AMBER Archive (2009) - Oct 2009 By Date

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Starting: Thu Oct 01 2009 - 06:31:51 CDT
Ending: Sat Oct 31 2009 - 23:59:38 CDT

Re: [AMBER] trouble using iAPBS Oliver Kuhn (Thu Oct 01 2009 - 06:31:51 CDT)
[AMBER] decomposing energies Beroza, Paul (Thu Oct 01 2009 - 11:15:07 CDT)
[AMBER] Environment Variables in Cygwin Don't Remain Wallace Kunin (Thu Oct 01 2009 - 11:54:29 CDT)
Re: [AMBER] Environment Variables in Cygwin Don't Remain Jack Shultz (Thu Oct 01 2009 - 12:12:19 CDT)
Re: [AMBER] trouble using iAPBS Robert Konecny (Thu Oct 01 2009 - 12:27:42 CDT)
Re: [AMBER] Environment Variables in Cygwin Don't Remain Bill Ross (Thu Oct 01 2009 - 13:57:43 CDT)
[AMBER] method used to determine partial charges? Paul Brandt (Thu Oct 01 2009 - 15:25:54 CDT)
Re: [AMBER] method used to determine partial charges? Jihang Wang (Thu Oct 01 2009 - 15:36:31 CDT)
Re: [AMBER] method used to determine partial charges? Bill Ross (Thu Oct 01 2009 - 16:19:29 CDT)
Re: [AMBER] method used to determine partial charges? Jihang Wang (Thu Oct 01 2009 - 16:28:45 CDT)
[AMBER] Dipole moment visualization. K.R. (Thu Oct 01 2009 - 16:37:29 CDT)
Re: [AMBER] method used to determine partial charges? Bill Ross (Thu Oct 01 2009 - 17:18:01 CDT)
Re: [AMBER] method used to determine partial charges? Jihang Wang (Thu Oct 01 2009 - 17:26:24 CDT)
Re: [AMBER] method used to determine partial charges? Carlos Simmerling (Thu Oct 01 2009 - 17:30:21 CDT)
Re: [AMBER] method used to determine partial charges? Jihang Wang (Thu Oct 01 2009 - 17:42:38 CDT)
[AMBER] red problem James Moore (Thu Oct 01 2009 - 20:52:46 CDT)
[AMBER] Protein and charged surface rrd (Thu Oct 01 2009 - 22:49:18 CDT)
Re: [AMBER] method used to determine partial charges? FyD (Thu Oct 01 2009 - 23:27:13 CDT)
Re: [AMBER] red problem FyD (Thu Oct 01 2009 - 23:48:57 CDT)
[AMBER] Different optimized structures with HF and B3LYP Sanghwa Han (Fri Oct 02 2009 - 02:50:10 CDT)
Re: [AMBER] Different optimized structures with HF and B3LYP Karl Kirschner (Fri Oct 02 2009 - 03:07:08 CDT)
[AMBER] MM_PBSA decomposition pair question Rubben Torella (Fri Oct 02 2009 - 06:09:38 CDT)
[AMBER] minimization error balaji nagarajan (Fri Oct 02 2009 - 06:42:54 CDT)
Re: [AMBER] minimization error case (Fri Oct 02 2009 - 07:00:52 CDT)
Re: [AMBER] Compiling Amber with gfortran-4.5.0 on a mac case (Fri Oct 02 2009 - 08:19:11 CDT)
Re: [AMBER] Compiling Amber with gfortran-4.5.0 on a mac Ben Roberts (Fri Oct 02 2009 - 09:20:47 CDT)
[AMBER] Missing X11 Libraries Wallace Kunin (Fri Oct 02 2009 - 11:43:59 CDT)
[AMBER] Re: Missing X11 Libraries Wallace Kunin (Fri Oct 02 2009 - 11:55:34 CDT)
[AMBER] RMSD vs time and RMSD vs residues Olotu Odunayo (Fri Oct 02 2009 - 12:40:40 CDT)
Re: [AMBER] RMSD vs time and RMSD vs residues Luis Gracia (Fri Oct 02 2009 - 13:07:10 CDT)
Re: [AMBER] Missing X11 Libraries case (Fri Oct 02 2009 - 13:56:34 CDT)
Re: [AMBER] RMSD vs time and RMSD vs residues case (Fri Oct 02 2009 - 14:12:23 CDT)
Re: [AMBER] RMSD vs time and RMSD vs residues Sally Pias (Fri Oct 02 2009 - 14:16:33 CDT)
Re: [AMBER] Missing X11 Libraries Wallace Kunin (Fri Oct 02 2009 - 14:57:49 CDT)
[AMBER] probelm-APBS Rilei Yu (Sat Oct 03 2009 - 00:41:07 CDT)
Re: [AMBER] Missing X11 Libraries Wallace Kunin (Sat Oct 03 2009 - 12:02:05 CDT)
[AMBER] File format for reading in charges in antechamber Dean Cuebas (Sun Oct 04 2009 - 15:20:42 CDT)
[AMBER] MMPBSA: No radius found for F Jeff Yeo (Sun Oct 04 2009 - 19:10:12 CDT)
Re: [AMBER] probelm-APBS Robert Konecny (Sun Oct 04 2009 - 19:20:18 CDT)
Re: [AMBER] probelm-APBS Rilei Yu (Sun Oct 04 2009 - 19:51:10 CDT)
[AMBER] TiO2 modeling stefano_elli_at_libero.it (Mon Oct 05 2009 - 11:00:59 CDT)
[AMBER] R.E.D.-III.3 tools release - q4md-forcefieldtools.org FyD (Sun Oct 04 2009 - 09:37:06 CDT)
[AMBER] pucker calculation for six member rings Ganesh Kamath (Mon Oct 05 2009 - 13:03:15 CDT)
[AMBER] new process_mdout.pl script???? Dean Cuebas (Mon Oct 05 2009 - 13:11:49 CDT)
RE: [AMBER] new process_mdout.pl script???? Ross Walker (Mon Oct 05 2009 - 13:38:17 CDT)
[AMBER] MM/PBSA: NaN, Infinity and ************* in snapshot_com.all.out Jeff Yeo (Mon Oct 05 2009 - 18:22:53 CDT)
[AMBER] MM_PBSA: abnormal VDW interaction energy LIU Huanxiang (Mon Oct 05 2009 - 21:43:21 CDT)
Re: [AMBER] MM/PBSA: NaN, Infinity and ************* in snapshot_com.all.out Rubben Torella (Tue Oct 06 2009 - 02:56:18 CDT)
Re: [AMBER] MM_PBSA: abnormal VDW interaction energy steinbrt_at_rci.rutgers.edu (Tue Oct 06 2009 - 03:09:27 CDT)
[AMBER] mm_pbsa- Decomposition: bad atom type Antonija TomiÄ‡ (Tue Oct 06 2009 - 08:53:25 CDT)
[AMBER] Problem with memory in nmode analysis Alireza Shaneh (Tue Oct 06 2009 - 10:23:55 CDT)
Re: [AMBER] Compiling Amber with gfortran-4.5.0 on a mac Mengjuei Hsieh (Tue Oct 06 2009 - 21:05:54 CDT)
Re: [AMBER] MM_PBSA: abnormal VDW interaction energy LIU Huanxiang (Tue Oct 06 2009 - 21:54:49 CDT)
Re: [AMBER] DMF solvent box Abhishek Banerjee (Tue Oct 06 2009 - 23:10:22 CDT)
[AMBER] using RESP program gunajyoti das (Wed Oct 07 2009 - 05:30:27 CDT)
Re: [AMBER] using RESP program Ganesh Kamath (Wed Oct 07 2009 - 05:36:13 CDT)
[AMBER] Re: Fw: Help required in Amber10 Installation Sudeep Narayan Banerjee (Wed Oct 07 2009 - 10:48:02 CDT)
Re: [AMBER] Re: Fw: Help required in Amber10 Installation David Watson (Wed Oct 07 2009 - 10:53:26 CDT)
Re: [AMBER] Using idecomp=3 with igb=10 (PB) Chris Whittleston (Wed Oct 07 2009 - 11:57:25 CDT)
Re: [AMBER] Re: Fw: Help required in Amber10 Installation Bill Ross (Wed Oct 07 2009 - 11:59:21 CDT)
Re: [AMBER] Re: Fw: Help required in Amber10 Installation Chris Whittleston (Wed Oct 07 2009 - 12:48:18 CDT)
Re: [AMBER] Missing X11 Libraries Wallace Kunin (Wed Oct 07 2009 - 13:04:39 CDT)
Re: [AMBER] using RESP program FyD (Wed Oct 07 2009 - 15:04:38 CDT)
Re: [AMBER] Missing X11 Libraries Mengjuei Hsieh (Wed Oct 07 2009 - 15:19:20 CDT)
Re: [AMBER] DMF solvent box FyD (Wed Oct 07 2009 - 15:34:35 CDT)
Re: [AMBER] Missing X11 Libraries FyD (Wed Oct 07 2009 - 15:45:34 CDT)
Re: [AMBER] Missing X11 Libraries Wallace Kunin (Wed Oct 07 2009 - 16:10:34 CDT)
Re: [AMBER] Missing X11 Libraries Thomas Patko (Wed Oct 07 2009 - 16:14:15 CDT)
[AMBER] Combine and rename group of residues in xleap Lili Peng (Wed Oct 07 2009 - 16:49:23 CDT)
Re: [AMBER] Missing X11 Libraries Bill Ross (Wed Oct 07 2009 - 17:28:34 CDT)
[AMBER] The hydrophobic contribution Rilei Yu (Thu Oct 08 2009 - 00:48:32 CDT)
Re: [AMBER] solvent accessible surface area Siddharth Rastogi (Thu Oct 08 2009 - 04:54:01 CDT)
[AMBER] solvent accessible surface area Siddharth Rastogi (Thu Oct 08 2009 - 05:02:20 CDT)
Re: [AMBER] Using idecomp=3 with igb=10 (PB) Chris Whittleston (Thu Oct 08 2009 - 05:47:22 CDT)
Re: [AMBER] The hydrophobic contribution case (Thu Oct 08 2009 - 07:41:28 CDT)
Re: [AMBER] Missing X11 Libraries Wallace Kunin (Thu Oct 08 2009 - 12:09:55 CDT)
Re: [AMBER] Missing X11 Libraries Bill Ross (Thu Oct 08 2009 - 12:25:32 CDT)
Re: [AMBER] Missing X11 Libraries Thomas Patko (Thu Oct 08 2009 - 12:26:26 CDT)
Re: [AMBER] solvent accessible surface area Ray Luo (Thu Oct 08 2009 - 13:17:09 CDT)
[AMBER] Fwd: Group specification Pavan G (Thu Oct 08 2009 - 13:30:09 CDT)
Re: [AMBER] Fwd: Group specification Carlos Simmerling (Thu Oct 08 2009 - 13:35:43 CDT)
Re: [AMBER] Fwd: Group specification Bill Ross (Thu Oct 08 2009 - 15:15:44 CDT)
Re: [AMBER] Fwd: Group specification Bill Ross (Thu Oct 08 2009 - 15:22:54 CDT)
Re: [AMBER] Using idecomp=3 with igb=10 (PB) Hannes Kopitz (Thu Oct 08 2009 - 15:30:19 CDT)
[AMBER] RE: VDW and TI for free energy Ross Walker (Thu Oct 08 2009 - 19:43:48 CDT)
[AMBER] ff03 parameter for GDP and GTP mmg8_at_ualberta.ca (Thu Oct 08 2009 - 20:05:18 CDT)
Re: [AMBER] DMF solvent box Abhishek Banerjee (Thu Oct 08 2009 - 22:41:02 CDT)
Re: [AMBER] DMF solvent box FyD (Thu Oct 08 2009 - 23:08:59 CDT)
[AMBER] Some queries about pH simulation nicholus bhattacharjee (Thu Oct 08 2009 - 23:36:56 CDT)
[AMBER] DG improper torsion problem, two missing parameters Youn Kyeung Lee (Fri Oct 09 2009 - 02:02:03 CDT)
Re: [AMBER] ff03 parameter for GDP and GTP FyD (Fri Oct 09 2009 - 05:37:40 CDT)
Re: [AMBER] DG improper torsion problem, two missing parameters case (Fri Oct 09 2009 - 06:46:34 CDT)
Re: [AMBER] ff03 parameter for GDP and GTP Carlos Simmerling (Fri Oct 09 2009 - 07:45:04 CDT)
Re: [AMBER] ff03 parameter for GDP and GTP case (Fri Oct 09 2009 - 08:03:02 CDT)
Re: [AMBER] ff03 parameter for GDP and GTP Carlos Simmerling (Fri Oct 09 2009 - 08:09:32 CDT)
[AMBER] Distance Replica Exchange Steve Seibold (Fri Oct 09 2009 - 08:18:44 CDT)
Re: [AMBER] Combine and rename group of residues in xleap case (Fri Oct 09 2009 - 08:32:57 CDT)
Re: [AMBER] Distance Replica Exchange Carlos Simmerling (Fri Oct 09 2009 - 08:40:17 CDT)
RE: [AMBER] Distance Replica Exchange Steve Seibold (Fri Oct 09 2009 - 09:21:13 CDT)
Re: [AMBER] ff03 parameter for GDP and GTP mmg8_at_ualberta.ca (Fri Oct 09 2009 - 09:30:46 CDT)
Re: [AMBER] Using idecomp=3 with igb=10 (PB) Chris Whittleston (Fri Oct 09 2009 - 10:16:53 CDT)
Re: [AMBER] Missing X11 Libraries Wallace Kunin (Fri Oct 09 2009 - 11:59:06 CDT)
Re: [AMBER] Missing X11 Libraries Wallace Kunin (Fri Oct 09 2009 - 12:03:51 CDT)
Re: [AMBER] Missing X11 Libraries Thomas Patko (Fri Oct 09 2009 - 12:13:22 CDT)
Re: [AMBER] DG improper torsion problem, two missing parameters Bill Ross (Fri Oct 09 2009 - 12:25:30 CDT)
Re: [AMBER] Missing X11 Libraries Bill Ross (Fri Oct 09 2009 - 12:52:01 CDT)
Re: [AMBER] Some queries about pH simulation Jason Swails (Fri Oct 09 2009 - 13:48:44 CDT)
Re: [AMBER] Some queries about pH simulation Carlos Simmerling (Fri Oct 09 2009 - 13:59:17 CDT)
Re: [AMBER] Missing X11 Libraries Wallace Kunin (Fri Oct 09 2009 - 14:20:00 CDT)
Re: [AMBER] Missing X11 Libraries case (Fri Oct 09 2009 - 15:02:06 CDT)
Re: [AMBER] Missing X11 Libraries FyD (Fri Oct 09 2009 - 15:35:59 CDT)
Re: [AMBER] ff03 parameter for GDP and GTP FyD (Fri Oct 09 2009 - 15:38:08 CDT)
Re: [AMBER] Missing X11 Libraries Thomas Patko (Fri Oct 09 2009 - 15:53:14 CDT)
Re: [AMBER] Missing X11 Libraries FyD (Fri Oct 09 2009 - 16:06:20 CDT)
Re: [AMBER] Missing X11 Libraries Bill Ross (Fri Oct 09 2009 - 19:24:47 CDT)
[AMBER] The -c option in Sander phani ghanakota (Fri Oct 09 2009 - 19:47:18 CDT)
Re: [AMBER] The -c option in Sander case (Fri Oct 09 2009 - 20:54:05 CDT)
[AMBER] RE: VDW and TI for free energy Qicun Shi (Fri Oct 09 2009 - 21:00:08 CDT)
Re: [AMBER] Some queries about pH simulation nicholus bhattacharjee (Sat Oct 10 2009 - 00:07:21 CDT)
Re: [AMBER] ff03 parameter for GDP and GTP FyD (Sat Oct 10 2009 - 00:52:27 CDT)
[AMBER] decomposition and calculation of entropy Qinghua Liao (Sat Oct 10 2009 - 01:13:49 CDT)
[AMBER] xleap-does not work Rilei Yu (Sat Oct 10 2009 - 03:30:06 CDT)
Re: [AMBER] RE: VDW and TI for free energy steinbrt_at_rci.rutgers.edu (Sat Oct 10 2009 - 03:44:31 CDT)
Re: [AMBER] ff03 parameter for GDP and GTP Carlos Simmerling (Sat Oct 10 2009 - 06:36:35 CDT)
Re: [AMBER] xleap-does not work case (Sat Oct 10 2009 - 07:27:01 CDT)
Re: [AMBER] xleap-does not work Rilei Yu (Sat Oct 10 2009 - 08:35:53 CDT)
Re: [AMBER] xleap-does not work case (Sat Oct 10 2009 - 08:53:57 CDT)
Re: [AMBER] xleap-does not work(Being solved!) Rilei Yu (Sat Oct 10 2009 - 09:13:28 CDT)
Re: [AMBER] xleap-does not work Jason Swails (Sat Oct 10 2009 - 12:08:08 CDT)
Re: [AMBER] RE: VDW and TI for free energy Qicun Shi (Sat Oct 10 2009 - 23:05:20 CDT)
Re: [AMBER] xleap-does not work Rilei Yu (Sun Oct 11 2009 - 06:01:07 CDT)
Re: [AMBER] ff03 parameter for GDP and GTP FyD (Sun Oct 11 2009 - 06:42:25 CDT)
[AMBER] A bug in LEaP ? FyD (Sun Oct 11 2009 - 07:08:37 CDT)
[AMBER] Energy-from-MM/PBSA-VS-experiment Rilei Yu (Sun Oct 11 2009 - 07:53:00 CDT)
Re: [AMBER] Energy-from-MM/PBSA-VS-experiment Jason Swails (Sun Oct 11 2009 - 09:54:08 CDT)
Re: [AMBER] Using idecomp=3 with igb=10 (PB) Hannes Kopitz (Sun Oct 11 2009 - 16:13:45 CDT)
Re: [AMBER] Energy-from-MM/PBSA-VS-experiment Rilei Yu (Sun Oct 11 2009 - 17:51:26 CDT)
[AMBER] S-S problem-in protein Rilei Yu (Sun Oct 11 2009 - 20:53:24 CDT)
Re: [AMBER] S-S problem-in protein Jason Swails (Sun Oct 11 2009 - 21:15:10 CDT)
Re: [AMBER] S-S problem-in protein Jason Swails (Sun Oct 11 2009 - 23:24:51 CDT)
Re: [AMBER] S-S problem-in protein Rilei Yu (Mon Oct 12 2009 - 01:28:14 CDT)
Re: [AMBER] S-S problem-in protein Rilei Yu (Mon Oct 12 2009 - 04:16:15 CDT)
Re: [AMBER] S-S problem-in protein Jason Swails (Mon Oct 12 2009 - 06:23:25 CDT)
[AMBER] unit converter for force constants GÃœL ALTINBAÅž (Mon Oct 12 2009 - 07:22:00 CDT)
[AMBER] unit convertion for force constants GÃœL ALTINBAÅž (Mon Oct 12 2009 - 07:47:42 CDT)
Re: [AMBER] unit convertion for force constants vhakkim boy (Mon Oct 12 2009 - 08:26:05 CDT)
Re: [AMBER] Using idecomp=3 with igb=10 (PB) Chris Whittleston (Mon Oct 12 2009 - 10:56:06 CDT)
[AMBER] OpenMP Ben Roberts (Mon Oct 12 2009 - 12:35:35 CDT)
RE: [AMBER] OpenMP Ross Walker (Mon Oct 12 2009 - 13:29:45 CDT)
[AMBER] Simulating transmembrane protein. Jayalakshmi Sridhar (Mon Oct 12 2009 - 13:42:11 CDT)
[AMBER] Is iwrap mapping water molecules to my protein cavity? ben rodriguez (Mon Oct 12 2009 - 13:55:23 CDT)
Re: [AMBER] Simulating transmembrane protein. Bill Ross (Mon Oct 12 2009 - 14:04:36 CDT)
Re: [AMBER] Is iwrap mapping water molecules to my protein cavity? Bill Ross (Mon Oct 12 2009 - 14:12:19 CDT)
Re: [AMBER] Is iwrap mapping water molecules to my protein cavity? Carlos Simmerling (Mon Oct 12 2009 - 14:28:12 CDT)
Re: [AMBER] Using idecomp=3 with igb=10 (PB) Hannes Kopitz (Mon Oct 12 2009 - 14:51:23 CDT)
Re: [AMBER] Simulating transmembrane protein. Jayalakshmi Sridhar (Mon Oct 12 2009 - 14:57:02 CDT)
Re: [AMBER] nasty memory bug in calculatePrincipalAxis Scott Brozell (Mon Oct 12 2009 - 16:38:06 CDT)
Re: [AMBER] Simulating transmembrane protein. case (Mon Oct 12 2009 - 16:55:42 CDT)
[AMBER] Computing an Hessian matrix using NAB Brut Marie (Mon Oct 12 2009 - 17:12:44 CDT)
Re: [AMBER] S-S problem-in protein Rilei Yu (Mon Oct 12 2009 - 17:14:02 CDT)
Re: [AMBER] Simulating transmembrane protein. Bill Ross (Mon Oct 12 2009 - 17:37:50 CDT)
[AMBER] How to prepare the acetate ion file in leap? xuemeiwang1103 (Tue Oct 13 2009 - 02:05:57 CDT)
Re: [AMBER] How to prepare the acetate ion file in leap? Balazs Jojart (Tue Oct 13 2009 - 02:36:03 CDT)
[AMBER] "Cannot open file ATOMTYPE.INF, exit" when using antechamber haifeng yuan (Tue Oct 13 2009 - 02:44:55 CDT)
[AMBER] iAPBS - how to set the right grid dimensions Oliver Kuhn (Tue Oct 13 2009 - 03:36:27 CDT)
Re: [AMBER] Using idecomp=3 with igb=10 (PB) Chris Whittleston (Tue Oct 13 2009 - 05:02:17 CDT)
Re: [AMBER] Computing an Hessian matrix using NAB case (Tue Oct 13 2009 - 07:13:42 CDT)
Re: [AMBER] iAPBS - how to set the right grid dimensions Robert Konecny (Tue Oct 13 2009 - 09:42:12 CDT)
Re: [AMBER] OpenMP michael (Tue Oct 13 2009 - 09:43:09 CDT)
Re: [AMBER] iAPBS - how to set the right grid dimensions Oliver Kuhn (Tue Oct 13 2009 - 10:17:06 CDT)
Re: [AMBER] iAPBS - how to set the right grid dimensions Robert Konecny (Tue Oct 13 2009 - 12:12:04 CDT)
Re: [AMBER] Computing an Hessian matrix using NAB Brut Marie (Tue Oct 13 2009 - 13:56:19 CDT)
Re: [AMBER] Computing an Hessian matrix using NAB Brut Marie (Tue Oct 13 2009 - 14:00:53 CDT)
[AMBER] LES and NEB problem Rima Chaudhuri (Tue Oct 13 2009 - 14:35:37 CDT)
[AMBER] mean square displacment Nancy (Tue Oct 13 2009 - 18:59:15 CDT)
Re: [AMBER] mean square displacment Bill Ross (Tue Oct 13 2009 - 19:09:49 CDT)
[Amber]AMBER: MM_PBSA problems in AMBER10 He Hongqing (Tue Oct 13 2009 - 22:43:57 CDT)
[AMBER] How to add a hydrogen to the residue? xuemeiwang1103 (Tue Oct 13 2009 - 22:57:53 CDT)
å›žå¤ï¼š [Amber]AMBER: MM_PBSA problems in AMBER10 Rilei Yu (Wed Oct 14 2009 - 00:47:02 CDT)
Re: å›žå¤ï¼š [Amber]AMBER: MM_PBSA problems in AMBER10 He Hongqing (Wed Oct 14 2009 - 02:32:25 CDT)
Re: å›žå¤ï¼š [Amber]AMBER: MM_PBSA problems in AMBER10 Rilei Yu (Wed Oct 14 2009 - 03:18:34 CDT)
Re: Re: å›žå¤ï¼š [Amber]AMBER: MM_PBSA problemsin AMBER10 He Hongqing (Wed Oct 14 2009 - 03:39:33 CDT)
Re: Re: å›žå¤ï¼š [Amber]AMBER: MM_PBSA problemsin AMBER10 Qinghua Liao (Wed Oct 14 2009 - 04:22:41 CDT)
Re: [AMBER] "Cannot open file ATOMTYPE.INF, exit" when using antechamber case (Wed Oct 14 2009 - 06:37:35 CDT)
Re: [AMBER] How to add a hydrogen to the residue? case (Wed Oct 14 2009 - 06:51:08 CDT)
[AMBER] Add the hydrogen to the carboxyl of the GLU residue? xuemeiwang1103 (Wed Oct 14 2009 - 07:05:48 CDT)
Re: [AMBER] Add the hydrogen to the carboxyl of the GLU residue? Andrew Purkiss-Trew (Wed Oct 14 2009 - 07:19:43 CDT)
[AMBER] ptraj and prmtop Beale, John (Wed Oct 14 2009 - 07:46:11 CDT)
Re: [AMBER] iAPBS - how to set the right grid dimensions Oliver Kuhn (Wed Oct 14 2009 - 08:16:28 CDT)
Re: [AMBER] iAPBS - how to set the right grid dimensions Robert Konecny (Wed Oct 14 2009 - 08:21:07 CDT)
Re: [AMBER] Add the hydrogen to the carboxyl of the GLU residue? FyD (Wed Oct 14 2009 - 08:40:09 CDT)
Re: [AMBER] ptraj and prmtop Carlos Simmerling (Wed Oct 14 2009 - 08:41:04 CDT)
Re: [AMBER] Add the hydrogen to the carboxyl of the GLU residue? Carlos Simmerling (Wed Oct 14 2009 - 08:49:00 CDT)
Re: [AMBER] LES and NEB problem Carlos Simmerling (Wed Oct 14 2009 - 09:14:04 CDT)
[AMBER] six member pucker calculation Ganesh Kamath (Wed Oct 14 2009 - 09:27:24 CDT)
[AMBER] nab normal mode analysis has imaginary frequencies Junmei Wang (Wed Oct 14 2009 - 11:05:06 CDT)
Re: [Amber]AMBER: MM_PBSA problems in AMBER10 Ray Luo (Wed Oct 14 2009 - 11:48:48 CDT)
Re: Re: Re: å›žå¤ï¼š [Amber]AMBER: MM_PBSA problemsin AMBER10 Bill Ross (Wed Oct 14 2009 - 11:56:41 CDT)
Re: [AMBER] nab normal mode analysis has imaginary frequencies case (Wed Oct 14 2009 - 13:34:05 CDT)
[AMBER] installation of Amber on OSX Ramgopal Mettu (Wed Oct 14 2009 - 16:46:59 CDT)
Re: [AMBER] installation of Amber on OSX David Watson (Wed Oct 14 2009 - 17:03:51 CDT)
Re: [AMBER] installation of Amber on OSX case (Wed Oct 14 2009 - 17:10:04 CDT)
Re: [AMBER] installation of Amber on OSX Jason Swails (Wed Oct 14 2009 - 17:41:31 CDT)
[AMBER] Simulated annealing waleed zalloum (Thu Oct 15 2009 - 05:59:29 CDT)
[AMBER] part of the protein escaped from the water box qiaoyan (Thu Oct 15 2009 - 06:33:00 CDT)
Re: [AMBER] part of the protein escaped from the water box Carlos Simmerling (Thu Oct 15 2009 - 06:39:40 CDT)
Re: [AMBER] part of the protein escaped from the water box case (Thu Oct 15 2009 - 06:40:53 CDT)
Re: [AMBER] Simulated annealing Carlos Simmerling (Thu Oct 15 2009 - 06:43:56 CDT)
Re: [AMBER] part of the protein escaped from the water box Jason Swails (Thu Oct 15 2009 - 06:43:00 CDT)
Re: [AMBER] Re: Fw: Help required in Amber10 Installation Sudeep Narayan Banerjee (Thu Oct 15 2009 - 07:11:01 CDT)
Re: [AMBER] Re: Fw: Help required in Amber10 Installation Nicolas Sapay (Thu Oct 15 2009 - 07:34:28 CDT)
[AMBER] Large File Support Beale, John (Thu Oct 15 2009 - 07:40:27 CDT)
Re: [AMBER] Re: Fw: Help required in Amber10 Installation Sudeep Narayan Banerjee (Thu Oct 15 2009 - 07:53:42 CDT)
Re: [AMBER] Re: Fw: Help required in Amber10 Installation Jason Swails (Thu Oct 15 2009 - 07:55:31 CDT)
Re: [AMBER] Re: Fw: Help required in Amber10 Installation Jason Swails (Thu Oct 15 2009 - 08:01:38 CDT)
Re: [AMBER] Re: Fw: Help required in Amber10 Installation Sudeep Narayan Banerjee (Thu Oct 15 2009 - 08:13:27 CDT)
Re: [AMBER] Re: Fw: Help required in Amber10 Installation Sudeep Narayan Banerjee (Thu Oct 15 2009 - 08:30:25 CDT)
Re: [AMBER] Re: Fw: Help required in Amber10 Installation case (Thu Oct 15 2009 - 08:45:42 CDT)
Re: [AMBER] Re: Fw: Help required in Amber10 Installation Abhishek Banerjee (Thu Oct 15 2009 - 10:51:56 CDT)
[AMBER] AMBER 11. Peter Winn (Thu Oct 15 2009 - 11:27:39 CDT)
Re: [AMBER] Re: Fw: Help required in Amber10 Installation Bill Ross (Thu Oct 15 2009 - 11:28:26 CDT)
[AMBER] B-factor Cristina Sisu (Thu Oct 15 2009 - 12:04:25 CDT)
[AMBER] cross correlation analysis with ptraj Junmei Wang (Thu Oct 15 2009 - 11:49:29 CDT)
Re: [AMBER] LES and NEB problem Rima Chaudhuri (Thu Oct 15 2009 - 11:50:08 CDT)
Re: [AMBER] AMBER 11. case (Thu Oct 15 2009 - 11:52:51 CDT)
Re: [AMBER] LES and NEB problem Carlos Simmerling (Thu Oct 15 2009 - 11:54:18 CDT)
Re: [AMBER] LES and NEB problem Rima Chaudhuri (Thu Oct 15 2009 - 12:53:41 CDT)
Re: [AMBER] LES and NEB problem Jason Swails (Thu Oct 15 2009 - 13:09:14 CDT)
Re: [AMBER] LES and NEB problem Carlos Simmerling (Thu Oct 15 2009 - 13:09:34 CDT)
RE: [AMBER] Large File Support Ross Walker (Thu Oct 15 2009 - 13:14:01 CDT)
[AMBER] question with pucker in six member ring Ganesh Kamath (Thu Oct 15 2009 - 14:55:45 CDT)
[AMBER] why is TAUTP scaled by "e" ? Jose Borreguero (Thu Oct 15 2009 - 15:49:18 CDT)
RE: [AMBER] why is TAUTP scaled by "e" ? Ross Walker (Thu Oct 15 2009 - 17:08:52 CDT)
[AMBER] eigenvalues add up to more than trace of matrix Yaw Sing TAN (Thu Oct 15 2009 - 22:14:59 CDT)
[AMBER] How to introduce the second protein molecule into simulation box? Siddharth Rastogi (Fri Oct 16 2009 - 02:00:03 CDT)
[AMBER] Re: AMBER: periodic bondary condition Markus Kaukonen (Fri Oct 16 2009 - 02:38:03 CDT)
[AMBER] binding energy Simon Becker (Fri Oct 16 2009 - 04:28:39 CDT)
Re: [AMBER] binding energy steinbrt_at_rci.rutgers.edu (Fri Oct 16 2009 - 06:27:24 CDT)
[AMBER] MMTSB cluster analysis versus ptraj cluster analysis Cenk \(Jenk\) Andac (Fri Oct 16 2009 - 07:19:24 CDT)
Re: [AMBER] Re: AMBER: periodic bondary condition case (Fri Oct 16 2009 - 08:13:49 CDT)
Re: [AMBER] How to introduce the second protein molecule into simulation box? Jason Swails (Fri Oct 16 2009 - 08:15:57 CDT)
Re: [AMBER] eigenvalues add up to more than trace of matrix Jason Swails (Fri Oct 16 2009 - 08:29:13 CDT)
Re: [AMBER] why is TAUTP scaled by "e" ? case (Fri Oct 16 2009 - 08:30:53 CDT)
Re: [AMBER] eigenvalues add up to more than trace of matrix Hannes Loeffler (Fri Oct 16 2009 - 08:50:50 CDT)
[AMBER] AMBER FF and NAMD stefano_elli\_at_libero\.it (Fri Oct 16 2009 - 09:26:14 CDT)
Re: [AMBER] AMBER FF and NAMD Hannes Loeffler (Fri Oct 16 2009 - 09:45:25 CDT)
[AMBER] Dihedral energy profile in a single molecule Frank X. Vázquez (Fri Oct 16 2009 - 09:55:53 CDT)
Re: [AMBER] AMBER FF and NAMD Nicolas Sapay (Fri Oct 16 2009 - 09:59:53 CDT)
Re: [AMBER] Dihedral energy profile in a single molecule Jason Swails (Fri Oct 16 2009 - 10:02:35 CDT)
Re: [AMBER] question with pucker in six member ring Nicolas Sapay (Fri Oct 16 2009 - 10:04:24 CDT)
Re: [AMBER] MMTSB cluster analysis versus ptraj cluster analysis Thomas Cheatham III (Fri Oct 16 2009 - 10:33:22 CDT)
Re: [AMBER] question with pucker in six member ring Thomas Cheatham III (Fri Oct 16 2009 - 13:23:05 CDT)
Re: [AMBER] question with pucker in six member ring Ganesh Kamath (Fri Oct 16 2009 - 13:36:41 CDT)
Re: [AMBER] question with pucker in six member ring Bill Ross (Fri Oct 16 2009 - 13:43:56 CDT)
Re: [AMBER] why is TAUTP scaled by "e" ? Jose Borreguero (Fri Oct 16 2009 - 14:13:42 CDT)
Re: [AMBER] AMBER FF and NAMD FyD (Fri Oct 16 2009 - 14:19:13 CDT)
Re: [AMBER] question with pucker in six member ring Ganesh Kamath (Fri Oct 16 2009 - 14:31:31 CDT)
Re: [AMBER] Any tutorial on the proper way to merge a ligand and protein? Scott Brozell (Fri Oct 16 2009 - 14:40:56 CDT)
Re: [AMBER] question with pucker in six member ring Bill Ross (Fri Oct 16 2009 - 14:48:04 CDT)
[AMBER] RDC and alignment tensor Eliana Asciutto (Fri Oct 16 2009 - 15:21:34 CDT)
Re: [AMBER] RDC and alignment tensor Thomas Cheatham III (Fri Oct 16 2009 - 15:45:25 CDT)
Re: [AMBER] B-factor Thomas Cheatham III (Fri Oct 16 2009 - 17:16:35 CDT)
Re: [AMBER] MMTSB cluster analysis versus ptraj cluster analysis Cenk \(Jenk\) Andac (Sat Oct 17 2009 - 02:02:20 CDT)
[AMBER] (no subject) Prakash Patodia (Sat Oct 17 2009 - 02:12:39 CDT)
Re: [AMBER] B-factor Cristina Sisu (Sat Oct 17 2009 - 05:58:34 CDT)
[AMBER] Time scale of the Protein domain motion ? Chih-Ying Lin (Sat Oct 17 2009 - 14:18:34 CDT)
Re: [AMBER] Time scale of the Protein domain motion ? Carlos Simmerling (Sat Oct 17 2009 - 14:23:34 CDT)
Re: [AMBER] Time scale of the Protein domain motion ? Chih-Ying Lin (Sat Oct 17 2009 - 14:36:18 CDT)
Re: [AMBER] Time scale of the Protein domain motion ? Carlos Simmerling (Sat Oct 17 2009 - 14:42:01 CDT)
Re: [AMBER] Time scale of the Protein domain motion ? Chih-Ying Lin (Sat Oct 17 2009 - 14:46:37 CDT)
[AMBER] How create PRMTOP and INCPRD for surface? rrd (Sat Oct 17 2009 - 21:40:02 CDT)
[AMBER] how to get hold of older versions of MKL ? Nahoum Anthony (Mon Oct 19 2009 - 03:59:57 CDT)
AW: [AMBER] Add the hydrogen to the carboxyl of the GLU residue? Aust, Susanne (Mon Oct 19 2009 - 04:01:27 CDT)
Re: [AMBER] how to get hold of older versions of MKL ? Jason Swails (Mon Oct 19 2009 - 05:54:45 CDT)
[AMBER] error message from iAPBS Oliver Kuhn (Mon Oct 19 2009 - 06:47:32 CDT)
Re: [AMBER] RDC and alignment tensor Eliana Asciutto (Mon Oct 19 2009 - 11:50:31 CDT)
RE: [AMBER] how to get hold of older versions of MKL ? Ross Walker (Mon Oct 19 2009 - 11:58:54 CDT)
Re: [AMBER] RDC and alignment tensor case (Mon Oct 19 2009 - 12:36:16 CDT)
Re: [AMBER] question with pucker in six member ring Ganesh Kamath (Mon Oct 19 2009 - 12:42:17 CDT)
[AMBER] Re: RDC and alignment tensor Eliana Asciutto (Mon Oct 19 2009 - 12:51:50 CDT)
Re: [AMBER] question with pucker in six member ring Bill Ross (Mon Oct 19 2009 - 12:54:03 CDT)
Re: [AMBER] MMTSB cluster analysis versus ptraj cluster analysis Jianyin Shao (Mon Oct 19 2009 - 13:16:47 CDT)
Re: [AMBER] Re: RDC and alignment tensor case (Mon Oct 19 2009 - 13:22:47 CDT)
Re: [AMBER] RDC and alignment tensor Eliana Asciutto (Mon Oct 19 2009 - 14:03:43 CDT)
Re: [AMBER] MMTSB cluster analysis versus ptraj cluster analysis Cenk \(Jenk\) Andac (Mon Oct 19 2009 - 16:44:42 CDT)
[AMBER] Centering and reimaging with ptraj- stop rotating. ben rodriguez (Mon Oct 19 2009 - 22:00:26 CDT)
Re: [AMBER] Centering and reimaging with ptraj- stop rotating. Thomas Cheatham (Mon Oct 19 2009 - 22:47:07 CDT)
Re: [AMBER] Centering and reimaging with ptraj- stop rotating. Bill Ross (Tue Oct 20 2009 - 00:14:10 CDT)
[AMBER] Error: unable to find mopac charges in mopac.out Rilei Yu (Tue Oct 20 2009 - 00:34:34 CDT)
RE: [AMBER] Error: unable to find mopac charges in mopac.out Ross Walker (Tue Oct 20 2009 - 00:50:17 CDT)
[AMBER] How to create FF for diamond. rrd (Tue Oct 20 2009 - 01:16:07 CDT)
RE: [AMBER] Error: unable to find mopac charges in mopac.out Rilei Yu (Tue Oct 20 2009 - 02:12:19 CDT)
Re: [AMBER] Error: unable to find mopac charges in mopac.out case (Tue Oct 20 2009 - 06:45:59 CDT)
Re: [AMBER] RDC and alignment tensor case (Tue Oct 20 2009 - 07:24:45 CDT)
[AMBER] GAFF parameter stefano_elli\_at_libero\.it (Tue Oct 20 2009 - 08:26:26 CDT)
[AMBER] question with hbond in carnal Ganesh Kamath (Tue Oct 20 2009 - 08:58:36 CDT)
Re: [AMBER] GAFF parameter Jason Swails (Tue Oct 20 2009 - 09:57:09 CDT)
[AMBER] HBOND analysis Marcin Krol (Tue Oct 20 2009 - 10:42:35 CDT)
Re: [AMBER] question with hbond in carnal Bill Ross (Tue Oct 20 2009 - 11:32:56 CDT)
[AMBER] can I run EVB in other ensemble than NVE? Jose Borreguero (Tue Oct 20 2009 - 11:57:04 CDT)
Re: [AMBER] can I run EVB in other ensemble than NVE? case (Tue Oct 20 2009 - 12:08:58 CDT)
[AMBER] man pages? Louis-Frédéric Feuillette (Tue Oct 20 2009 - 12:09:09 CDT)
Re: [AMBER] man pages? Ben Roberts (Tue Oct 20 2009 - 12:33:16 CDT)
RE: [AMBER] GAFF parameter Ross Walker (Tue Oct 20 2009 - 13:50:18 CDT)
Re: [AMBER] man pages? Louis-Frédéric Feuillette (Tue Oct 20 2009 - 15:17:52 CDT)
Re: [AMBER] man pages? Jason Swails (Tue Oct 20 2009 - 16:28:56 CDT)
[AMBER] amber8 pmemd trajectory coordinates problem wong105_at_llnl.gov (Tue Oct 20 2009 - 19:32:24 CDT)
Re: [AMBER] amber8 pmemd trajectory coordinates problem Thomas Cheatham (Tue Oct 20 2009 - 19:39:22 CDT)
Re: [AMBER] amber8 pmemd trajectory coordinates problem Sergio Wong (Tue Oct 20 2009 - 19:49:11 CDT)
Re: [AMBER] amber8 pmemd trajectory coordinates problem Robert Duke (Tue Oct 20 2009 - 20:03:37 CDT)
Re: [AMBER] amber8 pmemd trajectory coordinates problem Robert Duke (Tue Oct 20 2009 - 20:15:56 CDT)
[AMBER] simulation blown up moitrayee_at_mbu.iisc.ernet.in (Tue Oct 20 2009 - 12:41:29 CDT)
Re: [AMBER] simulation blown up Jason Swails (Tue Oct 20 2009 - 21:58:47 CDT)
Re: [AMBER] simulation blown up Robert Duke (Tue Oct 20 2009 - 22:55:39 CDT)
[AMBER] Problem with running anal module in amber moitrayee_at_mbu.iisc.ernet.in (Wed Oct 21 2009 - 01:47:17 CDT)
[AMBER] "extra points" incompatibility with pmemd mousumi (Wed Oct 21 2009 - 02:57:51 CDT)
[AMBER] Can I use other ntb options in constant pH simulation nicholus bhattacharjee (Wed Oct 21 2009 - 04:26:43 CDT)
Re: [AMBER] Can I use other ntb options in constant pH simulation Jason Swails (Wed Oct 21 2009 - 06:42:42 CDT)
Re: [AMBER] "extra points" incompatibility with pmemd Robert Duke (Wed Oct 21 2009 - 07:02:54 CDT)
Re: [AMBER] "extra points" incompatibility with pmemd case (Wed Oct 21 2009 - 07:22:28 CDT)
Re: [AMBER] "extra points" incompatibility with pmemd Brent Krueger (Wed Oct 21 2009 - 07:28:58 CDT)
[AMBER] Why the calculation ofen stop with the calculation process not end? xuemeiwang1103 (Wed Oct 21 2009 - 09:04:57 CDT)
[AMBER] xleap editing window icons inactive Jayalakshmi Sridhar (Wed Oct 21 2009 - 13:20:01 CDT)
RE: [AMBER] xleap editing window icons inactive Niel Henriksen (Wed Oct 21 2009 - 13:21:54 CDT)
[AMBER] Circular RNA topology file Kasprzak, Wojciech (NIH/NCI) [C] (Wed Oct 21 2009 - 13:26:04 CDT)
RE: [AMBER] xleap editing window icons inactive Jayalakshmi Sridhar (Wed Oct 21 2009 - 13:32:46 CDT)
Re: [AMBER] Circular RNA topology file case (Wed Oct 21 2009 - 14:06:17 CDT)
[AMBER] translate multiple residues Taufik Al-Sarraj (Wed Oct 21 2009 - 15:33:12 CDT)
Re: [AMBER] translate multiple residues Bill Ross (Wed Oct 21 2009 - 15:53:20 CDT)
Re: [AMBER] translate multiple residues Taufik Al-Sarraj (Wed Oct 21 2009 - 16:32:30 CDT)
Re: [AMBER] translate multiple residues Bill Ross (Wed Oct 21 2009 - 17:40:51 CDT)
[AMBER] Ptraj Segmentation Fault Katrina Hill (Wed Oct 21 2009 - 21:15:31 CDT)
Re: [AMBER] "extra points" incompatibility with pmemd mousumi (Thu Oct 22 2009 - 00:20:48 CDT)
[AMBER] too many undefined parameters in frcmod xueqin pang (Thu Oct 22 2009 - 03:52:57 CDT)
Re: [AMBER] too many undefined parameters in frcmod FyD (Thu Oct 22 2009 - 04:37:46 CDT)
[AMBER] units of measures lorenzo (Thu Oct 22 2009 - 06:20:26 CDT)
[AMBER] problem with minimization moitrayee_at_mbu.iisc.ernet.in (Thu Oct 22 2009 - 06:01:14 CDT)
Re: [AMBER] too many undefined parameters in frcmod Jason Swails (Thu Oct 22 2009 - 06:59:55 CDT)
Re: [AMBER] units of measures case (Thu Oct 22 2009 - 07:42:11 CDT)
[AMBER] [Fwd: problem with minimization] moitrayee_at_mbu.iisc.ernet.in (Thu Oct 22 2009 - 07:46:32 CDT)
[AMBER] parameters for O2 molecule Jeffrey (Thu Oct 22 2009 - 08:32:07 CDT)
Re: [AMBER] parameters for O2 molecule Jason Swails (Thu Oct 22 2009 - 09:19:51 CDT)
[AMBER] charges for heme-cys in p450 Jayalakshmi Sridhar (Thu Oct 22 2009 - 11:03:08 CDT)
[AMBER] Unable to correctly identify element when running QM/MM in amber10 Jifeng Wang (Thu Oct 22 2009 - 11:20:30 CDT)
Re: [AMBER] [Fwd: problem with minimization] Bill Ross (Thu Oct 22 2009 - 11:49:45 CDT)
RE: [AMBER] Unable to correctly identify element when running QM/MM in amber10 Ross Walker (Thu Oct 22 2009 - 14:03:40 CDT)
[AMBER] XServe cluster Abdul Rehman Gani (Thu Oct 22 2009 - 14:14:36 CDT)
Re: [AMBER] XServe cluster Jim Paugh (Thu Oct 22 2009 - 14:24:37 CDT)
Re: [AMBER] XServe cluster Abdul Rehman Gani (Thu Oct 22 2009 - 14:40:11 CDT)
RE: [AMBER] XServe cluster Richard Owczarzy (Thu Oct 22 2009 - 15:02:24 CDT)
Re: [AMBER] XServe cluster Jim Paugh (Thu Oct 22 2009 - 16:10:49 CDT)
Re: [AMBER] [Fwd: problem with minimization] moitrayee_at_mbu.iisc.ernet.in (Thu Oct 22 2009 - 13:53:11 CDT)
[AMBER] Question about distance restraint ? xuemeiwang1103 (Fri Oct 23 2009 - 05:07:47 CDT)
[AMBER] amber parallel test fail Nahoum Anthony (Fri Oct 23 2009 - 05:20:45 CDT)
Re: [AMBER] Question about distance restraint ? Carlos Simmerling (Fri Oct 23 2009 - 05:56:24 CDT)
Re: [AMBER] charges for heme-cys in p450 FyD (Fri Oct 23 2009 - 05:57:43 CDT)
Re: [AMBER] amber parallel test fail Jason Swails (Fri Oct 23 2009 - 06:58:19 CDT)
[AMBER] software to hydrate protein pockets Vlad Cojocaru (Fri Oct 23 2009 - 07:23:54 CDT)
Re: [AMBER] software to hydrate protein pockets Alessandro Nascimento (Fri Oct 23 2009 - 07:50:05 CDT)
Re: [AMBER] software to hydrate protein pockets Hannes Kopitz (Fri Oct 23 2009 - 08:11:26 CDT)
[AMBER] pmemd ifort problem Sel Ercan (Fri Oct 23 2009 - 09:57:59 CDT)
RE: [AMBER] amber parallel test fail Nahoum Anthony (Fri Oct 23 2009 - 10:12:40 CDT)
Re: [AMBER] pmemd ifort problem Robert Duke (Fri Oct 23 2009 - 10:33:27 CDT)
[AMBER] inhibitor prepin not recognized in xleap Jayalakshmi Sridhar (Fri Oct 23 2009 - 10:56:40 CDT)
[AMBER] inhibitor prepin not recognized in xleap Jayalakshmi Sridhar (Fri Oct 23 2009 - 11:05:46 CDT)
[AMBER] xleap not reconizing inhibitor prepin Jayalakshmi Sridhar (Fri Oct 23 2009 - 11:21:07 CDT)
Re: [AMBER] [Fwd: problem with minimization] Bill Ross (Fri Oct 23 2009 - 12:40:57 CDT)
Re: [AMBER] inhibitor prepin not recognized in xleap Bill Ross (Fri Oct 23 2009 - 13:32:03 CDT)
Re: [AMBER] xleap not reconizing inhibitor prepin Bill Ross (Fri Oct 23 2009 - 13:33:44 CDT)
Re: [AMBER] RDC and alignment tensor Eliana Asciutto (Fri Oct 23 2009 - 14:19:00 CDT)
[AMBER] the criterion of equilibrium qiaoyan (Fri Oct 23 2009 - 21:19:58 CDT)
[AMBER] resp_problem vhakkim boy (Sat Oct 24 2009 - 05:16:22 CDT)
Re: [AMBER] the criterion of equilibrium Bill Ross (Sat Oct 24 2009 - 12:19:09 CDT)
Re: [AMBER] the criterion of equilibrium Adrian Roitberg (Sat Oct 24 2009 - 13:22:25 CDT)
RE: [AMBER] resp_problem Ross Walker (Sat Oct 24 2009 - 17:39:01 CDT)
Re: [AMBER] resp_problem FyD (Sun Oct 25 2009 - 01:12:31 CDT)
[AMBER] A bug in LEaP II ? FyD (Sun Oct 25 2009 - 07:58:36 CDT)
[AMBER] Salt bridge time scale Mannan (Sun Oct 25 2009 - 20:57:20 CDT)
[AMBER] error in AMBer distance constraint xuemeiwang1103 (Sun Oct 25 2009 - 21:24:09 CDT)
Re: [AMBER] error in AMBer distance constraint Carlos Simmerling (Sun Oct 25 2009 - 21:38:23 CDT)
Re: [AMBER] error in AMBer distance constraint Bill Ross (Sun Oct 25 2009 - 22:03:19 CDT)
Re:Re: [AMBER] error in AMBer distance constraint xuemeiwang1103 (Mon Oct 26 2009 - 02:35:08 CDT)
Re: [AMBER] Re: AMBER: periodic bondary condition Markus Kaukonen (Mon Oct 26 2009 - 03:14:48 CDT)
[AMBER] Preparing distance restraints Yunjie Zhao (Mon Oct 26 2009 - 03:44:58 CDT)
Re: [AMBER] Circular RNA topology file Filip Lankas (Mon Oct 26 2009 - 05:13:46 CDT)
Re: [AMBER] too many undefined parameters in frcmod Junmei Wang (Mon Oct 26 2009 - 09:45:04 CDT)
Re: [AMBER] xleap not reconizing inhibitor prepin Junmei Wang (Mon Oct 26 2009 - 09:51:41 CDT)
[AMBER] contradictive hydrogen bonds using ptraj Binbin Liu (Mon Oct 26 2009 - 11:42:20 CDT)
[AMBER] [amber10] atom groups used in torsion constrain Han Zheng (Mon Oct 26 2009 - 13:09:07 CDT)
Re: [AMBER] Preparing distance restraints case (Mon Oct 26 2009 - 16:26:26 CDT)
[AMBER] PEMD Cristina Sisu (Mon Oct 26 2009 - 16:44:42 CDT)
Re: [AMBER] PEMD Tom Joseph (Mon Oct 26 2009 - 18:03:26 CDT)
Re: Re: [AMBER] error in AMBer distance constraint Carlos Simmerling (Tue Oct 27 2009 - 06:28:22 CDT)
[AMBER] Possible bug in "com" group torsion angle constrain? Thanks! Han Zheng (Tue Oct 27 2009 - 12:28:16 CDT)
Re: [AMBER] building quadruplex with NAB Peter Varnai (Tue Oct 27 2009 - 15:00:09 CDT)
RE: [AMBER] Possible bug in "com" group torsion angle constrain? Thanks! Seetin, Matthew (Tue Oct 27 2009 - 16:17:41 CDT)
Re: [AMBER] Possible bug in "com" group torsion angle constrain? Thanks! Han Zheng (Tue Oct 27 2009 - 17:47:20 CDT)
Re: [AMBER] Possible bug in "com" group torsion angle constrain? Thanks! Carlos Simmerling (Tue Oct 27 2009 - 18:22:43 CDT)
Re: [AMBER] building quadruplex with NAB case (Tue Oct 27 2009 - 21:23:29 CDT)
[AMBER] NMR restraint xuemeiwang1103 (Tue Oct 27 2009 - 21:31:39 CDT)
Re: [AMBER] NMR restraint Sally Pias (Tue Oct 27 2009 - 23:32:33 CDT)
[AMBER] Simulated annealing Shaikh Abdul R S Ramaju (Wed Oct 28 2009 - 00:44:33 CDT)
[AMBER] Conversion of Gaussian output file to mol2 megha bajaj (Wed Oct 28 2009 - 02:49:51 CDT)
[AMBER] Conversion of Gaussian output file into mol2 megha bajaj (Wed Oct 28 2009 - 03:00:35 CDT)
Re: [AMBER] Simulated annealing Carlos Simmerling (Wed Oct 28 2009 - 05:51:41 CDT)
[AMBER] error in distance restraint xuemeiwang1103 (Wed Oct 28 2009 - 08:56:48 CDT)
Re: [AMBER] error in distance restraint Adrian Roitberg (Wed Oct 28 2009 - 09:01:07 CDT)
Re: [AMBER] error in distance restraint Carlos Simmerling (Wed Oct 28 2009 - 15:48:13 CDT)
[AMBER] vlimit Taufik Al-Sarraj (Wed Oct 28 2009 - 16:16:32 CDT)
RE: [AMBER] vlimit Ross Walker (Wed Oct 28 2009 - 16:29:21 CDT)
RE: [AMBER] vlimit Bill Ross (Wed Oct 28 2009 - 16:55:55 CDT)
Re: [AMBER] vlimit Taufik Al-Sarraj (Wed Oct 28 2009 - 17:02:43 CDT)
RE: [AMBER] vlimit Ross Walker (Wed Oct 28 2009 - 17:35:15 CDT)
Re:Re: [AMBER] error in distance restraint xuemeiwang1103 (Wed Oct 28 2009 - 22:43:55 CDT)
[AMBER] pairwise per-residue decomposition manoj singh (Wed Oct 28 2009 - 23:34:32 CDT)
[AMBER] Thermodynamic Integration calculation on an artificial anion receptor Huifang (Wed Oct 28 2009 - 23:38:05 CDT)
Re: Re: [AMBER] error in distance restraint Carlos Simmerling (Thu Oct 29 2009 - 05:20:13 CDT)
Re: [AMBER] pairwise per-residue decomposition Carlos Simmerling (Thu Oct 29 2009 - 05:20:55 CDT)
Re: [AMBER] Thermodynamic Integration calculation on an artificial anion receptor steinbrt_at_rci.rutgers.edu (Thu Oct 29 2009 - 05:35:24 CDT)
[AMBER] ligand exiting a protein cavity moitrayee_at_mbu.iisc.ernet.in (Thu Oct 29 2009 - 07:27:58 CDT)
[AMBER] [Fwd: ligand exiting a protein cavity] moitrayee_at_mbu.iisc.ernet.in (Thu Oct 29 2009 - 07:36:13 CDT)
Re: [AMBER] parameters for O2 molecule Jeffrey (Thu Oct 29 2009 - 08:01:44 CDT)
Re: [AMBER] too many undefined parameters in frcmod xueqin pang (Thu Oct 29 2009 - 08:06:24 CDT)
[AMBER] rms fit of mutant with respect to wild type structure Siddharth Rastogi (Thu Oct 29 2009 - 08:55:12 CDT)
Re: [AMBER] rms fit of mutant with respect to wild type structure Carlos Simmerling (Thu Oct 29 2009 - 09:03:35 CDT)
Re: [AMBER] [Fwd: ligand exiting a protein cavity] Kshatresh Dutta Dubey (Thu Oct 29 2009 - 09:44:28 CDT)
Re: [AMBER] [Fwd: ligand exiting a protein cavity] Jason Swails (Thu Oct 29 2009 - 10:17:40 CDT)
Re: [AMBER] Conversion of Gaussian output file into mol2 Junmei Wang (Thu Oct 29 2009 - 10:45:27 CDT)
[AMBER] Parallel sander & polarisability Thomas Taylor (Thu Oct 29 2009 - 11:19:14 CDT)
RE: [AMBER] Parallel sander & polarisability Ross Walker (Thu Oct 29 2009 - 12:00:13 CDT)
Re: [AMBER] Parallel sander & polarisability case (Thu Oct 29 2009 - 12:02:28 CDT)
Re: [AMBER] pairwise per-residue decomposition manoj singh (Thu Oct 29 2009 - 12:32:38 CDT)
[AMBER] Analyzing per-residue decomposition data manoj singh (Thu Oct 29 2009 - 15:18:45 CDT)
Re: [AMBER] pairwise per-residue decomposition Tom Joseph (Thu Oct 29 2009 - 19:30:51 CDT)
[AMBER] stacking clusters Shaikh Abdul R S Ramaju (Thu Oct 29 2009 - 21:44:59 CDT)
[AMBER] some queries on -states flag in constant pH simulation nicholus bhattacharjee (Thu Oct 29 2009 - 23:21:27 CDT)
Re: [AMBER] pairwise per-residue decomposition Tom Joseph (Fri Oct 30 2009 - 00:15:40 CDT)
Re: [AMBER] pairwise per-residue decomposition manoj singh (Fri Oct 30 2009 - 00:46:22 CDT)
Re: [AMBER] [Fwd: ligand exiting a protein cavity] moitrayee_at_mbu.iisc.ernet.in (Fri Oct 30 2009 - 00:43:22 CDT)
[AMBER] Ligand covalent bonds appear to be broken moitrayee_at_mbu.iisc.ernet.in (Fri Oct 30 2009 - 01:32:39 CDT)
[AMBER] Is it the way to do simulation in vacuum nicholus bhattacharjee (Fri Oct 30 2009 - 05:18:45 CDT)
Re: [AMBER] Is it the way to do simulation in vacuum Carlos Simmerling (Fri Oct 30 2009 - 05:21:49 CDT)
[AMBER] SPC/E HOH angle Hemant Kumar (Fri Oct 30 2009 - 05:36:55 CDT)
Re: [AMBER] Is it the way to do simulation in vacuum nicholus bhattacharjee (Fri Oct 30 2009 - 06:11:03 CDT)
Re: [AMBER] Ligand covalent bonds appear to be broken Tom Joseph (Fri Oct 30 2009 - 06:53:44 CDT)
Re: [AMBER] Is it the way to do simulation in vacuum case (Fri Oct 30 2009 - 07:49:46 CDT)
Re: [AMBER] SPC/E HOH angle case (Fri Oct 30 2009 - 07:51:41 CDT)
Re: [AMBER] some queries on -states flag in constant pH simulation Jason Swails (Fri Oct 30 2009 - 08:00:37 CDT)
Re: [AMBER] [Fwd: ligand exiting a protein cavity] Jason Swails (Fri Oct 30 2009 - 08:07:17 CDT)
Re: [AMBER] Ligand covalent bonds appear to be broken Jason Swails (Fri Oct 30 2009 - 08:11:03 CDT)
Re: [AMBER] Is it the way to do simulation in vacuum Carlos Simmerling (Fri Oct 30 2009 - 08:26:20 CDT)
[AMBER] RESP charges with -a and without -a flag Jio M (Fri Oct 30 2009 - 08:36:43 CDT)
Re: [AMBER] SPC/E HOH angle Carlos Simmerling (Fri Oct 30 2009 - 08:47:18 CDT)
Re: [AMBER] [Fwd: ligand exiting a protein cavity] moitrayee_at_mbu.iisc.ernet.in (Fri Oct 30 2009 - 08:42:57 CDT)
Re: [AMBER] Ligand covalent bonds appear to be broken moitrayee_at_mbu.iisc.ernet.in (Fri Oct 30 2009 - 08:43:25 CDT)
Re: [AMBER] Ligand covalent bonds appear to be broken Thomas Cheatham (Fri Oct 30 2009 - 10:48:07 CDT)
Re: [AMBER] Is it the way to do simulation in vacuum Jason Swails (Fri Oct 30 2009 - 11:06:14 CDT)
Re: [AMBER] Is it the way to do simulation in vacuum Carlos Simmerling (Fri Oct 30 2009 - 11:10:22 CDT)
Re: [AMBER] [Fwd: ligand exiting a protein cavity] Jason Swails (Fri Oct 30 2009 - 11:23:29 CDT)
Re: [AMBER] RESP charges with -a and without -a flag Junmei Wang (Fri Oct 30 2009 - 11:49:00 CDT)
Re: [AMBER] pairwise per-residue decomposition Tom Joseph (Fri Oct 30 2009 - 13:18:52 CDT)
Re: [AMBER] pairwise per-residue decomposition manoj singh (Fri Oct 30 2009 - 13:26:14 CDT)
[AMBER] Lennard Jones Potential A and B coefficients in Topology file Peter Schmidtke (Fri Oct 30 2009 - 13:32:32 CDT)
RE: [AMBER] Is it the way to do simulation in vacuum Ross Walker (Fri Oct 30 2009 - 14:15:01 CDT)
Re: [AMBER] Lennard Jones Potential A and B coefficients in Topology file Tom Joseph (Fri Oct 30 2009 - 17:04:43 CDT)
Re: [AMBER] Lennard Jones Potential A and B coefficients in Topology file Peter Schmidtke (Fri Oct 30 2009 - 19:09:46 CDT)
Re: [AMBER] RESP charges with -a and without -a flag Jio M (Sat Oct 31 2009 - 00:13:03 CDT)
[AMBER] Re: (files attached) RESP with -a and witout -a flag Jio M (Sat Oct 31 2009 - 00:17:55 CDT)
Re: [AMBER] Lennard Jones Potential A and B coefficients in Topology file Tom Joseph (Sat Oct 31 2009 - 00:23:03 CDT)
[AMBER] surface binding protein sadaf iqbal (Sat Oct 31 2009 - 00:28:22 CDT)
Re: [AMBER] some queries on -states flag in constant pH simulation nicholus bhattacharjee (Sat Oct 31 2009 - 01:31:31 CDT)
Re: [AMBER] some queries on -states flag in constant pH simulation Jason Swails (Sat Oct 31 2009 - 07:28:22 CDT)
Re: [AMBER] surface binding protein Jason Swails (Sat Oct 31 2009 - 07:35:44 CDT)
[AMBER] Gaussian log file error megha bajaj (Sat Oct 31 2009 - 08:10:22 CDT)
Re: [AMBER] Lennard Jones Potential A and B coefficients in Topology file Tom Joseph (Sat Oct 31 2009 - 09:59:14 CDT)
Re: [AMBER] Lennard Jones Potential A and B coefficients in Topology file Peter Schmidtke (Sat Oct 31 2009 - 10:10:12 CDT)
Re: [AMBER] Lennard Jones Potential A and B coefficients in Topology file Crowley, Michael (Sat Oct 31 2009 - 12:32:12 CDT)
[AMBER] Different results for different computers cyk5056 (Sat Oct 31 2009 - 14:39:59 CDT)
Re: [AMBER] Different results for different computers manoj singh (Sat Oct 31 2009 - 14:47:36 CDT)
Re: [AMBER] Different results for different computers Jason Swails (Sat Oct 31 2009 - 14:57:34 CDT)
Re: [AMBER] Different results for different computers Robert Duke (Sat Oct 31 2009 - 17:56:28 CDT)
Re: [AMBER] pairwise per-residue decomposition manoj singh (Sat Oct 31 2009 - 23:59:38 CDT)

Last message date: Mon Nov 23 2009 - 13:51:08 CST
Archived on: Mon Nov 23 2009 - 13:51:12 CST

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