AMBER Archive (2008) - Jan 2008 By Date

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Starting: Tue Jan 01 2008 - 19:44:34 CST
Ending: Thu Jan 31 2008 - 15:16:22 CST

AMBER: ff03-compatible parameters/charges for phosphothreonine and phosphotyrosine John Chodera (Tue Jan 01 2008 - 19:44:34 CST)
Re: AMBER: ff03-compatible parameters/charges for phosphothreonine and phosphotyrosine FyD (Wed Jan 02 2008 - 02:52:15 CST)
Re: AMBER: a question of ptraj WANG,YING (Wed Jan 02 2008 - 12:04:24 CST)
AMBER: Help reg. input file snoze pa (Wed Jan 02 2008 - 12:34:56 CST)
Re: AMBER: Help reg. input file FyD (Wed Jan 02 2008 - 13:34:40 CST)
Re: AMBER: Help reg. input file snoze pa (Wed Jan 02 2008 - 13:50:50 CST)
Re: AMBER: Help reg. input file FyD (Wed Jan 02 2008 - 14:21:03 CST)
AMBER: AMBER-8 parallel installation - test run failure brmeher_at_iitg.ernet.in (Thu Jan 03 2008 - 04:10:58 CST)
Re: AMBER: AMBER-8 parallel installation - test run failure Ming Lei (Thu Jan 03 2008 - 08:08:46 CST)
AMBER: question about antechamber Lynn (Thu Jan 03 2008 - 08:32:56 CST)
Re: AMBER: question about antechamber Junmei Wang (Thu Jan 03 2008 - 09:18:34 CST)
AMBER: Thermodynamic integration with positional restraint? Cen Gao (Thu Jan 03 2008 - 10:43:32 CST)
Re: AMBER: Thermodynamic integration with positional restraint? David A. Case (Thu Jan 03 2008 - 11:31:19 CST)
AMBER: Combine mdcrd files Francesco Pietra (Thu Jan 03 2008 - 17:01:47 CST)
Re: AMBER: Combine mdcrd files Carlos Simmerling (Thu Jan 03 2008 - 17:09:23 CST)
AMBER: MM-PBSA problem stephane acoca (Thu Jan 03 2008 - 21:45:10 CST)
Re: AMBER: ff03-compatible parameters/charges for phosphothreonine and phosphotyrosine FyD (Fri Jan 04 2008 - 04:34:00 CST)
AMBER: check COM velocity Pankaj R. Daga (Fri Jan 04 2008 - 10:06:26 CST)
Re: AMBER: check COM velocity David A. Case (Fri Jan 04 2008 - 10:29:09 CST)
RE: AMBER: Combine mdcrd files Ross Walker (Fri Jan 04 2008 - 10:35:23 CST)
Re: AMBER: check COM velocity Lars Skjærven (Fri Jan 04 2008 - 10:36:53 CST)
AMBER: Combine mdcrd Francesco Pietra (Fri Jan 04 2008 - 10:37:07 CST)
Re: AMBER: Combine mdcrd Carlos Simmerling (Fri Jan 04 2008 - 10:44:55 CST)
AMBER: FW: AMBER vs Gaussian : zero VDW parameters? Ross Walker (Fri Jan 04 2008 - 11:01:14 CST)
Re: AMBER: Combine mdcrd Francesco Pietra (Fri Jan 04 2008 - 11:07:15 CST)
Fwd: Re: AMBER: Combine mdcrd Francesco Pietra (Fri Jan 04 2008 - 11:23:45 CST)
Re: Re: AMBER: Combine mdcrd Carlos Simmerling (Fri Jan 04 2008 - 11:30:31 CST)
Fwd: Re: AMBER: Combine mdcrd Francesco Pietra (Fri Jan 04 2008 - 11:36:49 CST)
Re: Re: AMBER: Combine mdcrd Carlos Simmerling (Fri Jan 04 2008 - 11:56:04 CST)
AMBER: Combining multiple structures into single pdb Seth Lilavivat (Fri Jan 04 2008 - 14:21:58 CST)
Re: Re: AMBER: Combine mdcrd Francesco Pietra (Fri Jan 04 2008 - 15:26:32 CST)
AMBER: mm/pbsa and saltcon effect Christopher Gaughan (Fri Jan 04 2008 - 15:40:17 CST)
Re: AMBER: MM-PBSA problem Jack Lei (Fri Jan 04 2008 - 19:31:05 CST)
Re: AMBER: MM-PBSA problem David A. Case (Fri Jan 04 2008 - 20:07:07 CST)
AMBER: amber :antechamber problem jani sahil (Fri Jan 04 2008 - 21:51:56 CST)
AMBER: antechamber problems jani sahil (Fri Jan 04 2008 - 21:49:10 CST)
AMBER: About RAMD Francesco Pietra (Sat Jan 05 2008 - 04:39:44 CST)
Re: AMBER: About RAMD Carlos Simmerling (Sat Jan 05 2008 - 10:12:40 CST)
Re: AMBER: About RAMD Francesco Pietra (Sat Jan 05 2008 - 10:26:01 CST)
Re: AMBER: About RAMD Carlos Simmerling (Sat Jan 05 2008 - 10:46:32 CST)
Re: AMBER: About RAMD Robert Duke (Sat Jan 05 2008 - 11:05:55 CST)
Re: AMBER: About RAMD Adrian Roitberg (Sat Jan 05 2008 - 11:47:33 CST)
RE: AMBER: About RAMD Yong Duan (Sat Jan 05 2008 - 13:24:53 CST)
AMBER: NMROPT=1 in minimisation Binbin Liu (Sat Jan 05 2008 - 17:38:51 CST)
Re: AMBER: antechamber problems Junmei Wang (Sat Jan 05 2008 - 23:35:04 CST)
AMBER: temperature spikes Sally Pias (Sun Jan 06 2008 - 00:26:55 CST)
Re: AMBER: temperature spikes Adrian Roitberg (Sun Jan 06 2008 - 10:41:50 CST)
AMBER: MD of protein-ligand comlex umbrita itl (Sun Jan 06 2008 - 14:54:47 CST)
Re: AMBER: NMROPT=1 in minimisation David A. Case (Sun Jan 06 2008 - 14:59:03 CST)
Re: AMBER: MD of protein-ligand comlex Syed Tarique Moin (Mon Jan 07 2008 - 00:18:20 CST)
Re: AMBER: MD of protein-ligand comlex Chris Moth (Mon Jan 07 2008 - 06:10:23 CST)
AMBER: Cluster analysis Francesco Pietra (Mon Jan 07 2008 - 10:00:40 CST)
AMBER: Structure comparison-NMR and X-ray structure using AMBER9 Prem Prakash Pathak (Mon Jan 07 2008 - 10:11:22 CST)
Re: AMBER: Structure comparison-NMR and X-ray structure using AMBER9 Carlos Simmerling (Mon Jan 07 2008 - 10:16:16 CST)
Re: AMBER: amber :antechamber problem Wei Chen (Mon Jan 07 2008 - 10:14:53 CST)
Re: AMBER: Cluster analysis Carlos Simmerling (Mon Jan 07 2008 - 10:18:22 CST)
Re: AMBER: amber :antechamber problem Florian Haberl (Mon Jan 07 2008 - 10:33:02 CST)
AMBER: offset residue numbering Brendan Duggan (Mon Jan 07 2008 - 14:14:30 CST)
AMBER: Torsional Forcing to generate PES? Praveena Gopal (Mon Jan 07 2008 - 22:42:04 CST)
AMBER: Nudged Elastic Band initial heating problem Mike Wykes (Tue Jan 08 2008 - 04:42:09 CST)
AMBER: RESP Syed Tarique Moin (Tue Jan 08 2008 - 06:41:56 CST)
AMBER: RESP Syed Tarique Moin (Tue Jan 08 2008 - 06:40:21 CST)
AMBER: RESP Syed Tarique Moin (Tue Jan 08 2008 - 06:41:06 CST)
AMBER: RESP Syed Tarique Moin (Tue Jan 08 2008 - 06:40:03 CST)
Re: AMBER: Nudged Elastic Band initial heating problem Keith Van Nostrand (Tue Jan 08 2008 - 07:32:31 CST)
AMBER: Problem about antechamber ÀÌÃ« Óæ (Tue Jan 08 2008 - 10:09:03 CST)
AMBER: solvateBox/solvateDontClip darkcz_at_tlen.pl (Tue Jan 08 2008 - 10:02:19 CST)
Re: AMBER: Torsional Forcing to generate PES? Chris Moth (Tue Jan 08 2008 - 11:08:12 CST)
AMBER: A problem about antechamber ÀÌÃ« Óæ (Tue Jan 08 2008 - 10:03:49 CST)
Re: AMBER: RESP FyD (Tue Jan 08 2008 - 13:49:31 CST)
Re: AMBER: A problem about antechamber Junmei Wang (Tue Jan 08 2008 - 16:19:15 CST)
RE: AMBER: Nudged Elastic Band initial heating problem Ross Walker (Tue Jan 08 2008 - 17:00:59 CST)
AMBER: connectivity problem rams rams (Wed Jan 09 2008 - 08:53:55 CST)
Re: AMBER: connectivity problem Junmei Wang (Wed Jan 09 2008 - 09:51:05 CST)
Re: AMBER: connectivity problem rams rams (Wed Jan 09 2008 - 23:04:41 CST)
Re: AMBER: RESP Syed Tarique Moin (Thu Jan 10 2008 - 00:36:05 CST)
Re: AMBER: RESP FyD (Thu Jan 10 2008 - 01:39:01 CST)
AMBER: The energy minimization of SIngle RNA chain backy (Thu Jan 10 2008 - 02:33:20 CST)
Re: AMBER: RESP Syed Tarique Moin (Thu Jan 10 2008 - 03:15:15 CST)
Re: AMBER: connectivity problem Junmei Wang (Thu Jan 10 2008 - 09:27:07 CST)
AMBER: input options for replica exchange simulations rebeca_at_mmb.pcb.ub.es (Thu Jan 10 2008 - 10:46:42 CST)
Re: AMBER: input options for replica exchange simulations Carlos Simmerling (Thu Jan 10 2008 - 10:57:12 CST)
AMBER: using hydrogen bond facility to monitor ion pair interaction Zhenwei Lu (Thu Jan 10 2008 - 11:09:09 CST)
Re: AMBER: using hydrogen bond facility to monitor ion pair interaction Thomas Cheatham III (Thu Jan 10 2008 - 11:21:10 CST)
Re: AMBER: input options for replica exchange simulations Adrian Roitberg (Thu Jan 10 2008 - 11:28:50 CST)
AMBER: antechamber problem gurpreet singh (Thu Jan 10 2008 - 11:49:15 CST)
Re: AMBER: input options for replica exchange simulations rebeca_at_mmb.pcb.ub.es (Thu Jan 10 2008 - 12:00:10 CST)
Re: AMBER: using hydrogen bond facility to monitor ion pair interaction Zhenwei Lu (Thu Jan 10 2008 - 12:16:57 CST)
Re: AMBER: antechamber problem Junmei Wang (Thu Jan 10 2008 - 12:29:23 CST)
Re: AMBER: input options for replica exchange simulations Carlos Simmerling (Thu Jan 10 2008 - 14:50:18 CST)
AMBER: ANTECHAMBER NAMING Shozeb Haider (Thu Jan 10 2008 - 15:19:18 CST)
Re: AMBER: ANTECHAMBER NAMING David A. Case (Thu Jan 10 2008 - 21:32:30 CST)
Re: AMBER: antechamber problem gurpreet singh (Thu Jan 10 2008 - 22:05:38 CST)
Re: AMBER: ANTECHAMBER NAMING FyD (Fri Jan 11 2008 - 01:53:04 CST)
AMBER: graphite Boutheina Kerkeni (Fri Jan 11 2008 - 05:26:58 CST)
AMBER: chromophore parameters for Molecular Dynamics Anthony Cruz (Fri Jan 11 2008 - 09:32:31 CST)
AMBER: problems with restart of MD Vijay Singh (Fri Jan 11 2008 - 11:29:31 CST)
Re: AMBER: problems with restart of MD Age.Skjevik_at_student.uib.no (Fri Jan 11 2008 - 12:16:00 CST)
RE: AMBER: problems with restart of MD Pankaj R. Daga (Fri Jan 11 2008 - 12:34:13 CST)
RE: AMBER: problems with restart of MD Ross Walker (Fri Jan 11 2008 - 13:56:16 CST)
AMBER: Visualizing Electrostatic Potential Seth Lilavivat (Fri Jan 11 2008 - 13:57:31 CST)
Re: AMBER: problems with restart of MD Vijay Singh (Fri Jan 11 2008 - 14:04:39 CST)
Re: AMBER: chromophore parameters for Molecular Dynamics FyD (Fri Jan 11 2008 - 14:57:19 CST)
AMBER: Amber DNA Model for X-ray Crystallography Hopkins, Robert (Fri Jan 11 2008 - 17:32:00 CST)
Re: AMBER: offset residue numbering David A. Case (Sat Jan 12 2008 - 01:10:08 CST)
AMBER: Unable to create the top & crd files for a protein+ligand pdb structure abiram abiram (Sat Jan 12 2008 - 01:54:01 CST)
Re: AMBER: Unable to create the top & crd files for a protein+ligand pdb structure Jiten (Sat Jan 12 2008 - 02:21:01 CST)
Re: AMBER: problems with restart of MD Vijay Singh (Sat Jan 12 2008 - 03:48:39 CST)
AMBER: connectivity lose during the minimizations rams rams (Sat Jan 12 2008 - 05:40:21 CST)
Re: AMBER: connectivity lose during the minimizations David A. Case (Sat Jan 12 2008 - 14:28:37 CST)
AMBER: build RNA by nucgen Å·ÑôµÂ·½ (Sat Jan 12 2008 - 20:26:44 CST)
AMBER: problem:capping jani sahil (Sat Jan 12 2008 - 20:53:24 CST)
RE: AMBER: problems with restart of MD Ross Walker (Sat Jan 12 2008 - 20:58:20 CST)
AMBER: problem in neturalization jani sahil (Sat Jan 12 2008 - 21:27:31 CST)
AMBER: Distorsion in protein and ligand during MD Francesco Pietra (Sun Jan 13 2008 - 03:46:23 CST)
AMBER: Fwd: Distorsion in protein and ligand during MD Francesco Pietra (Sun Jan 13 2008 - 03:57:43 CST)
Re: AMBER: problems with restart of MD Vijay Singh (Sun Jan 13 2008 - 09:45:25 CST)
Re: AMBER: problem:capping David A. Case (Sun Jan 13 2008 - 11:10:55 CST)
Re: AMBER: build RNA by nucgen David A. Case (Sun Jan 13 2008 - 11:56:32 CST)
RE: AMBER: problems with restart of MD Yong Duan (Sun Jan 13 2008 - 12:08:52 CST)
Re: AMBER: problems with restart of MD Vijay Singh (Sun Jan 13 2008 - 13:53:11 CST)
AMBER: ELAN_EXCEPTION @ --: 6 (Initialisation error) ELAN_EXCEPTION @ --: 6 (Initialisation error) Neko Maryam. (Sun Jan 13 2008 - 23:44:10 CST)
Re: AMBER: ELAN_EXCEPTION @ --: 6 (Initialisation error) ELAN_EXCEPTION @ --: 6 (Initialisation error) David A. Case (Mon Jan 14 2008 - 00:16:31 CST)
Re: AMBER: ELAN_EXCEPTION @ --: 6 (Initialisation error) ELAN_EXCEPTION @ --: 6 (Initialisation error) Neko Maryam. (Mon Jan 14 2008 - 00:23:58 CST)
AMBER: Amber : neutralizing without adding ions jani sahil (Mon Jan 14 2008 - 05:43:01 CST)
AMBER: pmemd 9.0 compilation error Raphael Chaleil (Mon Jan 14 2008 - 08:38:12 CST)
Re: AMBER: pmemd 9.0 compilation error Robert Duke (Mon Jan 14 2008 - 09:19:51 CST)
AMBER: QM/MM Heating Steven Winfield (Mon Jan 14 2008 - 09:22:27 CST)
Re: AMBER: Amber : neutralizing without adding ions Lars Skjærven (Mon Jan 14 2008 - 09:41:55 CST)
AMBER: Disturb you for help! ÀÌÃ« Óæ (Mon Jan 14 2008 - 10:16:37 CST)
RE: AMBER: problems with restart of MD Yong Duan (Mon Jan 14 2008 - 12:16:24 CST)
RE: AMBER: Disturb you for help! Yong Duan (Mon Jan 14 2008 - 14:06:11 CST)
AMBER: running AMBER in NAMD Trucated Octahedron Seth Lilavivat (Mon Jan 14 2008 - 16:19:05 CST)
Re: AMBER: running AMBER in NAMD Trucated Octahedron Jojart Balazs (Mon Jan 14 2008 - 16:31:05 CST)
AMBER: Using VMD to calculate end-to-end distance? Lili Peng (Mon Jan 14 2008 - 16:41:55 CST)
»Ø¸´£º RE: AMBER: Disturb you for help !?= ÀÌÃ« Óæ (Mon Jan 14 2008 - 18:12:27 CST)
Re: AMBER: Using VMD to calculate end-to-end distance? Keith Van Nostrand (Mon Jan 14 2008 - 21:35:42 CST)
AMBER: RE: »Ø¸´£º RE: AMBER: Disturb you for help !?= Yong Duan (Mon Jan 14 2008 - 22:14:26 CST)
»Ø¸´£º AMBER: RE: »Ø¸´£º RE: AMBER: Disturb you for help !?= ÀÌÃ« Óæ (Mon Jan 14 2008 - 23:33:49 CST)
AMBER: RE: »Ø¸´£º AMBER: RE: »Ø¸´£º RE: AMBER: Disturb you for help !?= Yong Duan (Tue Jan 15 2008 - 01:40:39 CST)
AMBER: How to build a dimer using amber Reena ..... (Tue Jan 15 2008 - 01:19:45 CST)
Re: AMBER: How to build a dimer using amber David A. Case (Tue Jan 15 2008 - 01:51:50 CST)
Re: AMBER: How to build a dimer using amber Reena ..... (Tue Jan 15 2008 - 03:31:24 CST)
Re: AMBER: How to build a dimer using amber Reena ..... (Tue Jan 15 2008 - 03:29:03 CST)
AMBER: NPT to NVT Age.Skjevik_at_student.uib.no (Tue Jan 15 2008 - 07:58:22 CST)
AMBER: Regarding neutral Arginine unit jani sahil (Tue Jan 15 2008 - 10:19:00 CST)
Re: AMBER: Regarding neutral Arginine unit Carlos Simmerling (Tue Jan 15 2008 - 10:28:21 CST)
Re: AMBER: How to build a dimer using amber David A. Case (Tue Jan 15 2008 - 11:18:14 CST)
Re: AMBER: ELAN_EXCEPTION @ --: 6 (Initialisation error) ELAN_EXCEPTION @ --: 6 (Initialisation error) Neko Maryam. (Mon Jan 14 2008 - 00:54:28 CST)
»Ø¸´£º AMBER: RE: »Ø¸´£º AMBER: RE: »Ø¸´£º RE: AMBER: Disturb you for help !?= ÀÌÃ« Óæ (Tue Jan 15 2008 - 19:24:30 CST)
AMBER: RE: »Ø¸´£º AMBER: RE: »Ø¸´£º AMBER: RE: »Ø¸´£º RE: AMBER: Disturb you for help !?= Yong Duan (Tue Jan 15 2008 - 22:16:10 CST)
AMBER: Problem with: Increase lastrst in the &cntrl namelist rdauria_at_uci.edu (Tue Jan 15 2008 - 22:46:04 CST)
AMBER: DawsonSean (Wed Jan 16 2008 - 02:52:07 CST)
Re: AMBER: Reena ..... (Wed Jan 16 2008 - 03:07:30 CST)
Re: AMBER: chromophore parameters for Molecular Dynamics Anthony Cruz (Wed Jan 16 2008 - 07:47:42 CST)
Re: AMBER: chromophore parameters for Molecular Dynamics FyD (Wed Jan 16 2008 - 08:59:31 CST)
»Ø¸´£º AMBER: RE: »Ø¸´£º AMBER: RE: »Ø¸´£º AMBER: RE: »Ø¸´£º RE: AMBER: Disturb you for help !?= ÀÌÃ« Óæ (Wed Jan 16 2008 - 08:55:37 CST)
AMBER: Chris Moth (Wed Jan 16 2008 - 09:11:07 CST)
AMBER: RE: »Ø¸´£º AMBER: RE: »Ø¸´£º AMBER: RE: »Ø¸´£º AMBER: RE: »Ø¸´£º RE: AMBER: Disturb you for help !?= Yong Duan (Wed Jan 16 2008 - 10:13:15 CST)
Re: AMBER: Problem with: Increase lastrst in the &cntrl namelist David A. Case (Wed Jan 16 2008 - 10:46:35 CST)
AMBER: Help in radii snoze pa (Wed Jan 16 2008 - 11:08:59 CST)
Re: AMBER: Help in radii snoze pa (Wed Jan 16 2008 - 11:45:20 CST)
Re: AMBER: Problem with: Increase lastrst in the &cntrl namelist rdauria_at_uci.edu (Wed Jan 16 2008 - 12:19:27 CST)
Re: AMBER: Help in radii FyD (Wed Jan 16 2008 - 14:31:07 CST)
AMBER: diblock copolymer Z Insepov (Thu Jan 17 2008 - 09:27:47 CST)
»Ø¸´£º AMBER: RE: »Ø¸´£º AMBER: RE: »Ø¸´£º AMBER: RE: »Ø¸´£º AMBER: RE: »Ø¸´£º RE: AMBER: Disturb you for help !?= ÀÌÃ« Óæ (Thu Jan 17 2008 - 09:33:28 CST)
AMBER: Re: timestep problem Andrey Semichaevsky (Thu Jan 17 2008 - 12:24:00 CST)
Re: AMBER: Re: timestep problem David A. Case (Thu Jan 17 2008 - 14:27:56 CST)
AMBER: PEO-PLA/PCE Z Insepov (Thu Jan 17 2008 - 14:19:47 CST)
AMBER: GAFF atom types for flavin (again) Hans Martin Senn (Thu Jan 17 2008 - 14:47:54 CST)
AMBER: problems of antechamber liu junjun (Thu Jan 17 2008 - 20:15:54 CST)
AMBER: NMR refinement Wenyong Tong (Thu Jan 17 2008 - 20:54:04 CST)
Re: AMBER: problems of antechamber Junmei Wang (Thu Jan 17 2008 - 23:24:52 CST)
Re: AMBER: GAFF atom types for flavin (again) Junmei Wang (Thu Jan 17 2008 - 23:21:21 CST)
AMBER: Tinker 4.3 Paulo Couto (Fri Jan 18 2008 - 09:22:25 CST)
Re: AMBER: Tinker 4.3 David A. Case (Fri Jan 18 2008 - 11:07:50 CST)
Re: AMBER: NMR refinement David A. Case (Fri Jan 18 2008 - 11:11:54 CST)
Re: AMBER: NMR refinement David A. Case (Fri Jan 18 2008 - 11:35:37 CST)
Re: AMBER: PEO-PLA/PCE FyD (Fri Jan 18 2008 - 14:42:06 CST)
AMBER: about AM1-BCC in antechamber Shun Zhu (Fri Jan 18 2008 - 16:06:30 CST)
Re: AMBER: about AM1-BCC in antechamber David Mobley (Fri Jan 18 2008 - 16:21:44 CST)
Re: AMBER: NMR refinement Wenyong Tong (Fri Jan 18 2008 - 22:18:18 CST)
AMBER: A problem to loadup the molecular in the xleap ÀÌÃ« Óæ (Fri Jan 18 2008 - 23:28:02 CST)
Re: AMBER: about AM1-BCC in antechamber Junmei Wang (Fri Jan 18 2008 - 23:31:06 CST)
RE: AMBER: A problem to loadup the molecular in the xleap Yong Duan (Sat Jan 19 2008 - 00:17:35 CST)
AMBER: RMSD calculation using AMBER7 Biman Jana (Sat Jan 19 2008 - 07:16:46 CST)
Re: AMBER: RMSD calculation using AMBER7 Carlos Simmerling (Sat Jan 19 2008 - 08:19:45 CST)
»Ø¸´£º RE: AMBER: A problem to loadup the molecular in the xleap ÀÌÃ« Óæ (Sat Jan 19 2008 - 10:31:05 CST)
Re: ?????? RE: AMBER: A problem to loadup the molecular in the xleap David A. Case (Sat Jan 19 2008 - 12:17:16 CST)
Re: AMBER: NMR refinement David A. Case (Sat Jan 19 2008 - 12:39:08 CST)
AMBER: RE: »Ø¸´£º RE: AMBER: A problem to loadup the molecular in the xleap Yong Duan (Sat Jan 19 2008 - 14:44:25 CST)
Re: AMBER: problems of antechamber liu junjun (Sun Jan 20 2008 - 09:21:49 CST)
AMBER: problem with group input Ed Pate (Mon Jan 21 2008 - 00:53:28 CST)
AMBER: Atomic restraints Marie Brut (Mon Jan 21 2008 - 07:34:42 CST)
Re: AMBER: QM/MM Heating Steven Winfield (Mon Jan 21 2008 - 07:48:22 CST)
Re: AMBER: problem with group input anna.schrey_at_gmx.de (Mon Jan 21 2008 - 08:22:48 CST)
Re: AMBER: QM/MM Heating Adrian Roitberg (Mon Jan 21 2008 - 10:13:18 CST)
RE: AMBER: QM/MM Heating Ross Walker (Mon Jan 21 2008 - 10:41:31 CST)
AMBER: convergence of free energy calculations saurabh agrawal (Tue Jan 22 2008 - 05:54:28 CST)
Re: AMBER: problems of antechamber JunJun Liu (Tue Jan 22 2008 - 08:45:26 CST)
AMBER: BCC charges Thomas Exner (Tue Jan 22 2008 - 09:47:20 CST)
AMBER: Has anyone seen a protein fall apart due to PBCs? David Cerutti (Tue Jan 22 2008 - 10:10:10 CST)
Re: AMBER: Has anyone seen a protein fall apart due to PBCs? Thomas Cheatham III (Tue Jan 22 2008 - 10:37:03 CST)
RE: AMBER: BCC charges Ross Walker (Tue Jan 22 2008 - 11:16:05 CST)
RE: AMBER: Has anyone seen a protein fall apart due to PBCs? Irene Newhouse (Tue Jan 22 2008 - 11:28:44 CST)
Re: AMBER: about AM1-BCC in antechamber Shun Zhu (Tue Jan 22 2008 - 11:38:01 CST)
Re: AMBER: about AM1-BCC in antechamber Junmei Wang (Tue Jan 22 2008 - 11:56:55 CST)
Re: AMBER: about AM1-BCC in antechamber Shun Zhu (Tue Jan 22 2008 - 12:09:49 CST)
Re: AMBER: Has anyone seen a protein fall apart due to PBCs? Melinda Layten (Tue Jan 22 2008 - 12:43:23 CST)
Re: AMBER: Has anyone seen a protein fall apart due to PBCs? David Cerutti (Tue Jan 22 2008 - 13:13:42 CST)
AMBER: Systematic drift Francesco Pietra (Tue Jan 22 2008 - 16:06:46 CST)
AMBER: Installing OpenMPI Hopkins, Robert (Tue Jan 22 2008 - 17:57:49 CST)
AMBER: collision with surface Z Insepov (Tue Jan 22 2008 - 18:25:55 CST)
Re: AMBER: diblock copolymer Jed W Pitera (Tue Jan 22 2008 - 19:01:03 CST)
RE: AMBER: Has anyone seen a protein fall apart due to PBCs? Yong Duan (Tue Jan 22 2008 - 21:20:41 CST)
Re: AMBER: diblock copolymer Z Insepov (Tue Jan 22 2008 - 23:23:39 CST)
AMBER: Re: Systematic drift Francesco Pietra (Wed Jan 23 2008 - 01:23:07 CST)
Re: AMBER: BCC charges Thomas Exner (Wed Jan 23 2008 - 04:11:36 CST)
AMBER: Amber 9: Question regarding Test Failures and Compilers Jan Schulze (Wed Jan 23 2008 - 04:01:04 CST)
AMBER: distorted aromatic rings Marc Lindner (Wed Jan 23 2008 - 04:40:20 CST)
AMBER: vlimit exceeded error priya priya (Wed Jan 23 2008 - 05:27:37 CST)
AMBER: ptraj: new mask parser Vlad Cojocaru (Wed Jan 23 2008 - 05:59:24 CST)
Re: AMBER: QM/MM Heating Steven Winfield (Wed Jan 23 2008 - 06:30:11 CST)
AMBER: regarding :scee jani sahil (Wed Jan 23 2008 - 09:50:45 CST)
Re: AMBER: Amber 9: Question regarding Test Failures and Compilers David A. Case (Wed Jan 23 2008 - 10:22:04 CST)
Re: AMBER: distorted aromatic rings David A. Case (Wed Jan 23 2008 - 10:24:15 CST)
Re: AMBER: vlimit exceeded error David A. Case (Wed Jan 23 2008 - 10:29:18 CST)
Re: AMBER: regarding :scee David A. Case (Wed Jan 23 2008 - 10:45:07 CST)
AMBER: tutorial_8_section_6 Urszula Uciechowska (Wed Jan 23 2008 - 11:04:38 CST)
Re: AMBER: Installing OpenMPI David A. Case (Wed Jan 23 2008 - 11:07:46 CST)
AMBER: antechamber run on charged system san_amber roy (Wed Jan 23 2008 - 12:09:34 CST)
Re: AMBER: Installing OpenMPI Francesco Pietra (Wed Jan 23 2008 - 12:18:44 CST)
Re: AMBER: antechamber run on charged system David A. Case (Wed Jan 23 2008 - 12:37:06 CST)
Re: AMBER: antechamber run on charged system snoze pa (Wed Jan 23 2008 - 13:34:04 CST)
AMBER: Units of atomicfluct Lili Peng (Wed Jan 23 2008 - 18:27:16 CST)
Re: AMBER: Installing OpenMPI Hopkins, Robert (Wed Jan 23 2008 - 18:40:22 CST)
Re: AMBER: regarding :scee jani sahil (Wed Jan 23 2008 - 22:37:48 CST)
AMBER: Tough time with antechamber David Cerutti (Thu Jan 24 2008 - 01:29:38 CST)
AMBER: Tough time with antechamber (UPDATE, still need help) David Cerutti (Thu Jan 24 2008 - 02:09:42 CST)
Re: AMBER: mmpbsa binding energy Marc Lindner (Thu Jan 24 2008 - 04:16:23 CST)
Re: AMBER: Tough time with antechamber Junmei Wang (Thu Jan 24 2008 - 09:23:08 CST)
AMBER: Problems in execution of Replica Exchange calculations Amber 9.0 rebeca_at_mmb.pcb.ub.es (Thu Jan 24 2008 - 10:50:22 CST)
AMBER: Help needed to analyze DNA Holliday Junction - Drug Binding MD simulations. Subramanian Arun Kumar (Thu Jan 24 2008 - 11:14:56 CST)
Re: AMBER: ptraj: new mask parser Jianyin Shao (Thu Jan 24 2008 - 11:23:53 CST)
Re: AMBER: Problems in execution of Replica Exchange calculations Amber 9.0 David A. Case (Thu Jan 24 2008 - 11:25:09 CST)
AMBER: NMR refinement Seth Lilavivat (Thu Jan 24 2008 - 11:39:08 CST)
Re: AMBER: Tough time with antechamber David Mobley (Thu Jan 24 2008 - 12:14:42 CST)
AMBER: QM/MM: input conversion error Pankaj R. Daga (Thu Jan 24 2008 - 12:11:36 CST)
Re: AMBER: convergence of free energy calculations David Mobley (Thu Jan 24 2008 - 12:20:35 CST)
Re: AMBER: QM/MM: input conversion error M. L. Dodson (Thu Jan 24 2008 - 12:31:44 CST)
Re: AMBER: ptraj: new mask parser Vlad Cojocaru (Thu Jan 24 2008 - 12:19:25 CST)
Re: AMBER: Tough time with antechamber David A. Case (Thu Jan 24 2008 - 12:42:56 CST)
Re: AMBER: Tough time with antechamber David Cerutti (Thu Jan 24 2008 - 12:55:48 CST)
RE: AMBER: QM/MM: input conversion error Pankaj R. Daga (Thu Jan 24 2008 - 13:05:31 CST)
Re: AMBER: QM/MM: input conversion error M. L. Dodson (Thu Jan 24 2008 - 13:25:03 CST)
Re: AMBER: Tough time with antechamber Junmei Wang (Thu Jan 24 2008 - 17:49:51 CST)
RE: AMBER: QM/MM: input conversion error Ross Walker (Thu Jan 24 2008 - 18:01:43 CST)
AMBER: Number of Hydrogen Bonds? d90223013_at_ntu.edu.tw (Thu Jan 24 2008 - 19:07:39 CST)
RE: AMBER: Number of Hydrogen Bonds? Jiapu.Zhang_at_csiro.au (Thu Jan 24 2008 - 19:35:04 CST)
Re: AMBER: NMR refinement David A. Case (Thu Jan 24 2008 - 20:18:48 CST)
Re: AMBER: Tough time with antechamber David A. Case (Thu Jan 24 2008 - 20:25:33 CST)
Re: AMBER: Number of Hydrogen Bonds? Jack Lei (Fri Jan 25 2008 - 07:20:53 CST)
AMBER: flexible molecule parameterization Zhenwei Lu (Fri Jan 25 2008 - 09:36:46 CST)
AMBER: AMBER installation problem Jun Liu (Fri Jan 25 2008 - 12:59:29 CST)
RE: AMBER: QM/MM: input conversion error Pankaj R. Daga (Fri Jan 25 2008 - 14:11:24 CST)
Re: AMBER: QM/MM: input conversion error M. L. Dodson (Fri Jan 25 2008 - 14:56:38 CST)
RE: AMBER: QM/MM: input conversion error Pankaj R. Daga (Fri Jan 25 2008 - 16:02:47 CST)
RE: AMBER: QM/MM: input conversion error Ross Walker (Fri Jan 25 2008 - 16:48:49 CST)
Re: AMBER: QM/MM: input conversion error David A. Case (Fri Jan 25 2008 - 16:59:35 CST)
Re: AMBER: AMBER installation problem Bertrand P. S. Russell (Sat Jan 26 2008 - 09:53:43 CST)
Re: AMBER: flexible molecule parameterization FyD (Sun Jan 27 2008 - 08:09:37 CST)
AMBER: Reg cysteine protonaitons states in pH constant MD D.Usharani (Sun Jan 27 2008 - 23:15:58 CST)
Re: AMBER: AMBER installation problem Sampath Koppole (Mon Jan 28 2008 - 02:36:27 CST)
AMBER: Why LEap created a new H atom for CYM while generating TOPOLOGY file? Jack Lei (Mon Jan 28 2008 - 06:59:38 CST)
RE: AMBER: Why LEap created a new H atom for CYM while generating TOPOLOGY file? Steve Spronk (Mon Jan 28 2008 - 07:47:39 CST)
Re: AMBER: Why LEap created a new H atom for CYM while generating TOPOLOGY file? Jack Lei (Mon Jan 28 2008 - 08:35:06 CST)
Re: AMBER: AMBER installation problem David A. Case (Mon Jan 28 2008 - 10:06:54 CST)
Re: AMBER: Why LEap created a new H atom for CYM while generating TOPOLOGY file? David A. Case (Mon Jan 28 2008 - 10:11:02 CST)
AMBER: Reference for rmsd Francesco Pietra (Mon Jan 28 2008 - 11:51:02 CST)
AMBER: Back on track Mike Summers (Mon Jan 28 2008 - 19:39:32 CST)
AMBER: How to determine the basic parameters of a Replica Exchange Molecular Dynamics(REMD? d90223013_at_ntu.edu.tw (Tue Jan 29 2008 - 01:35:08 CST)
AMBER: radial distribution function in ptraj Lili Peng (Tue Jan 29 2008 - 03:36:37 CST)
Re: AMBER: How to determine the basic parameters of a Replica Exchange Molecular Dynamics(REMD? Carlos Simmerling (Tue Jan 29 2008 - 06:21:37 CST)
AMBER: Amber parallel version on CPU power of 2 only fatima.chami_at_durham.ac.uk (Tue Jan 29 2008 - 07:38:34 CST)
RE: AMBER: Amber parallel version on CPU power of 2 only Ross Walker (Tue Jan 29 2008 - 08:39:21 CST)
RE: AMBER: QM/MM Heating Ross Walker (Tue Jan 29 2008 - 08:49:48 CST)
RE: AMBER: Amber parallel version on CPU power of 2 only fatima.chami_at_durham.ac.uk (Tue Jan 29 2008 - 12:19:22 CST)
Re: AMBER: Amber parallel version on CPU power of 2 only Robert Duke (Tue Jan 29 2008 - 12:43:03 CST)
Re: AMBER: Amber parallel version on CPU power of 2 only fatima.chami_at_durham.ac.uk (Tue Jan 29 2008 - 15:04:56 CST)
AMBER: problem to compile PMEMD? fatima.chami_at_durham.ac.uk (Tue Jan 29 2008 - 16:45:41 CST)
Re: AMBER: problem to compile PMEMD? Robert Duke (Tue Jan 29 2008 - 17:09:05 CST)
Re: AMBER: problem to compile PMEMD? fatima.chami_at_durham.ac.uk (Tue Jan 29 2008 - 18:10:48 CST)
Re: AMBER: problem to compile PMEMD? Robert Duke (Tue Jan 29 2008 - 20:11:57 CST)
Re: AMBER: problem to compile PMEMD? Robert Duke (Tue Jan 29 2008 - 20:10:49 CST)
AMBER: Reg cysteine protonation states D.Usharani (Tue Jan 29 2008 - 21:58:22 CST)
AMBER: setting periodic box Vijay Manickam Achari (Tue Jan 29 2008 - 22:22:05 CST)
AMBER: Entropy calculation nag raj (Wed Jan 30 2008 - 03:51:26 CST)
AMBER: SANDER BOMB in subroutine nonbond_list Pankaj R. Daga (Wed Jan 30 2008 - 09:13:45 CST)
RE: AMBER: SANDER BOMB in subroutine nonbond_list Ross Walker (Wed Jan 30 2008 - 10:20:51 CST)
AMBER: Amber9 fails test.parallel Marc Cozzi (Wed Jan 30 2008 - 12:58:41 CST)
Re: AMBER: Amber9 fails test.parallel Mark Williamson (Wed Jan 30 2008 - 14:04:31 CST)
Re: AMBER: Back on track David A. Case (Wed Jan 30 2008 - 19:33:46 CST)
AMBER: (no subject) Syed Tarique Moin (Wed Jan 30 2008 - 23:31:24 CST)
Re: AMBER: RESP FyD (Wed Jan 30 2008 - 23:47:38 CST)
AMBER: Entropy calculation nag raj (Thu Jan 31 2008 - 06:47:51 CST)
AMBER: LEAP: solute concentration fatima.chami_at_durham.ac.uk (Thu Jan 31 2008 - 09:12:24 CST)
AMBER: disulfide bridge with ff03ua FF Marcin Krol (Thu Jan 31 2008 - 12:30:56 CST)
AMBER: benchmark walltime to ps/day calculation Andrew Ring (Thu Jan 31 2008 - 14:11:05 CST)
Re: AMBER: benchmark walltime to ps/day calculation Steven Winfield (Thu Jan 31 2008 - 14:34:49 CST)
Re: AMBER: benchmark walltime to ps/day calculation Andrew Ring (Thu Jan 31 2008 - 15:16:22 CST)

Last message date: Wed Dec 31 2008 - 22:47:27 CST
Archived on: Thu Jan 08 2009 - 16:01:46 CST

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