AMBER Archive (2009) - Oct 2009 By Author

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

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

Last message date: Tue Nov 24 2009 - 16:02:26 CST
Archived on: Tue Nov 24 2009 - 16:02:30 CST