb 19 2004 - 15:55:59 PST)
AMBER: saveamberparm warning in leap?
- David A. Case (Mon Feb 16 2004 - 17:04:17 PST)
- opitz.che.udel.edu (Mon Feb 16 2004 - 13:24:45 PST)
AMBER: Segmentation fault in SaveAmberParm
- Xin Chen (Wed Feb 18 2004 - 11:12:53 PST)
- xinchen (Tue Feb 17 2004 - 19:31:35 PST)
AMBER: SIGSEGV
- David A. Case (Mon Feb 16 2004 - 08:30:18 PST)
- John (Mon Feb 16 2004 - 02:43:36 PST)
AMBER: size.h error
- David A. Case (Thu Feb 26 2004 - 14:48:29 PST)
- Surjit Dixit (Thu Feb 26 2004 - 13:53:20 PST)
- Emmanuel Giudice (Thu Feb 26 2004 - 13:15:20 PST)
AMBER: Star like (branching) molecule
- Bill Ross (Tue Feb 24 2004 - 15:51:10 PST)
- Bill Ross (Tue Feb 24 2004 - 15:40:13 PST)
- John Bushnell (Tue Feb 24 2004 - 15:33:45 PST)
- opitz.che.udel.edu (Tue Feb 24 2004 - 14:54:45 PST)
AMBER: temperature in DelPhi for MM-PBSA calculation
- rluo.uci.edu (Mon Feb 02 2004 - 18:45:52 PST)
- Qing Zhang (Mon Feb 02 2004 - 16:58:54 PST)
- S. Frank Yan (Mon Feb 02 2004 - 15:18:22 PST)
- Qing Zhang (Mon Feb 02 2004 - 14:54:05 PST)
AMBER: Temperature in Nmode
- ML (Tue Feb 10 2004 - 12:46:19 PST)
- David A. Case (Tue Feb 10 2004 - 08:42:06 PST)
- ML (Tue Feb 10 2004 - 07:25:12 PST)
AMBER: TER in amber
- Vlad Cojocaru (Fri Feb 13 2004 - 00:35:41 PST)
- Lishan Yao (Thu Feb 12 2004 - 09:12:45 PST)
- Lishan Yao (Thu Feb 12 2004 - 10:08:29 PST)
- David A. Case (Thu Feb 12 2004 - 08:56:45 PST)
- Lishan Yao (Thu Feb 12 2004 - 08:17:02 PST)
- Vlad Cojocaru (Thu Feb 12 2004 - 07:56:04 PST)
- Lishan Yao (Thu Feb 12 2004 - 07:04:03 PST)
AMBER: The charge given by xleap from amber 5
- Ben Cossins (Fri Feb 20 2004 - 04:25:55 PST)
AMBER: the uses for Amber FFs
- Vlad Cojocaru (Tue Feb 03 2004 - 06:56:26 PST)
- a b (Tue Feb 03 2004 - 06:48:24 PST)
AMBER: Thermostat comparison ?
- MD Tyka, Biochemistry (Mon Feb 23 2004 - 09:41:56 PST)
AMBER: TI, angle parameters for nitrogen, frcmod
- David A. Case (Thu Feb 05 2004 - 09:51:39 PST)
- Carsten Detering (Mon Feb 02 2004 - 12:38:59 PST)
AMBER: TIP4P
- David A. Case (Mon Feb 16 2004 - 08:36:37 PST)
- Nikolai Smolin (Mon Feb 16 2004 - 02:58:56 PST)
AMBER: TIP4P extended
- David A. Case (Mon Feb 16 2004 - 09:37:32 PST)
- Sarah Wittkopp (Mon Feb 16 2004 - 09:21:15 PST)
- Nikolai Smolin (Mon Feb 16 2004 - 09:10:19 PST)
- Nikolai Smolin (Mon Feb 16 2004 - 09:06:30 PST)
AMBER: tmd question
- Carlos Simmerling (Thu Feb 19 2004 - 08:17:51 PST)
- hj zou (Wed Feb 18 2004 - 18:58:45 PST)
AMBER: water as a "ligand" in GBSA and MM-PBSA?
- Giulio Rastelli (Fri Feb 06 2004 - 09:41:50 PST)
AMBER: What does this error message mean?
- Martina Roeselova (Tue Feb 03 2004 - 11:55:22 PST)
- Bill Ross (Tue Feb 03 2004 - 10:40:15 PST)
- Carlos Simmerling (Tue Feb 03 2004 - 08:30:56 PST)
- David A. Case (Tue Feb 03 2004 - 08:12:48 PST)
- nie beining (Tue Feb 03 2004 - 07:58:41 PST)
AMBER: xleap & antechamber
- David A. Case (Thu Feb 05 2004 - 09:46:02 PST)
- L Jin (Tue Feb 03 2004 - 01:46:54 PST)
AMBER: xleap don't recognize my residue/atom
- Rhonda Torres (Sun Feb 22 2004 - 14:23:59 PST)
- scopio (Sun Feb 22 2004 - 03:18:42 PST)
ANAL problem
- Bill Ross (Thu Feb 05 2004 - 10:07:58 PST)
- David A. Case (Thu Feb 05 2004 - 09:36:05 PST)
To David Case
- Małgorzata Jarończyk (Fri Feb 13 2004 - 03:25:52 PST)

Amber Archive Feb 2004 by subject