AMBER Archive (2006) - Feb 2006 By Author

Starting: Wed Feb 01 2006 - 01:18:44 CST
Ending: Tue Feb 28 2006 - 23:00:37 CST

• A D
  • AMBER: script advice (Mon Feb 13 2006 - 20:35:35 CST)
  • Re: AMBER: basic minimize question (Wed Feb 01 2006 - 17:35:38 CST)
  • AMBER: basic minimize question (Wed Feb 01 2006 - 16:50:53 CST)
• Aaron J. Greenwood
  • Re: AMBER: Amber8 parallel compilation problems on an OSCAR Cluster (Fri Feb 03 2006 - 09:57:30 CST)
  • AMBER: Amber8 parallel compilation problems on an OSCAR Cluster (Thu Feb 02 2006 - 16:18:59 CST)
• Abd Ghani Abd Aziz
  • AMBER: failed to save prm and xyz using ff96 (Tue Feb 28 2006 - 09:32:49 CST)
  • RE: AMBER: amber 8 problem (Mon Feb 20 2006 - 22:55:27 CST)
  • Re: AMBER: amber 8 problem (Mon Feb 20 2006 - 10:17:37 CST)
  • AMBER: amber 8 problem (Mon Feb 20 2006 - 09:08:12 CST)
• Adrian Roitberg
  • Re: AMBER: Charges on atoms in protein :AMBER (Thu Feb 02 2006 - 13:50:54 CST)
  • Re: AMBER: Values of Spring Constants (Wed Feb 01 2006 - 07:05:14 CST)
• Amanda Jonsson
  • AMBER: DNA tutorial xleap help (Wed Feb 08 2006 - 12:56:32 CST)
• Amber admin
  • AMBER: m4 error with Amber8 on SUN (Wed Feb 15 2006 - 16:51:38 CST)
• Ananda Rama Krishnan Selvaraj
  • Re: AMBER: Strange minimization output problem (Sat Feb 04 2006 - 10:12:19 CST)
• Andreas Svrcek-Seiler
  • Re: AMBER: amber 8 problem (Mon Feb 20 2006 - 10:20:28 CST)
  • Re: AMBER: Strange minimization output problem (Sun Feb 05 2006 - 09:23:03 CST)
• andy ng
  • Re: AMBER: Phosphorylated amino acid (Mon Feb 20 2006 - 23:55:55 CST)
  • AMBER: Phosphorylated amino acid (Sun Feb 19 2006 - 17:51:41 CST)
  • AMBER: Strange minimization output problem (Sat Feb 04 2006 - 06:39:31 CST)
• Angelo Pugliese
  • AMBER: Free energy perturbation (Wed Feb 22 2006 - 10:42:06 CST)
  • Re: AMBER: Distortion in parallelploied (Mon Feb 13 2006 - 09:40:40 CST)
• Atilio I Anzellotti/O/VCU
  • AMBER: MD of oligomer sequences (Thu Feb 02 2006 - 16:53:28 CST)
• Atsutoshi Okabe
  • AMBER: About WHAM (Tue Feb 21 2006 - 00:22:01 CST)
  • AMBER: Gibbs PMF Calculation (Fri Feb 03 2006 - 02:38:55 CST)
  • AMBER: Gibbs PMF Calculation (Wed Feb 01 2006 - 06:31:12 CST)
• bala
  • AMBER: sander problem (Thu Feb 16 2006 - 09:57:43 CST)
• Baldoni Hector Armando
  • AMBER: 2D-topology (Mon Feb 13 2006 - 15:50:11 CST)
• Bill Ross
  • Re: AMBER: CARNAL: H-BOND Specifying side chains only (Tue Feb 21 2006 - 15:41:25 CST)
  • Re: AMBER: double stranded polyribocytidylic acid (Thu Feb 16 2006 - 12:53:10 CST)
  • Re: AMBER: double stranded polyribocytidylic acid (Thu Feb 16 2006 - 12:49:20 CST)
  • Re: AMBER: double stranded polyribocytidylic acid (Wed Feb 15 2006 - 11:25:21 CST)
  • Re: AMBER: double stranded polyribocytidylic acid (Tue Feb 14 2006 - 14:35:19 CST)
  • Re: AMBER: DNA tutorial xleap help (Wed Feb 08 2006 - 13:56:25 CST)
  • RE: AMBER: Charges on atoms in protein :AMBER (Thu Feb 02 2006 - 13:31:28 CST)
  • RE: AMBER: Charges on atoms in protein :AMBER (Thu Feb 02 2006 - 12:43:23 CST)
• Bing Liu
  • AMBER: MM_PBSA problem (No values for MM_GAS ) (Mon Feb 13 2006 - 08:40:47 CST)
• Brian Stupi
  • AMBER: process_mdout.perl (Thu Feb 16 2006 - 16:02:06 CST)
  • RE: AMBER: sander problem (Thu Feb 16 2006 - 14:44:11 CST)
  • Re: AMBER: Error when installing (Mon Feb 13 2006 - 14:40:46 CST)
  • AMBER: Error when installing (Mon Feb 13 2006 - 14:19:19 CST)
  • AMBER: What Viewer is best (Sat Feb 04 2006 - 23:59:29 CST)
• Cao Tran
  • RE: AMBER: Ask for your help to install Amber8 software (Fri Feb 10 2006 - 03:01:38 CST)
  • AMBER: Ask for your help to install Amber8 software (Wed Feb 08 2006 - 07:53:11 CST)
• CaoTran
  • RE: AMBER: Ask for your help to install Amber8 software (Wed Feb 08 2006 - 09:03:51 CST)
• Carlos Silva Lopez
  • Re: AMBER: Compiling the parallel version of amber 8 in a beowulf linux cluster (Tue Feb 28 2006 - 16:27:07 CST)
  • AMBER: Compiling the parallel version of amber 8 in a beowulf linux cluster (Tue Feb 28 2006 - 11:30:42 CST)
• Carlos Simmerling
  • Re: AMBER: failed to save prm and xyz using ff96 (Tue Feb 28 2006 - 11:24:23 CST)
  • Re: AMBER: AMBER force field with namd (Thu Feb 23 2006 - 07:41:31 CST)
  • Re: AMBER: paralelization and sander problems (Tue Feb 21 2006 - 06:57:10 CST)
  • Re: AMBER: Error in RST files in long simulations! (Tue Feb 21 2006 - 07:02:58 CST)
  • Re: AMBER: Error in RST files in long simulations! (Mon Feb 20 2006 - 14:32:13 CST)
  • Re: AMBER: paralelization and sander problems (Fri Feb 17 2006 - 05:59:44 CST)
  • Re: AMBER: sander problem (Thu Feb 16 2006 - 10:25:20 CST)
  • Re: AMBER: paralelization and sander problems (Tue Feb 14 2006 - 07:59:43 CST)
  • Re: AMBER: EAMBER (Thu Feb 09 2006 - 22:15:21 CST)
  • Re: AMBER: Parallel version of Amber: error message (Mon Feb 06 2006 - 13:21:31 CST)
  • Re: AMBER: dihedral parameters (Mon Feb 06 2006 - 06:22:03 CST)
  • Re: AMBER: dihedral parameters (Sat Feb 04 2006 - 11:30:27 CST)
  • Re: AMBER: AMBER 7 and cutoff's (Fri Feb 03 2006 - 13:20:30 CST)
  • Re: AMBER: Gibbs PMF Calculation (Fri Feb 03 2006 - 05:52:56 CST)
  • Re: AMBER: Values of Spring Constants (Thu Feb 02 2006 - 05:34:30 CST)
  • Re: AMBER: protein ligand complex (Wed Feb 01 2006 - 12:26:10 CST)
  • Re: AMBER: protein ligand complex (Wed Feb 01 2006 - 11:53:06 CST)
  • Re: AMBER: Gibbs PMF Calculation (Wed Feb 01 2006 - 06:54:33 CST)
  • Re: AMBER: Values of Spring Constants (Wed Feb 01 2006 - 06:52:50 CST)
• Cenk Andac
  • Re: AMBER: dynamic memory allocation problem in nmode (Sun Feb 26 2006 - 03:26:23 CST)
  • AMBER: dynamic memory allocation problem in nmode (Sun Feb 26 2006 - 02:58:14 CST)
  • RE: AMBER: Problem with file size of sander outputs (Thu Feb 23 2006 - 01:23:02 CST)
  • AMBER: Problem with file size of sander outputs (Wed Feb 22 2006 - 01:54:24 CST)
  • RE: AMBER: Ask for your help to install Amber8 software (Fri Feb 10 2006 - 04:46:12 CST)
  • Re: AMBER: Ask for your help to install Amber8 software (Wed Feb 08 2006 - 08:44:30 CST)
• Chris Moth
  • Re: AMBER: format of qusaiharmonic eigenvector file in AMBER7 (Tue Feb 07 2006 - 08:10:07 CST)
• Claire Zerafa
  • AMBER: mask issues (Tue Feb 28 2006 - 06:46:12 CST)
• cristian obiol
  • Re: AMBER: paralelization and sander problems (Mon Feb 20 2006 - 06:13:58 CST)
  • Re: AMBER: paralelization and sander problems (Fri Feb 17 2006 - 04:07:37 CST)
  • AMBER: paralelization and sander problems (Tue Feb 14 2006 - 04:24:18 CST)
• David A. Case
  • Re: AMBER: Angle restraint (Tue Feb 28 2006 - 17:54:40 CST)
  • Re: AMBER: ptraj warning while loading reference (Mon Feb 27 2006 - 10:44:52 CST)
  • Re: AMBER: dynamic memory allocation problem in nmode (Sun Feb 26 2006 - 22:21:02 CST)
  • Re: AMBER: Constant pressure - restart - Amber8 (Fri Feb 24 2006 - 15:18:58 CST)
  • Re: AMBER: Constant pressure - restart - Amber8 (Fri Feb 24 2006 - 11:34:46 CST)
  • Re: AMBER: entropic energy (Fri Feb 24 2006 - 10:36:49 CST)
  • Re: AMBER: Ti calculations in dmso solvent (Thu Feb 23 2006 - 12:01:26 CST)
  • Re: AMBER: NMR restraints and LES (Mon Feb 20 2006 - 20:26:17 CST)
  • Re: AMBER: amber 8 problem (Mon Feb 20 2006 - 10:33:01 CST)
  • Re: AMBER: charge redistribution in .prep files (Mon Feb 20 2006 - 10:29:41 CST)
  • Re: AMBER: m4 error with Amber8 on SUN (Wed Feb 15 2006 - 17:56:06 CST)
  • Re: AMBER: negative T_solv values (Wed Feb 15 2006 - 10:18:25 CST)
  • Re: AMBER: Istallation AMBER8 (Wed Feb 15 2006 - 00:57:13 CST)
  • Re: AMBER: Absoft Pro Fortran and AMBER 8 on MacOS X 10.4.4 (Wed Feb 15 2006 - 00:12:42 CST)
  • Re: AMBER: 2D-topology (Tue Feb 14 2006 - 15:57:45 CST)
  • Re: AMBER: Xleap crash (Tue Feb 14 2006 - 13:51:53 CST)
  • Re: AMBER: Xleap crash (Tue Feb 14 2006 - 11:36:21 CST)
  • Re: AMBER: paralelization and sander problems (Tue Feb 14 2006 - 10:32:59 CST)
  • Re: AMBER: Problem in running umbrella sampling (Sun Feb 12 2006 - 23:11:48 CST)
  • Re: AMBER: Distortion in parallelploied (Fri Feb 10 2006 - 11:04:13 CST)
  • Re: AMBER: non bond list overflow (Tue Feb 07 2006 - 13:00:54 CST)
  • Re: AMBER: Hessian matrix (Tue Feb 07 2006 - 10:40:37 CST)
  • Re: AMBER: non bond list overflow (Tue Feb 07 2006 - 00:37:59 CST)
  • Re: AMBER: Parallel error in Amber 8 (Mon Feb 06 2006 - 17:37:56 CST)
  • Re: AMBER: Strange minimization output problem (Sat Feb 04 2006 - 14:20:17 CST)
  • Re: AMBER: bugfix for impropers in parmchk (Sat Feb 04 2006 - 12:50:15 CST)
  • Re: AMBER: Problem in compiling sander with MMTSB (Fri Feb 03 2006 - 18:31:32 CST)
  • Re: AMBER: Values of Spring Constants (Fri Feb 03 2006 - 17:51:22 CST)
  • Re: AMBER: (Fri Feb 03 2006 - 17:46:28 CST)
  • Re: AMBER: positional restraints & constant pressure (Fri Feb 03 2006 - 10:40:53 CST)
  • Re: AMBER: MD of oligomer sequences (Thu Feb 02 2006 - 20:08:42 CST)
  • Re: AMBER: Amber8 parallel compilation problems on an OSCAR Cluster (Thu Feb 02 2006 - 19:49:39 CST)
  • Re: AMBER: Amber8 parallel compilation problems on EM64T system (Thu Feb 02 2006 - 14:28:27 CST)
  • Re: AMBER: MM-PBSA (Thu Feb 02 2006 - 13:00:23 CST)
  • Re: AMBER: Problem in compiling sander with MMTSB (Wed Feb 01 2006 - 18:05:58 CST)
  • Re: AMBER: basic minimize question (Wed Feb 01 2006 - 18:09:11 CST)
  • Re: AMBER: Values of Spring Constants (Wed Feb 01 2006 - 10:38:13 CST)
  • Re: AMBER: lifetimes (Wed Feb 01 2006 - 10:20:56 CST)
• David Case
  • Re: AMBER: simulated annealing run--temp won't rise (Fri Feb 03 2006 - 00:46:00 CST)
  • AMBER: Re: Force Decomposition for MTS in AMBER 8. (Fri Feb 03 2006 - 00:34:23 CST)
  • Re: AMBER: Cannot successfully assign bond type for this molecule? (Wed Feb 01 2006 - 15:49:55 CST)
• David LeBard
  • Re: AMBER: Parallel version of Amber: error message (Mon Feb 06 2006 - 14:10:29 CST)
• David Mobley
  • Re: AMBER: Ti calculations in dmso solvent (Thu Feb 23 2006 - 14:06:43 CST)
  • Re: AMBER: Ti calculations in dmso solvent (Thu Feb 23 2006 - 10:58:17 CST)
  • Re: AMBER: soft-core potential in amber? (Tue Feb 07 2006 - 08:54:33 CST)
  • Re: AMBER: (Sat Feb 04 2006 - 12:06:23 CST)
• Dr.Rudolf Friedemann
  • AMBER: Istallation AMBER8 (Tue Feb 14 2006 - 04:41:39 CST)
• Fabien Cailliez
  • AMBER: AMBER force field with namd (Wed Feb 22 2006 - 11:54:23 CST)
• Feng X Zhou
  • RE: AMBER: Problem with file size of sander outputs (Thu Feb 23 2006 - 11:42:22 CST)
• FyD
  • Re: AMBER: How to develop charge for my deprotonated glycine (Tue Feb 28 2006 - 23:00:37 CST)
  • Re: AMBER: A problem with Amber force field new parameter derivation (Fri Feb 24 2006 - 00:27:31 CST)
  • Re: AMBER: instructions for making a library file for an unusual residue? (Tue Feb 21 2006 - 07:17:48 CST)
  • Re: AMBER: instructions for making a library file for an unusual residue? (Sun Feb 19 2006 - 11:14:10 CST)
  • Re: AMBER: antechamber for a database of organic molecules (Sun Feb 19 2006 - 09:51:52 CST)
• german
  • Re: AMBER: Problem with file size of sander outputs (Wed Feb 22 2006 - 04:49:49 CST)
  • Re: AMBER: Charge of the phosphorylated Ser/Thr in MM_PBSA calculation (Thu Feb 16 2006 - 06:04:39 CST)
• Guanglei Cui
  • Re: AMBER: MD job stopped without any error information? (Mon Feb 27 2006 - 09:55:47 CST)
• HL Eastwood
  • AMBER: Amber8 parallel compilation problems on EM64T system (Thu Feb 02 2006 - 13:32:32 CST)
• Ilyas Yildirim
  • Re: AMBER: instructions for making a library file for an unusual residue? (Tue Feb 21 2006 - 00:28:49 CST)
  • Re: AMBER: Question about renaming a residue (Fri Feb 17 2006 - 20:05:37 CST)
  • Re: AMBER: lib file (Fri Feb 03 2006 - 19:11:36 CST)
  • Re: AMBER: lib file (Thu Feb 02 2006 - 14:18:28 CST)
  • RE: AMBER: Charges on atoms in protein :AMBER (Thu Feb 02 2006 - 14:14:53 CST)
  • Re: AMBER: lib file (Thu Feb 02 2006 - 13:08:12 CST)
• ivan_at_mmb.pcb.ub.es
  • Re: AMBER: prepi definitions (Wed Feb 01 2006 - 10:33:42 CST)
• Jennie Thomas
  • Re: AMBER: Constant pressure - restart - Amber8 (Sun Feb 26 2006 - 19:56:59 CST)
  • Re: AMBER: Constant pressure - restart - Amber8 (Fri Feb 24 2006 - 14:18:56 CST)
  • AMBER: Constant pressure - restart - Amber8 (Fri Feb 24 2006 - 10:59:34 CST)
• Jianzhong Liu
  • AMBER: How to develop charge for my deprotonated glycine (Tue Feb 28 2006 - 13:58:31 CST)
• Jingyuan Luke
  • AMBER: Absoft Pro Fortran and AMBER 8 on MacOS X 10.4.4 (Tue Feb 14 2006 - 19:35:37 CST)
• Jiri Sponer
  • Re: AMBER: double stranded polyribocytidylic acid (Wed Feb 15 2006 - 11:46:27 CST)
  • Re: AMBER: double stranded polyribocytidylic acid (Wed Feb 15 2006 - 07:16:46 CST)
  • Re: AMBER: double stranded polyribocytidylic acid (Tue Feb 14 2006 - 06:56:07 CST)
  • Re: AMBER: double stranded polyribocytidylic acid (Tue Feb 14 2006 - 04:54:05 CST)
• Jiten
  • Re: AMBER: dynamic memory allocation problem in nmode (Sun Feb 26 2006 - 09:07:23 CST)
  • AMBER: mm_pbsa problem in IBM-aix (Sat Feb 18 2006 - 01:36:52 CST)
• julien
  • Re: AMBER: helix content during my simulation (Mon Feb 06 2006 - 09:04:51 CST)
  • AMBER: helix content during my simulation (Mon Feb 06 2006 - 07:09:38 CST)
• JunJun Liu
  • Re: AMBER: Problem with file size of sander outputs (Wed Feb 22 2006 - 14:58:00 CST)
  • Re: AMBER: amber 8 problem (Mon Feb 20 2006 - 10:05:53 CST)
  • Re: AMBER: sander problem (Thu Feb 16 2006 - 10:16:34 CST)
  • Re: AMBER: script advice (Wed Feb 15 2006 - 09:35:44 CST)
• Junmei Wang
  • AMBER: Antechamber Package Announcement (Fri Feb 24 2006 - 10:26:52 CST)
  • RE: AMBER: antechamber for a database of organic molecules (Sun Feb 19 2006 - 21:32:22 CST)
• Kara Di Giorgio
  • AMBER: Question about renaming a residue (Fri Feb 17 2006 - 17:28:26 CST)
• Kateryna Miroshnychenko
  • Re: AMBER: double stranded polyribocytidylic acid (Thu Feb 16 2006 - 04:41:52 CST)
  • Re: AMBER: double stranded polyribocytidylic acid (Tue Feb 14 2006 - 06:09:36 CST)
  • AMBER: double stranded polyribocytidylic acid (Tue Feb 14 2006 - 03:44:01 CST)
  • Re: AMBER: bugfix for impropers in parmchk (Mon Feb 06 2006 - 09:09:06 CST)
  • AMBER: positional restraints & constant pressure (Thu Feb 02 2006 - 09:40:30 CST)
• Kay Kunes
  • AMBER: CARNAL: H-BOND Specifying side chains only (Tue Feb 21 2006 - 14:47:14 CST)
• Kenley Barrett
  • AMBER: specifying RSOLV when calculating 2003 force field charges (Fri Feb 24 2006 - 14:50:07 CST)
  • AMBER: does anyone have library file for methylated histidine, 2003 ff? (Tue Feb 21 2006 - 10:27:13 CST)
  • Re: AMBER: instructions for making a library file for an unusual residue? (Mon Feb 20 2006 - 18:22:22 CST)
  • AMBER: instructions for making a library file for an unusual residue? (Sat Feb 18 2006 - 16:02:42 CST)
  • Re: AMBER: non bond list overflow (Tue Feb 07 2006 - 10:32:18 CST)
  • AMBER: non bond list overflow (Mon Feb 06 2006 - 21:43:06 CST)
  • AMBER: simulated annealing run--temp won't rise (Thu Feb 02 2006 - 21:26:52 CST)
• Lei Wang
  • RE: AMBER: Ask for your help to install Amber8 software (Wed Feb 08 2006 - 09:16:32 CST)
• Lihua Wang
  • Re: AMBER: Parallel version of Amber: error message (Mon Feb 06 2006 - 14:27:40 CST)
  • AMBER: parameter loading problem (Thu Feb 02 2006 - 15:01:51 CST)
• linfu
  • AMBER: parallel problem of amber8 (Mon Feb 20 2006 - 07:01:02 CST)
  • AMBER: could amber calculte the binding free energy ofonly two small ligands (no big molecules) ? (Sun Feb 05 2006 - 10:49:32 CST)
• lucas luquitas
  • Re: AMBER: Error in RST files in long simulations! (Mon Feb 20 2006 - 17:08:38 CST)
  • AMBER: Error in RST files in long simulations! (Mon Feb 20 2006 - 13:59:35 CST)
  • AMBER: mm_pbsa output (Mon Feb 13 2006 - 17:40:28 CST)
• luckyang_at_gmail.com
  • Re: AMBER: Problem in compiling sander with MMTSB (Fri Feb 03 2006 - 19:21:51 CST)
  • Re: AMBER: Problem in compiling sander with MMTSB (Wed Feb 01 2006 - 21:26:55 CST)
  • Re: AMBER: Problem in compiling sander with MMTSB (Wed Feb 01 2006 - 13:39:04 CST)
• Lydia
  • AMBER: soft-core potential in amber? (Mon Feb 06 2006 - 18:13:14 CST)
• Magne Olufsen
  • AMBER: ptraj atomicfluct: is it possible to calculate atomic fluctations from a reference structure (Sun Feb 26 2006 - 13:00:23 CST)
• Marie Brut
  • AMBER: Organic molecules (Tue Feb 14 2006 - 10:42:23 CST)
  • AMBER: Hessian matrix (Mon Feb 06 2006 - 06:12:53 CST)
• Mark Williamson
  • Re: AMBER: Parallel version of Amber: error message (Mon Feb 06 2006 - 15:00:09 CST)
• Markus O Kaukonen
  • AMBER: Truncated octahedral box as triclinic lattice vectors (Mon Feb 20 2006 - 08:42:45 CST)
  • AMBER: negative T_solv values (Wed Feb 15 2006 - 02:25:40 CST)
• mbrut_at_laas.fr
  • Re: AMBER: Hessian matrix (Tue Feb 07 2006 - 11:55:17 CST)
• mdione_at_fcq.unc.edu.ar
  • AMBER: sander testing problem (Mon Feb 27 2006 - 15:53:23 CST)
• Melinda Layten
  • Re: AMBER: MD job stopped without any error information? (Mon Feb 27 2006 - 09:18:09 CST)
• Michael Mazanetz
  • AMBER: prepi definitions (Wed Feb 01 2006 - 09:56:25 CST)
• Mingfeng Yang
  • Re: AMBER: PMEMD MPI_Finalize() error (Fri Feb 10 2006 - 10:07:53 CST)
  • AMBER: PMEMD MPI_Finalize() error (Fri Feb 10 2006 - 08:50:59 CST)
  • AMBER: EAMBER (Thu Feb 09 2006 - 21:56:04 CST)
  • Re: AMBER: Parallel version of Amber: error message (Mon Feb 06 2006 - 14:29:38 CST)
  • Re: AMBER: helix content during my simulation (Mon Feb 06 2006 - 09:39:59 CST)
  • Re: AMBER: helix content during my simulation (Mon Feb 06 2006 - 08:03:32 CST)
• Natasja Brooijmans
  • Re: AMBER: MMPBSA: magnitude of PB calculation (Mon Feb 06 2006 - 06:52:36 CST)
• Nina Fischer
  • AMBER: entropic energy (Fri Feb 24 2006 - 06:15:17 CST)
• Pawe³ Gruszczyñski
  • AMBER: (Sat Feb 04 2006 - 03:16:10 CST)
• Phineus Markwick
  • AMBER: format of qusaiharmonic eigenvector file in AMBER7 (Tue Feb 07 2006 - 05:10:44 CST)
• Pradipta Bandyopadhyay
  • AMBER: MPICH-1.2.7 compilation problem ! (Fri Feb 03 2006 - 07:49:31 CST)
• Ray Luo
  • Re: AMBER: mm_pbsa problem in IBM-aix (Sun Feb 19 2006 - 14:22:01 CST)
  • Re: AMBER: MMPBSA: magnitude of PB calculation (Fri Feb 03 2006 - 01:49:07 CST)
• Rhoad, Jonathan S.
  • AMBER: (Fri Feb 03 2006 - 13:56:37 CST)
• richard dimelow
  • Re: AMBER: dihedral parameters (Mon Feb 06 2006 - 04:22:08 CST)
  • AMBER: dihedral parameters (Sat Feb 04 2006 - 10:06:41 CST)
• Robert Duke
  • Re: AMBER: PMEMD MPI_Finalize() error (Fri Feb 10 2006 - 09:15:29 CST)
• Ross Walker
  • RE: AMBER: failed to save prm and xyz using ff96 (Tue Feb 28 2006 - 10:31:41 CST)
  • RE: AMBER: MD job stopped without any error information? (Mon Feb 27 2006 - 10:22:25 CST)
  • AMBER: RE: about compiling errors for Leap (Mon Feb 27 2006 - 10:17:27 CST)
  • RE: AMBER: TI cal (Thu Feb 23 2006 - 13:25:57 CST)
  • RE: AMBER: generating parameters for the NADH analogue H4NAD (Thu Feb 23 2006 - 13:00:30 CST)
  • RE: AMBER: Problem with file size of sander outputs (Thu Feb 23 2006 - 12:06:30 CST)
  • RE: AMBER: Problem with file size of sander outputs (Wed Feb 22 2006 - 15:16:30 CST)
  • RE: AMBER: amber 8 problem (Mon Feb 20 2006 - 11:05:57 CST)
  • RE: AMBER: parallel problem of amber8 (Mon Feb 20 2006 - 11:00:26 CST)
  • RE: AMBER: sander problem (Thu Feb 16 2006 - 15:20:45 CST)
  • RE: AMBER: sander problem (Thu Feb 16 2006 - 10:51:24 CST)
  • RE: AMBER: minization: outputing intermediate snapshots (Tue Feb 14 2006 - 12:34:30 CST)
  • RE: AMBER: Error when installing (Tue Feb 14 2006 - 12:30:29 CST)
  • RE: AMBER: paralelization and sander problems (Tue Feb 14 2006 - 11:48:06 CST)
  • RE: AMBER: Organic molecules (Tue Feb 14 2006 - 11:44:25 CST)
  • RE: AMBER: Charges on atoms in protein :AMBER (Wed Feb 01 2006 - 22:17:24 CST)
  • RE: AMBER: basic minimize question (Wed Feb 01 2006 - 18:17:57 CST)
  • RE: AMBER: basic minimize question (Wed Feb 01 2006 - 17:06:07 CST)
• Sai Kumar Ramadugu
  • Re: AMBER: Problem in running umbrella sampling (Sun Feb 12 2006 - 23:22:49 CST)
  • AMBER: Problem in running umbrella sampling (Sun Feb 12 2006 - 22:28:09 CST)
  • Re: AMBER: Values of Spring Constants (Thu Feb 02 2006 - 22:01:44 CST)
  • Re: AMBER: Values of Spring Constants (Wed Feb 01 2006 - 23:00:56 CST)
  • Re: AMBER: Values of Spring Constants (Wed Feb 01 2006 - 09:43:05 CST)
  • AMBER: Values of Spring Constants (Wed Feb 01 2006 - 01:18:44 CST)
• Satyan Sharma
  • AMBER: Acetyl CoA (Thu Feb 09 2006 - 11:55:19 CST)
• Scott Pendley
  • Re: AMBER: Xleap crash (Tue Feb 14 2006 - 12:08:59 CST)
  • Re: AMBER: Xleap crash (Tue Feb 14 2006 - 11:53:37 CST)
  • AMBER: Xleap crash (Tue Feb 14 2006 - 10:55:12 CST)
  • Re: AMBER: (Mon Feb 13 2006 - 15:00:15 CST)
  • Re: AMBER: MM_PBSA problem (No values for MM_GAS ) (Mon Feb 13 2006 - 14:57:27 CST)
• shuli kang
  • Re: AMBER: Problem with file size of sander outputs (Wed Feb 22 2006 - 02:45:21 CST)
  • AMBER: (Mon Feb 13 2006 - 06:26:07 CST)
• Simon Whitehead
  • AMBER: generating parameters for the NADH analogue H4NAD (Thu Feb 23 2006 - 12:31:02 CST)
• sishi.tang_at_utoronto.ca
  • Re: AMBER: MMPBSA: magnitude of PB calculation (Sat Feb 04 2006 - 10:47:21 CST)
  • AMBER: MMPBSA: magnitude of PB calculation (Fri Feb 03 2006 - 17:34:10 CST)
• Sivakolundu, Sivashankar
  • AMBER: NMR restraints and LES (Mon Feb 20 2006 - 19:43:38 CST)
• snoze pa
  • Re: AMBER: sander problem (Thu Feb 16 2006 - 10:13:22 CST)
  • AMBER: PMED in AMBER (Wed Feb 08 2006 - 19:07:40 CST)
  • AMBER: desc related issue (Wed Feb 08 2006 - 13:15:19 CST)
  • Re: AMBER: Parallel error in Amber 8 (Mon Feb 06 2006 - 18:16:20 CST)
  • Re: AMBER: Parallel error in Amber 8 (Mon Feb 06 2006 - 17:18:16 CST)
  • Re: AMBER: Parallel error in Amber 8 (Mon Feb 06 2006 - 17:02:22 CST)
  • AMBER: Parallel error in Amber 8 (Mon Feb 06 2006 - 16:47:19 CST)
  • Re: AMBER: Parallel version of Amber: error message (Mon Feb 06 2006 - 13:45:48 CST)
  • AMBER: Parallel version of Amber: error message (Mon Feb 06 2006 - 12:55:39 CST)
  • Re: AMBER: lib file (Fri Feb 03 2006 - 13:32:39 CST)
  • AMBER: lib file (Thu Feb 02 2006 - 10:55:33 CST)
  • Re: AMBER: Cannot successfully assign bond type for this molecule? (Wed Feb 01 2006 - 17:00:40 CST)
  • AMBER: Cannot successfully assign bond type for this molecule? (Wed Feb 01 2006 - 14:43:53 CST)
  • Re: AMBER: protein ligand complex (Wed Feb 01 2006 - 13:42:11 CST)
  • Re: AMBER: protein ligand complex (Wed Feb 01 2006 - 12:06:39 CST)
  • AMBER: protein ligand complex (Wed Feb 01 2006 - 11:21:21 CST)
• Stefano Federico Massimiliano Pieraccini (Stefano.Pieraccini)
  • AMBER: charge redistribution in .prep files (Mon Feb 20 2006 - 06:37:54 CST)
• Steve Seibold
  • RE: AMBER: TI cal (Thu Feb 23 2006 - 14:08:20 CST)
  • AMBER: TI cal (Thu Feb 23 2006 - 13:02:45 CST)
• Supat Jiranusornkul
  • AMBER: Torsional restraints for groups of atoms (Fri Feb 17 2006 - 06:14:12 CST)
• Thomas E. Cheatham, III
  • Re: AMBER: Question about renaming a residue (Fri Feb 17 2006 - 17:46:27 CST)
  • RE: AMBER: sander problem (Thu Feb 16 2006 - 15:12:39 CST)
• Thomas Steinbrecher
  • Re: AMBER: MMPBSA: magnitude of PB calculation (Mon Feb 06 2006 - 02:54:01 CST)
• Tim Meyer
  • Re: AMBER: Phosphorylated amino acid (Mon Feb 20 2006 - 02:56:36 CST)
• Toomas Kaevand
  • AMBER: AMBER 7 and cutoff's (Fri Feb 03 2006 - 11:58:53 CST)
• Varsha Goyal
  • AMBER: Sulfonamides and GAFF (Sun Feb 26 2006 - 19:16:18 CST)
  • AMBER: Distortion in parallelploied (Thu Feb 09 2006 - 19:39:06 CST)
  • RE: AMBER: Charges on atoms in protein :AMBER (Thu Feb 02 2006 - 13:20:59 CST)
  • AMBER: Charges on atoms in protein :AMBER (Wed Feb 01 2006 - 21:00:09 CST)
• venditti2_at_unisi.it
  • AMBER: Angle restraint (Tue Feb 28 2006 - 14:00:48 CST)
• Vidana.Epa_at_csiro.au
  • AMBER: A problem with Amber force field new parameter derivation (Fri Feb 24 2006 - 00:16:04 CST)
• Vitor Manuel Sousa F?x
  • AMBER: Ti calculations in dmso solvent (Mon Feb 20 2006 - 11:55:32 CST)
• Vlad Cojocaru
  • Re: AMBER: mask issues (Tue Feb 28 2006 - 07:03:16 CST)
  • Re: AMBER: ptraj warning while loading reference (Mon Feb 27 2006 - 11:00:43 CST)
  • AMBER: ptraj warning while loading reference (Mon Feb 27 2006 - 06:45:28 CST)
  • Re: AMBER: generating parameters for the NADH analogue H4NAD (Thu Feb 23 2006 - 12:53:30 CST)
  • Re: AMBER: AMBER force field with namd (Thu Feb 23 2006 - 08:04:51 CST)
  • Re: AMBER: AMBER force field with namd (Thu Feb 23 2006 - 04:11:17 CST)
  • AMBER: minization: outputing intermediate snapshots (Fri Feb 10 2006 - 09:05:59 CST)
  • AMBER: minization: outputing intermediate snapshots (Fri Feb 10 2006 - 05:49:04 CST)
  • Re: AMBER: What Viewer is best (Sun Feb 05 2006 - 11:01:11 CST)
• Wei Zhang
  • Re: AMBER: Compiling the parallel version of amber 8 in a beowulf linux cluster (Tue Feb 28 2006 - 12:01:34 CST)
  • Re: AMBER: DNA tutorial xleap help (Wed Feb 08 2006 - 13:42:32 CST)
  • Re: AMBER: Parallel error in Amber 8 (Mon Feb 06 2006 - 17:06:07 CST)
• ying xiong
  • AMBER: MD job stopped without any error information? (Mon Feb 27 2006 - 02:29:50 CST)
• Yogesh Sabnis
  • AMBER: antechamber for a database of organic molecules (Sun Feb 19 2006 - 09:16:23 CST)
• zgleo
  • AMBER: Charge of the phosphorylated Ser/Thr in MM_PBSA calculation (Thu Feb 16 2006 - 00:04:47 CST)
• zhli_2000_at_126.com
  • AMBER: How to explain the meaning of the mmpbsa/DC result? (Sun Feb 26 2006 - 01:01:04 CST)

Last message date: Sat Dec 30 2006 - 07:20:23 CST
Archived on: Wed Feb 21 2007 - 22:44:15 CST