AMBER Archive (2009) - Feb 2009 By Author

Starting: Sun Feb 01 2009 - 01:10:30 CST
Ending: Sat Feb 28 2009 - 18:23:49 CST

• . ..
  • RE: [AMBER] DM complexation (Tue Feb 17 2009 - 09:36:01 CST)
  • [AMBER] DM complexation (Tue Feb 17 2009 - 09:10:49 CST)
  • [AMBER] lmod calculation for complexe (Wed Feb 11 2009 - 03:09:04 CST)
  • [AMBER] Resp charge (Fri Feb 06 2009 - 11:34:12 CST)
  • [AMBER] out error (Tue Feb 03 2009 - 12:58:46 CST)
• ABEL Stephane 175950
  • RE : [AMBER] RED-vIII: Scratch directory for Gaussian [NOT FOUND] (Tue Feb 10 2009 - 08:39:17 CST)
  • RE : [AMBER] script to convert GLYCAM ff in CHARMM format (Fri Feb 06 2009 - 09:03:19 CST)
  • [AMBER] script to convert GLYCAM ff in CHARMM format (Fri Feb 06 2009 - 08:39:04 CST)
• Adrian Roitberg
  • Re: [AMBER] Problem with NVT and NPT (Fri Feb 20 2009 - 07:14:23 CST)
  • Re: [AMBER] IG not change at each restart of NPT simulation (Wed Feb 18 2009 - 08:46:36 CST)
  • Re: [AMBER] Need suggestion on payment for Ph.D student majored in molecular simulation (Tue Feb 17 2009 - 12:57:56 CST)
  • Re: [AMBER] density and volume in NVT ensamble (Fri Feb 06 2009 - 08:31:24 CST)
  • Re: [AMBER] Any link to a major QM code? (Sun Feb 15 2009 - 20:59:01 CST)
  • Re: [AMBER] non bonded parameteters index (Thu Feb 12 2009 - 18:15:33 CST)
  • Re: [AMBER] Stability of a long NPT md trajectory? (Mon Feb 09 2009 - 19:03:45 CST)
  • Re: [AMBER] second derivative matrix (Mon Feb 09 2009 - 08:29:51 CST)
  • Re: [AMBER] DFT SK parameter for P atom (Mon Feb 02 2009 - 14:24:00 CST)
  • Re: [AMBER] precision in the trajectory files (Mon Feb 02 2009 - 08:46:49 CST)
• Adrien Delmont
  • [AMBER] problem about trajectory analysis (Wed Feb 25 2009 - 08:24:41 CST)
  • [AMBER] install Amber 10 to Macbook (Sat Feb 14 2009 - 05:06:50 CST)
• Akansha Saxena
  • [AMBER] New atom type with 7 bonds (Fri Feb 13 2009 - 17:56:47 CST)
• Alessandro Nascimento
  • Re: [AMBER] non bonded parameteters index (Thu Feb 12 2009 - 18:14:44 CST)
• Alexander Schierholt
  • [AMBER] Micelles set-up?? (Tue Feb 03 2009 - 04:09:52 CST)
• amit jain
  • [AMBER] AMBER: chiral restraint on protein (Tue Feb 10 2009 - 18:48:12 CST)
• Andrew Olson
  • [AMBER] (no subject) (Thu Feb 19 2009 - 13:46:24 CST)
  • [AMBER] linux install problem (Thu Feb 19 2009 - 12:44:14 CST)
  • [AMBER] ./configure_amber: line 1211: cd: netcdf/src: No such file or directory (Wed Feb 18 2009 - 11:08:57 CST)
• Andrew Purkiss-Trew
  • Re: [AMBER] density and volume in NVT ensamble (Mon Feb 16 2009 - 08:45:25 CST)
  • Re: [AMBER] density and volume in NVT ensamble (Mon Feb 16 2009 - 08:14:40 CST)
  • Re: [AMBER] parameter files for D-amino acid (Thu Feb 05 2009 - 09:02:25 CST)
• aneesh cna
  • [AMBER] hbond analysis (Mon Feb 09 2009 - 11:55:25 CST)
  • [AMBER] strip frames from crd file (Mon Feb 02 2009 - 03:35:11 CST)
  • [AMBER] strip frames from crd file (Mon Feb 02 2009 - 03:33:16 CST)
• Anselm Horn
  • Re: [AMBER] Error running sander.MPI (Tue Feb 17 2009 - 04:28:47 CST)
• Antonios Samiotakis
  • [AMBER] Question about improper torsions... (Fri Feb 13 2009 - 16:57:03 CST)
  • [AMBER] Langevin dynamics (Mon Feb 02 2009 - 11:54:31 CST)
• Arnaud
  • [AMBER] PMF calculation (Tue Feb 17 2009 - 12:10:18 CST)
• Astrid Maaß
  • [AMBER] extra torsion terms in tleap.top-file (Thu Feb 26 2009 - 08:32:30 CST)
• Atro Tossavainen
  • Re: [AMBER] error in executing sander.MPI in amber9 (Thu Feb 05 2009 - 05:08:59 CST)
  • Re: [AMBER] Test run on Solaris 10 X 86 (Thu Feb 05 2009 - 01:50:12 CST)
  • Re: [AMBER] Test run on Solaris 10 X 86 (Wed Feb 04 2009 - 06:33:25 CST)
  • Re: [AMBER] Test run on Solaris 10 X 86 (Mon Feb 02 2009 - 17:06:49 CST)
  • Re: [AMBER] Test run on Solaris 10 X 86 (Sun Feb 01 2009 - 01:10:30 CST)
• Bala subramanian
  • Re: [AMBER] using Gromacs for analysis (Fri Feb 27 2009 - 12:16:46 CST)
  • Re: [AMBER] hbond analysis (Mon Feb 09 2009 - 12:33:39 CST)
• balaji nagarajan
  • RE: [AMBER] reg.targeted molecular dynamics (Fri Feb 27 2009 - 04:28:02 CST)
  • RE: [AMBER] reg.targeted molecular dynamics (Wed Feb 25 2009 - 03:34:57 CST)
  • RE: [AMBER] reg.targeted molecular dynamics (Wed Feb 25 2009 - 03:18:10 CST)
  • RE: [AMBER] reg.targeted molecular dynamics (Mon Feb 23 2009 - 00:45:18 CST)
  • RE: [AMBER] reg.targeted molecular dynamics (Sun Feb 22 2009 - 08:45:29 CST)
  • [AMBER] reg.targeted molecular dynamics (Fri Feb 20 2009 - 23:10:50 CST)
  • RE: [AMBER] reg.Targeted molecular dynamics (Wed Feb 18 2009 - 08:07:09 CST)
  • [AMBER] reg.Targeted molecular dynamics (Tue Feb 17 2009 - 23:26:49 CST)
  • [AMBER] parallel run error (Tue Feb 17 2009 - 02:19:23 CST)
  • [AMBER] reg . run TMD (Tue Feb 10 2009 - 11:36:28 CST)
• Barbault Florent
  • Re: [AMBER] glycam and solvateoct command (Tue Feb 17 2009 - 14:13:58 CST)
  • Re: [AMBER] Beginner question (Fri Feb 13 2009 - 15:25:13 CST)
• Beale, John
  • [AMBER] H-Bonds (Thu Feb 26 2009 - 08:38:04 CST)
  • [AMBER] ptraj analyze (Wed Feb 25 2009 - 10:56:59 CST)
  • [AMBER] (no subject) (Tue Feb 24 2009 - 05:59:51 CST)
  • [AMBER] secstruct (Thu Feb 19 2009 - 07:22:20 CST)
  • [AMBER] (no subject) (Tue Feb 17 2009 - 07:02:25 CST)
  • [AMBER] H-bond information (Thu Feb 12 2009 - 09:32:30 CST)
  • [AMBER] Radius of Gyration (Mon Feb 02 2009 - 11:34:35 CST)
• ben rodriguez
  • [AMBER] Amber 9 Install - AMBERBUILDFLAGS error (Mon Feb 16 2009 - 21:39:14 CST)
  • [AMBER] Normal errors on job kill? (Mon Feb 16 2009 - 20:35:43 CST)
• Bill K
  • Re: [AMBER] Stability of a long NPT md trajectory? (Tue Feb 10 2009 - 13:39:22 CST)
  • Re: [AMBER] Stability of a long NPT md trajectory? (Tue Feb 10 2009 - 01:37:31 CST)
  • Re: [AMBER] Stability of a long NPT md trajectory? (Mon Feb 09 2009 - 14:56:53 CST)
  • [AMBER] Stability of a long NPT md trajectory? (Mon Feb 09 2009 - 01:07:24 CST)
• Bill Kowallis
  • [AMBER] Re: AMBER: How do you evaluate forces on a fixed atom? (Wed Feb 18 2009 - 19:55:47 CST)
• Bill Ross
  • RE: [AMBER] Compiling Carnal Amber7 in Amber9 (Thu Feb 12 2009 - 14:32:29 CST)
  • RE: [AMBER] Compiling Carnal Amber7 in Amber9 (Wed Feb 11 2009 - 13:04:53 CST)
  • Re: [AMBER] Irregularity in box during md (Tue Feb 10 2009 - 11:24:12 CST)
  • Re: [AMBER] extract frames from a .mdcrd (Fri Feb 06 2009 - 13:13:27 CST)
  • Re: [AMBER] production run terminates due to (*) symbols in xxx.rst (Thu Feb 05 2009 - 11:42:55 CST)
  • Re: [AMBER] Compiling Carnal Amber7 in Amber9 (Thu Feb 05 2009 - 11:36:00 CST)
• Carlos P Sosa
  • Re: [AMBER] pmemd on BlueGene/P? (Thu Feb 05 2009 - 14:48:57 CST)
• Carlos Simmerling
  • Re: [AMBER] Simulated annealing (Thu Feb 26 2009 - 10:27:04 CST)
  • Re: [AMBER] (no subject) (Thu Feb 26 2009 - 10:24:40 CST)
  • Re: [AMBER] Simulated annealing (Thu Feb 26 2009 - 09:55:41 CST)
  • Re: [AMBER] Simulated annealing (Wed Feb 25 2009 - 19:31:30 CST)
  • Re: [AMBER] problem with amber installation (Wed Feb 25 2009 - 05:25:34 CST)
  • Re: [AMBER] reg.targeted molecular dynamics (Wed Feb 25 2009 - 05:21:39 CST)
  • Re: [AMBER] Equilibration Scaling to System Size (Tue Feb 24 2009 - 16:49:10 CST)
  • Re: [AMBER] problem with amber installation (Tue Feb 24 2009 - 05:47:20 CST)
  • Re: [AMBER] PME doesn't work (Mon Feb 23 2009 - 06:08:07 CST)
  • Re: [AMBER] PME doesn't work (Mon Feb 23 2009 - 05:19:27 CST)
  • Re: [AMBER] reg.targeted molecular dynamics (Mon Feb 23 2009 - 05:16:00 CST)
  • Re: [AMBER] reg.targeted molecular dynamics (Sun Feb 22 2009 - 09:06:32 CST)
  • Re: [AMBER] A beginner's question for using AMBER to do cell membrane simulation and molecular transportation (Sat Feb 21 2009 - 15:33:31 CST)
  • Re: [AMBER] reg.targeted molecular dynamics (Sat Feb 21 2009 - 06:35:05 CST)
  • [AMBER] ACS computational chemistry awards - March 9th deadline (Fri Feb 20 2009 - 10:27:18 CST)
  • Re: [AMBER] Problem with NVT and NPT (Fri Feb 20 2009 - 07:30:26 CST)
  • Re: Re: [AMBER] dipole correlation function (Thu Feb 19 2009 - 11:23:03 CST)
  • Re: [AMBER] secstruct (Thu Feb 19 2009 - 08:45:47 CST)
  • Re: [AMBER] dipole correlation function (Thu Feb 19 2009 - 08:39:16 CST)
  • Re: [AMBER] secstruct (Thu Feb 19 2009 - 07:30:16 CST)
  • Re: [AMBER] distance matrix plot and secondary structure analysis (Thu Feb 19 2009 - 06:48:57 CST)
  • Re: [AMBER] How to constrain the hydrogen bonding distances... (Wed Feb 18 2009 - 08:25:47 CST)
  • Re: [AMBER] IG not change at each restart of NPT simulation (Wed Feb 18 2009 - 08:04:47 CST)
  • Re: Re: [AMBER] MD simulation with a partially flexible system (Wed Feb 18 2009 - 06:35:40 CST)
  • Re: [AMBER] NVT vs NPT (Wed Feb 18 2009 - 06:18:49 CST)
  • Re: [AMBER] protein monomerizartion times and simulation with implicit solvent (Wed Feb 18 2009 - 06:16:00 CST)
  • Re: [AMBER] DM complexation (Tue Feb 17 2009 - 09:59:15 CST)
  • Re: [AMBER] DM complexation (Tue Feb 17 2009 - 09:28:34 CST)
  • Re: [AMBER] MD simulation with a partially flexible system (Tue Feb 17 2009 - 08:45:33 CST)
  • Re: [AMBER] using ptraj (Tue Feb 17 2009 - 08:29:07 CST)
  • Re: [AMBER] using ptraj (Tue Feb 17 2009 - 07:34:33 CST)
  • Re: [AMBER] (no subject) (Tue Feb 17 2009 - 07:10:49 CST)
  • Re: [AMBER] parallel run error (Tue Feb 17 2009 - 06:40:03 CST)
  • Re: [AMBER] using ptraj (Tue Feb 17 2009 - 06:37:15 CST)
  • Re: [AMBER] using ptraj (Mon Feb 16 2009 - 14:41:54 CST)
  • Re: [AMBER] density and volume in NVT ensamble (Mon Feb 16 2009 - 08:30:02 CST)
  • Re: [AMBER] density and volume in NVT ensamble (Mon Feb 16 2009 - 08:04:22 CST)
  • Re: [AMBER] Error running sander.MPI (Mon Feb 16 2009 - 05:51:08 CST)
  • Re: [AMBER] Beginner question (Fri Feb 13 2009 - 15:24:37 CST)
  • Re: [AMBER] array out of bound in Amber10 tests (Fri Feb 13 2009 - 10:38:04 CST)
  • Re: [AMBER] atoms fly out of the box in NVT calculations (Thu Feb 12 2009 - 16:05:10 CST)
  • Re: [AMBER] Optimization problem (Thu Feb 12 2009 - 08:21:28 CST)
  • Re: [AMBER] array out of bound in Amber10 tests (Wed Feb 11 2009 - 10:14:49 CST)
  • Re: [AMBER] Chlorine containing molecule (Wed Feb 11 2009 - 07:48:27 CST)
  • Re: [AMBER] reg . run TMD (Tue Feb 10 2009 - 11:48:22 CST)
  • Re: [AMBER] the output files (Tue Feb 10 2009 - 08:18:34 CST)
  • Re: [AMBER] the output files (Tue Feb 10 2009 - 05:22:04 CST)
  • Re: [AMBER] extract frames from a .mdcrd (Tue Feb 10 2009 - 04:58:12 CST)
  • Re: [AMBER] Irregularity in box during md (Tue Feb 10 2009 - 04:57:02 CST)
  • Re: [AMBER] Stability of a long NPT md trajectory? (Mon Feb 09 2009 - 21:10:55 CST)
  • Re: [AMBER] Stability of a long NPT md trajectory? (Mon Feb 09 2009 - 18:56:50 CST)
  • Re: [AMBER] hbond analysis (Mon Feb 09 2009 - 12:52:14 CST)
  • Re: [AMBER] the output files (Mon Feb 09 2009 - 07:06:41 CST)
  • Re: [AMBER] Stability of a long NPT md trajectory? (Mon Feb 09 2009 - 06:08:29 CST)
  • Re: [AMBER] extract frames from a .mdcrd (Fri Feb 06 2009 - 05:12:00 CST)
  • Re: [AMBER] parameter files for D-amino acid (Thu Feb 05 2009 - 09:10:18 CST)
  • Re: [AMBER] parameter files for D-amino acid (Thu Feb 05 2009 - 09:06:09 CST)
  • Re: [AMBER] parameter files for D-amino acid (Thu Feb 05 2009 - 07:37:32 CST)
  • Re: [AMBER] Solvation potential and free energies (Thu Feb 05 2009 - 06:33:08 CST)
  • Re: [AMBER] How to build reference coordinate file for targeted MD (Thu Feb 05 2009 - 05:19:12 CST)
  • Re: [AMBER] compiling errors (Wed Feb 04 2009 - 18:35:28 CST)
  • Re: [AMBER] PDB of a specific frame (Wed Feb 04 2009 - 13:52:49 CST)
  • Re: [AMBER] a question about umbrella sampling (US) (Wed Feb 04 2009 - 11:20:46 CST)
  • Re: [AMBER] Unit 5 Error on OPEN:mdin on clustuer with mpirun (Wed Feb 04 2009 - 05:16:34 CST)
  • Re: [AMBER] out error (Tue Feb 03 2009 - 13:18:39 CST)
  • Re: [AMBER] Unit 5 Error on OPEN:mdin on clustuer with mpirun (Tue Feb 03 2009 - 11:39:58 CST)
  • Re: [AMBER] Unit 5 Error on OPEN:mdin on clustuer with mpirun (Tue Feb 03 2009 - 11:17:53 CST)
  • Re: [AMBER] creating a restart file from md.out (Tue Feb 03 2009 - 09:34:44 CST)
  • Re: [AMBER] creating a restart file from md.out (Tue Feb 03 2009 - 07:36:44 CST)
  • Re: [AMBER] creating a restart file from md.out (Tue Feb 03 2009 - 05:30:44 CST)
  • Re: [AMBER] md simulation on parallel PMEMD (Mon Feb 02 2009 - 07:55:44 CST)
  • Re: [AMBER] strip frames from crd file (Mon Feb 02 2009 - 06:12:27 CST)
  • Re: [AMBER] the output files (Sun Feb 01 2009 - 12:11:51 CST)
  • Re: [AMBER] REMD fixed atoms (Sun Feb 01 2009 - 12:00:33 CST)
  • Re: [AMBER] Can bonded pair of atoms be restrainted by NMR distance restraint? (Sun Feb 01 2009 - 11:55:54 CST)
  • Re: [AMBER] Question on heating for homology based model. (Sun Feb 01 2009 - 11:47:02 CST)
• Carra, Claudio (JSC-SK)[USRA]
  • [AMBER] projections of trajectories onto the first 2 principal eigenvectors (Thu Feb 12 2009 - 12:22:20 CST)
• Catein Catherine
  • [AMBER] Scientific Linux 5.2 (Wed Feb 18 2009 - 01:13:23 CST)
• chaitanya koppisetty
  • Re: [AMBER] nab compile error with -scalapack (Tue Feb 03 2009 - 12:52:54 CST)
  • [AMBER] nab compile error with -scalapack (Tue Feb 03 2009 - 07:23:46 CST)
• CHAMI F.
  • [AMBER] Chlorine containing molecule (Wed Feb 11 2009 - 07:39:19 CST)
• Chih-Ying Lin
  • [AMBER] NVT vs NPT (Tue Feb 17 2009 - 21:23:05 CST)
• Chris Moth
  • Re: [AMBER] amber tools reading netcdf files (Tue Feb 24 2009 - 11:35:22 CST)
• Cojocaru,Vlad
  • RE: [AMBER] amber tools reading netcdf files (Tue Feb 24 2009 - 12:46:27 CST)
• Dan Kaps
  • Re: [AMBER] test charge (Fri Feb 20 2009 - 10:58:17 CST)
  • Re: [AMBER] test charge (Thu Feb 19 2009 - 20:22:31 CST)
  • [AMBER] test charge (Wed Feb 18 2009 - 20:27:32 CST)
• Daniel Emery
  • Re: [AMBER] Optimization problem (Thu Feb 12 2009 - 08:11:14 CST)
  • [AMBER] Optimization problem (Thu Feb 12 2009 - 04:01:49 CST)
• Daniel Smith
  • Re: [AMBER] Solvating the interior of a channel (Sun Feb 15 2009 - 16:40:23 CST)
  • Re: [AMBER] Solvating the interior of a channel (Fri Feb 13 2009 - 15:02:24 CST)
  • [AMBER] Solvating the interior of a channel (Tue Feb 10 2009 - 14:42:09 CST)
  • [AMBER] Solvating inside of a channel (Mon Feb 09 2009 - 15:03:16 CST)
• David A. Case
  • Re: [AMBER] A problem with xleap and pdb file (Fri Feb 27 2009 - 07:56:26 CST)
  • Re: [AMBER] Simulated annealing (Thu Feb 26 2009 - 09:52:18 CST)
  • Re: [AMBER] tleap errors !! (Thu Feb 26 2009 - 07:45:49 CST)
  • Re: [AMBER] problem with amber installation (Wed Feb 25 2009 - 06:45:01 CST)
  • Re: [AMBER] follow-up to previous discussion: nmr refinement of dimer (Tue Feb 24 2009 - 07:15:27 CST)
  • Re: [AMBER] order of "upper" and "lower" bounds in the makeDIS_RST inputs (Sat Feb 21 2009 - 17:51:38 CST)
  • Re: [AMBER] test charge (Thu Feb 19 2009 - 22:48:29 CST)
  • Re: [AMBER] test charge (Wed Feb 18 2009 - 22:24:04 CST)
  • Re: [AMBER] (NTB /= 0 && NTP /= 0) but IFBOX == 0 error (Wed Feb 18 2009 - 14:35:12 CST)
  • Re: [AMBER] ./configure_amber: line 1211: cd: netcdf/src: No such file or directory (Wed Feb 18 2009 - 12:11:56 CST)
  • Re: [AMBER] How to constrain the hydrogen bonding distances... (Wed Feb 18 2009 - 08:28:56 CST)
  • Re: [AMBER] problem compiling nmode.c (Tue Feb 17 2009 - 20:45:03 CST)
  • Re: [AMBER] PMF calculation (Tue Feb 17 2009 - 20:23:20 CST)
  • Re: [AMBER] restraint angle (Tue Feb 17 2009 - 11:52:49 CST)
  • Re: [AMBER] Amber 9 Install - AMBERBUILDFLAGS error (Mon Feb 16 2009 - 22:29:41 CST)
  • Re: [AMBER] Normal errors on job kill? (Mon Feb 16 2009 - 22:25:54 CST)
  • Re: [AMBER] New atom type with 7 bonds (Mon Feb 16 2009 - 08:28:25 CST)
  • Re: [AMBER] Error installing Amber (Mon Feb 16 2009 - 08:21:41 CST)
  • Re: [AMBER] install Amber 10 to Macbook (Sat Feb 14 2009 - 17:17:53 CST)
  • Re: [AMBER] Question about improper torsions... (Sat Feb 14 2009 - 07:32:21 CST)
  • Re: [AMBER] Optimization problem (Thu Feb 12 2009 - 08:35:52 CST)
  • Re: [AMBER] nmr refinement of dimer (Thu Feb 12 2009 - 07:08:08 CST)
  • Re: [AMBER] Optimization problem (Thu Feb 12 2009 - 06:58:17 CST)
  • Re: [AMBER] Compiling Carnal Amber7 in Amber9 (Thu Feb 12 2009 - 06:58:03 CST)
  • Re: [AMBER] amber9 installation problem in SMP IA64 (Wed Feb 11 2009 - 07:07:48 CST)
  • Re: [AMBER] nmr refinement of dimer (Wed Feb 11 2009 - 07:02:37 CST)
  • Re: [AMBER] AMBER: chiral restraint on protein (Wed Feb 11 2009 - 06:56:05 CST)
  • Re: [AMBER] array out of bound in Amber10 tests (Tue Feb 10 2009 - 15:30:36 CST)
  • Re: [AMBER] array out of bound in Amber10 tests (Tue Feb 10 2009 - 10:39:43 CST)
  • Re: [AMBER] NAB md function prints strange output (Tue Feb 10 2009 - 06:46:40 CST)
  • Re: [AMBER] amber9 installation problem in SMP IA64 (Tue Feb 10 2009 - 06:41:29 CST)
  • Re: [AMBER] second derivative matrix (Mon Feb 09 2009 - 09:05:18 CST)
  • Re: [AMBER] NAB md function prints strange output (Mon Feb 09 2009 - 06:58:43 CST)
  • Re: [AMBER] distance calculation by reading in the restraint file (Fri Feb 06 2009 - 16:35:55 CST)
  • Re: [AMBER] distance calculation by reading in the restraint file (Fri Feb 06 2009 - 16:03:08 CST)
  • Re: [AMBER] Solvation potential and free energies (Fri Feb 06 2009 - 07:34:25 CST)
  • Re: [AMBER] amber9 installation problem in SMP IA64 (Fri Feb 06 2009 - 07:25:55 CST)
  • Re: [AMBER] second derivative matrix calculation (Fri Feb 06 2009 - 07:19:52 CST)
  • Re: [AMBER] Citing AMBER Tools... (Thu Feb 05 2009 - 09:44:37 CST)
  • Re: [AMBER] nab compile error with -scalapack (Tue Feb 03 2009 - 08:27:24 CST)
  • Re: [AMBER] Langevin dynamics (Mon Feb 02 2009 - 13:24:59 CST)
  • Re: [AMBER] precision in the trajectory files (Mon Feb 02 2009 - 08:55:40 CST)
  • Re: [AMBER] md simulation on parallel PMEMD (Mon Feb 02 2009 - 07:54:58 CST)
  • Re: [AMBER] Can bonded pair of atoms be restrainted by NMR distance restraint? (Sun Feb 01 2009 - 12:35:03 CST)
• David Mobley
  • [AMBER] paper of interest for FF development/solvent models (Thu Feb 19 2009 - 09:15:04 CST)
• David Patiño
  • Re: [AMBER] Error installing Amber (Tue Feb 17 2009 - 08:58:05 CST)
  • [AMBER] Error installing Amber (Mon Feb 16 2009 - 06:02:31 CST)
• David Watson
  • Re: [AMBER] Re: Antechamber (Fri Feb 27 2009 - 16:01:49 CST)
  • Re: [AMBER] Re: Antechamber (Fri Feb 27 2009 - 08:26:30 CST)
  • Re: [AMBER] install Amber 10 to Macbook (Sun Feb 15 2009 - 13:52:36 CST)
• Diddo Diddens
  • [AMBER] Scaling of dipole interactions (Tue Feb 10 2009 - 08:33:18 CST)
• Dmitri Nilov
  • [AMBER] formate parameters (Tue Feb 10 2009 - 08:47:31 CST)
• Dmitry Osolodkin
  • [AMBER] Protein motions comparison (Thu Feb 19 2009 - 05:58:24 CST)
• drugdesign
  • [AMBER] protein monomerizartion times and simulation with implicit solvent (Wed Feb 18 2009 - 04:27:17 CST)
  • Re: [AMBER] Unit 5 Error on OPEN:mdin on clustuer with mpirun (Tue Feb 03 2009 - 23:46:19 CST)
  • [AMBER] Unit 5 Error on OPEN:mdin on clustuer with mpirun (Tue Feb 03 2009 - 11:03:20 CST)
• Francesco Pietra
  • [AMBER] MD simulation at constant pH (Thu Feb 26 2009 - 04:52:47 CST)
  • Re: [AMBER] Any link to a major QM code? (Mon Feb 16 2009 - 08:47:04 CST)
  • [AMBER] Any link to a major QM code? (Sun Feb 15 2009 - 11:58:30 CST)
• FyD
  • Re: [AMBER] Ramesh here (Sat Feb 28 2009 - 07:45:39 CST)
  • Re: [AMBER] Re: Antechamber (Fri Feb 27 2009 - 07:12:16 CST)
  • Re: [AMBER] MD simulations on a protein with FAD and NADH (Fri Feb 27 2009 - 02:24:37 CST)
  • Re: [AMBER] Iron 2+ parameters (Mon Feb 16 2009 - 12:25:45 CST)
  • Re: [AMBER] RED-vIII: Scratch directory for Gaussian [NOT FOUND] (Tue Feb 10 2009 - 09:05:56 CST)
  • Re: [AMBER] parameter files for D-amino acid (Thu Feb 05 2009 - 09:00:55 CST)
• Gard Nelson
  • [AMBER] compiling errors (Wed Feb 04 2009 - 18:30:22 CST)
• George Tzotzos
  • Re: [AMBER] RE: Tutorial 5 (Sun Feb 01 2009 - 15:04:36 CST)
• Gijs Schaftenaar
  • [AMBER] Parmchk wrongly calculates missing parameters (fwd) (Fri Feb 20 2009 - 07:16:17 CST)
• gmail
  • Re: [AMBER] How to build reference coordinate file for targeted MD (Thu Feb 05 2009 - 23:20:59 CST)
  • [AMBER] How to build reference coordinate file for targeted MD (Thu Feb 05 2009 - 00:44:22 CST)
• guardiani_at_fi.infn.it
  • [AMBER] Solvation potential and free energies (Thu Feb 05 2009 - 06:27:21 CST)
• Gustavo Seabra
  • Re: [AMBER] linux install problem (Thu Feb 19 2009 - 14:47:18 CST)
  • Re: [AMBER] contant force pulling simulation with amber 10 (Mon Feb 16 2009 - 12:11:40 CST)
  • Re: [AMBER] Any link to a major QM code? (Mon Feb 16 2009 - 10:51:03 CST)
  • Re: [AMBER] Any link to a major QM code? (Sun Feb 15 2009 - 18:17:32 CST)
  • Re: [AMBER] Optimization problem (Thu Feb 12 2009 - 08:48:23 CST)
  • Re: [AMBER] error in xleap: ligand binding using MMand QMMM tech (Thu Feb 12 2009 - 08:32:17 CST)
• Hannes Loeffler
  • Re: [AMBER] PMEMD vs GROMACS? (Tue Feb 24 2009 - 02:39:29 CST)
  • Re: [AMBER] Protein motions comparison (Thu Feb 19 2009 - 06:07:47 CST)
  • Re: [AMBER] projections of trajectories onto the first 2 principal eigenvectors (Fri Feb 13 2009 - 03:33:19 CST)
  • Re: [AMBER] projections of trajectories onto the first 2 principal eigenvectors (Fri Feb 13 2009 - 02:32:20 CST)
  • Re: [AMBER] pmemd on BlueGene/P? (Fri Feb 06 2009 - 03:01:37 CST)
  • [AMBER] pmemd on BlueGene/P? (Thu Feb 05 2009 - 07:09:45 CST)
• Heath Watts
  • Re: [AMBER] glycam and solvateoct command (Tue Feb 17 2009 - 16:31:35 CST)
  • [AMBER] glycam and solvateoct command (Tue Feb 17 2009 - 13:51:13 CST)
  • Re: [AMBER] Beginner question (Fri Feb 13 2009 - 19:20:46 CST)
  • Re: [AMBER] Beginner question (Fri Feb 13 2009 - 19:19:44 CST)
  • [AMBER] Beginner question (Fri Feb 13 2009 - 15:18:42 CST)
• Hopkins, Robert
  • [AMBER] Equilibration Scaling to System Size (Tue Feb 24 2009 - 16:31:37 CST)
  • [AMBER] Restarting an MD Simulation (Wed Feb 04 2009 - 18:34:16 CST)
• Hrvoje Brkiæ
  • [AMBER] Iron 2+ parameters (Mon Feb 16 2009 - 07:53:57 CST)
• Hu, Shaowen (JSC-SK)[Universities Space Research Association (USRA)]
  • RE: [AMBER] Simulated annealing (Thu Feb 26 2009 - 10:30:47 CST)
  • RE: [AMBER] Simulated annealing (Thu Feb 26 2009 - 10:22:59 CST)
• Ibrahim Moustafa
  • Re: [AMBER] Simulated annealing (Thu Feb 26 2009 - 10:32:32 CST)
  • Re: [AMBER] Simulated annealing (Thu Feb 26 2009 - 09:28:44 CST)
  • [AMBER] Simulated annealing (Wed Feb 25 2009 - 18:26:37 CST)
• iccy liu
  • RE: [AMBER] atoms fly out of the box in NVT calculations (Sun Feb 15 2009 - 17:34:37 CST)
  • [AMBER] atoms fly out of the box in NVT calculations (Thu Feb 12 2009 - 15:48:24 CST)
• James W
  • [AMBER] About the croase grainded FF (Tue Feb 24 2009 - 01:58:12 CST)
• Jason A. Ford-Green
  • Re: [AMBER] Solvating the interior of a channel (Wed Feb 11 2009 - 10:04:24 CST)
  • Re: [AMBER] Resp charge (Fri Feb 06 2009 - 14:38:29 CST)
  • [AMBER] PDB of a specific frame (Wed Feb 04 2009 - 13:46:52 CST)
• Jeffrey
  • Re: Re: Re: [AMBER] dipole correlation function (Thu Feb 19 2009 - 19:31:08 CST)
  • Re: Re: [AMBER] dipole correlation function (Thu Feb 19 2009 - 10:39:15 CST)
  • [AMBER] dipole correlation function (Thu Feb 19 2009 - 08:18:20 CST)
  • [AMBER] IG not change at each restart of NPT simulation (Wed Feb 18 2009 - 06:49:47 CST)
  • Re: Re: [AMBER] MD simulation with a partially flexible system (Tue Feb 17 2009 - 20:19:47 CST)
  • [AMBER] MD simulation with a partially flexible system (Tue Feb 17 2009 - 08:38:10 CST)
  • [AMBER] How to jude whether the trajectory is stable or not (Thu Feb 12 2009 - 20:33:53 CST)
• Jenny Iskrenova
  • Re: [AMBER] test charge (Fri Feb 20 2009 - 14:32:14 CST)
  • Re: [AMBER] precision in the trajectory files (Tue Feb 03 2009 - 11:07:58 CST)
  • [AMBER] precision in the trajectory files (Mon Feb 02 2009 - 08:43:38 CST)
• Jeremy Harris
  • [AMBER] amber tools reading netcdf files (Tue Feb 24 2009 - 09:54:09 CST)
• Jochen Heil
  • Re: [AMBER] NAB md function prints strange output (Tue Feb 10 2009 - 06:19:56 CST)
  • [AMBER] NAB md function prints strange output (Mon Feb 09 2009 - 05:30:21 CST)
• Jose Borreguero
  • [AMBER] can ptraj output the trajectory of the residue CM? (Mon Feb 16 2009 - 13:47:34 CST)
• Kevin Wiehe
  • [AMBER] ptraj fails to recognize binary REMD output (Fri Feb 06 2009 - 11:44:21 CST)
• kureeckal ramesh
  • Re: [AMBER] Ramesh here (Sat Feb 28 2009 - 09:36:43 CST)
  • [AMBER] Ramesh here (Fri Feb 27 2009 - 21:20:49 CST)
  • [AMBER] Re: Antechamber (Fri Feb 27 2009 - 06:56:58 CST)
  • [AMBER] Antechamber (Thu Feb 19 2009 - 19:36:03 CST)
  • [AMBER] error in xleap: ligand binding using MMand QMMM tech (Thu Feb 12 2009 - 04:27:41 CST)
  • Re: [AMBER] Dr. Ramesh here (Mon Feb 02 2009 - 08:22:51 CST)
• Lachele Foley (Lists)
  • Re: [AMBER] glycam and solvateoct command (Wed Feb 18 2009 - 09:00:34 CST)
  • Re: [AMBER] script to convert GLYCAM ff in CHARMM format (Fri Feb 06 2009 - 08:57:17 CST)
• Lake, Thomas
  • [AMBER] (no subject) (Thu Feb 26 2009 - 10:19:53 CST)
• li hui
  • [AMBER] contant force pulling simulation with amber 10 (Mon Feb 16 2009 - 11:01:36 CST)
• liu junjun
  • Re: [AMBER] Can bonded pair of atoms be restrainted by NMR distance restraint? (Mon Feb 02 2009 - 10:25:41 CST)
  • [AMBER] Can bonded pair of atoms be restrainted by NMR distance restraint? (Sun Feb 01 2009 - 01:51:39 CST)
• Lorenzo Gontrani
  • Re: [AMBER] g(r) extrapolation (Thu Feb 19 2009 - 03:23:19 CST)
  • [AMBER] g(r) extrapolation (Wed Feb 18 2009 - 09:16:26 CST)
  • Re: [AMBER] Solvation potential and free energies (Thu Feb 05 2009 - 06:34:47 CST)
• m m
  • [AMBER] restraint angle (Tue Feb 17 2009 - 11:17:00 CST)
• Mahmoud A. A. Ibrahim
  • [AMBER] APS & ff03 (Mon Feb 09 2009 - 08:49:56 CST)
• Majeed Shaik
  • [AMBER] (NTB /= 0 && NTP /= 0) but IFBOX == 0 error (Wed Feb 18 2009 - 14:09:17 CST)
  • [AMBER] How to constrain the hydrogen bonding distances... (Wed Feb 18 2009 - 08:11:37 CST)
• Manikandan Chandrasekaran
  • Re: [AMBER] Test run on Solaris 10 X 86 (Fri Feb 06 2009 - 11:39:54 CST)
  • Re: [AMBER] Test run on Solaris 10 X 86 (Wed Feb 04 2009 - 12:37:21 CST)
  • Re: [AMBER] Test run on Solaris 10 X 86 (Tue Feb 03 2009 - 14:28:37 CST)
  • Re: [AMBER] Test run on Solaris 10 X 86 (Mon Feb 02 2009 - 13:16:32 CST)
• Mannan
  • [AMBER] MD simulations on a protein with FAD and NADH (Thu Feb 26 2009 - 19:11:54 CST)
• Marek Malý
  • [AMBER] Partial entropy calculations ? (Fri Feb 27 2009 - 12:21:29 CST)
  • Re: [AMBER] MKL error ? (Thu Feb 05 2009 - 14:00:10 CST)
  • Re: [AMBER] MKL error ? (Thu Feb 05 2009 - 06:26:05 CST)
  • [AMBER] MKL error ? (Tue Feb 03 2009 - 17:00:03 CST)
  • Re: [AMBER] -MMTSB instalation flag ? (Tue Feb 03 2009 - 11:15:04 CST)
  • [AMBER] -MMTSB instalation flag ? (Tue Feb 03 2009 - 09:31:38 CST)
• Marie Brut
  • [AMBER] second derivative matrix (Mon Feb 09 2009 - 02:53:01 CST)
  • [AMBER] second derivative matrix calculation (Fri Feb 06 2009 - 04:47:18 CST)
• Mark Dixon
  • Re: [AMBER] Current Amber10 bugfix.all doesn't apply cleanly (Fri Feb 27 2009 - 10:44:28 CST)
  • [AMBER] Current Amber10 bugfix.all doesn't apply cleanly (Thu Feb 26 2009 - 05:54:03 CST)
• Markus Kaukonen
  • [AMBER] Re: AMBER: GBSA EGB = NaN (Thu Feb 19 2009 - 07:34:38 CST)
  • [AMBER] Re: AMBER: GBSA EGB = NaN (Wed Feb 18 2009 - 06:26:28 CST)
• Massimiliano Bonomi
  • [AMBER] PLUMED release 1.0.0 available (Thu Feb 26 2009 - 07:11:54 CST)
• Maxime Louet
  • RE: [AMBER] secstruct (Thu Feb 19 2009 - 08:17:17 CST)
• Molecular Dynamics
  • [AMBER] a query (Sat Feb 28 2009 - 13:45:46 CST)
  • Re: [AMBER] using ptraj (Tue Feb 17 2009 - 08:11:16 CST)
  • Re: [AMBER] using ptraj (Tue Feb 17 2009 - 07:31:02 CST)
  • Re: [AMBER] using ptraj (Tue Feb 17 2009 - 05:44:09 CST)
  • [AMBER] using ptraj (Mon Feb 16 2009 - 14:31:42 CST)
• monica bhattacharee
  • [AMBER] question about ptraj hydrogen bond analysis (Wed Feb 18 2009 - 13:45:17 CST)
• nancy4619
  • Re:Re: [AMBER] A problem with xleap and pdb file (Fri Feb 27 2009 - 08:20:17 CST)
  • [AMBER] I need a professional help about xleap and pdb file (Fri Feb 27 2009 - 07:56:14 CST)
  • [AMBER] A problem with xleap and pdb file (Fri Feb 27 2009 - 06:28:01 CST)
• nicholus bhattacharjee
  • Re: [AMBER] problem with amber installation (Tue Feb 24 2009 - 22:29:11 CST)
  • [AMBER] problem with amber installation (Tue Feb 24 2009 - 00:50:12 CST)
• null
  • Re:Re: [AMBER] Re: Antechamber (Fri Feb 27 2009 - 08:00:07 CST)
• oguz gurbulak
  • [AMBER] using Gromacs for analysis (Fri Feb 27 2009 - 11:03:54 CST)
  • [AMBER] perform an analysis using ptraj (Tue Feb 24 2009 - 10:19:11 CST)
  • Re: [AMBER] density and volume in NVT ensamble (Mon Feb 16 2009 - 08:32:07 CST)
  • Re: [AMBER] density and volume in NVT ensamble (Mon Feb 16 2009 - 08:27:01 CST)
  • Re: [AMBER] density and volume in NVT ensamble (Mon Feb 16 2009 - 08:25:52 CST)
  • [AMBER] density and volume in NVT ensamble (Mon Feb 16 2009 - 07:58:13 CST)
  • Re: [AMBER] the output files (Tue Feb 10 2009 - 08:11:44 CST)
  • Re: [AMBER] the output files (Tue Feb 10 2009 - 05:14:58 CST)
  • Re: [AMBER] the output files (Mon Feb 09 2009 - 07:03:47 CST)
  • [AMBER] MD analysis (Sat Feb 07 2009 - 08:56:10 CST)
  • [AMBER] MSD and stress tensors (Fri Feb 06 2009 - 05:09:12 CST)
  • Re: [AMBER] creating a restart file from md.out (Tue Feb 03 2009 - 09:29:47 CST)
  • Re: [AMBER] creating a restart file from md.out (Tue Feb 03 2009 - 07:22:45 CST)
  • [AMBER] creating a restart file from md.out (Tue Feb 03 2009 - 04:44:10 CST)
  • [AMBER] md simulation on parallel PMEMD (Mon Feb 02 2009 - 07:32:31 CST)
  • [AMBER] the output files (Sun Feb 01 2009 - 05:13:02 CST)
• parul sharma
  • Re: [AMBER] PME doesn't work (Mon Feb 23 2009 - 06:03:54 CST)
  • [AMBER] PME doesn't work (Mon Feb 23 2009 - 03:43:40 CST)
  • Re: [AMBER] Problem with NVT and NPT (Fri Feb 20 2009 - 07:27:51 CST)
  • [AMBER] Problem with NVT and NPT (Fri Feb 20 2009 - 07:07:36 CST)
  • Re: [AMBER] Confusion regarding box size (Tue Feb 10 2009 - 07:29:38 CST)
  • [AMBER] Irregularity in box during md (Tue Feb 10 2009 - 04:35:18 CST)
  • [AMBER] Confusion regarding box size (Tue Feb 10 2009 - 01:20:01 CST)
• Patrick Schopf
  • [AMBER] RED-vIII: Scratch directory for Gaussian [NOT FOUND] (Tue Feb 10 2009 - 08:15:42 CST)
• Peter Gannett
  • Re:Re: [AMBER] A problem with xleap and pdb file (Fri Feb 27 2009 - 08:32:20 CST)
  • Re: [AMBER] I need a professional help about xleap and pdb file (Fri Feb 27 2009 - 08:17:31 CST)
• Piotr Cieplak
  • Re: [AMBER] Partial entropy calculations ? (Fri Feb 27 2009 - 12:44:21 CST)
  • [AMBER] order of "upper" and "lower" bounds in the makeDIS_RST inputs (Fri Feb 20 2009 - 15:40:14 CST)
• Prem Prakash Pathak
  • [AMBER] constph tutorial help (Tue Feb 17 2009 - 06:53:37 CST)
  • [AMBER] how to get amber 10 (Tue Feb 10 2009 - 20:42:37 CST)
• priya priya
  • Re: [AMBER] Radius of Gyration (Tue Feb 03 2009 - 23:30:07 CST)
• Qizhi Cui
  • Re: [AMBER] DFT SK parameter for P atom (Mon Feb 02 2009 - 15:37:41 CST)
  • [AMBER] DFT SK parameter for P atom (Mon Feb 02 2009 - 13:59:19 CST)
• Rausch, Felix
  • RE: [AMBER] Error running sander.MPI (Tue Feb 17 2009 - 02:15:19 CST)
  • RE: [AMBER] adding MG2 problem (Wed Feb 04 2009 - 07:04:51 CST)
• Robert Duke
  • Re: [AMBER] PME doesn't work (Mon Feb 23 2009 - 07:48:04 CST)
  • Re: [AMBER] IG not change at each restart of NPT simulation (Wed Feb 18 2009 - 08:15:00 CST)
  • Re: [AMBER] IG not change at each restart of NPT simulation (Wed Feb 18 2009 - 07:57:35 CST)
  • Re: [AMBER] Stability of a long NPT md trajectory? (Tue Feb 10 2009 - 14:29:15 CST)
  • Re: [AMBER] Stability of a long NPT md trajectory? (Tue Feb 10 2009 - 07:40:55 CST)
  • Re: [AMBER] Stability of a long NPT md trajectory? (Mon Feb 09 2009 - 22:20:57 CST)
  • Re: [AMBER] Stability of a long NPT md trajectory? (Mon Feb 09 2009 - 20:21:31 CST)
  • Re: [AMBER] Stability of a long NPT md trajectory? (Mon Feb 09 2009 - 07:25:10 CST)
  • Re: [AMBER] pmemd on BlueGene/P? (Thu Feb 05 2009 - 07:42:32 CST)
  • Re: [AMBER] pmemd installation in intelmpi (Wed Feb 04 2009 - 22:34:37 CST)
  • Re: [AMBER] md simulation on parallel PMEMD (Mon Feb 02 2009 - 08:03:59 CST)
• Ross Walker
  • [AMBER] IMPORTANT INFO: Regarding Anonymous postings to the AMBER mailing list. (Sat Feb 28 2009 - 16:19:16 CST)
  • RE: [AMBER] PCL (Sat Feb 28 2009 - 11:23:30 CST)
  • RE: Re: [AMBER] A problem with xleap and pdb file (Fri Feb 27 2009 - 09:55:23 CST)
  • RE: [AMBER] reg.targeted molecular dynamics (Fri Feb 27 2009 - 09:11:44 CST)
  • RE: [AMBER] MD simulations on a protein with FAD and NADH (Thu Feb 26 2009 - 22:32:05 CST)
  • RE: [AMBER] Error in using Amber (Thu Feb 26 2009 - 00:03:12 CST)
  • RE: [AMBER] reg.targeted molecular dynamics (Wed Feb 25 2009 - 09:12:29 CST)
  • RE: [AMBER] problem with amber installation (Wed Feb 25 2009 - 09:05:26 CST)
  • Re: [AMBER] atoms fly out of the box in NVT calculations (Thu Feb 12 2009 - 20:22:57 CST)
  • RE: [AMBER] Compiling Carnal Amber7 in Amber9 (Thu Feb 12 2009 - 08:55:54 CST)
  • RE: [AMBER] amber9 installation problem in SMP IA64 (Thu Feb 12 2009 - 08:54:49 CST)
  • RE: [AMBER] Compiling Carnal Amber7 in Amber9 (Wed Feb 11 2009 - 10:53:10 CST)
  • RE: [AMBER] how to get amber 10 (Tue Feb 10 2009 - 21:20:33 CST)
  • RE: [AMBER] amber9 installation problem in SMP IA64 (Tue Feb 10 2009 - 11:56:22 CST)
  • RE: [AMBER] the output files (Tue Feb 10 2009 - 11:45:37 CST)
  • RE: [AMBER] parmchk (Mon Feb 09 2009 - 10:28:20 CST)
  • RE: [AMBER] How to build reference coordinate file for targeted MD (Fri Feb 06 2009 - 02:14:14 CST)
  • RE: [AMBER] mpirun problem in HPC (Fri Feb 06 2009 - 02:05:37 CST)
  • RE: [AMBER] production run terminates due to (*) symbols in xxx.rst (Thu Feb 05 2009 - 12:58:41 CST)
  • RE: [AMBER] MKL error ? (Thu Feb 05 2009 - 12:29:45 CST)
  • RE: [AMBER] Restarting an MD Simulation (Wed Feb 04 2009 - 21:24:56 CST)
  • RE: [AMBER] Restarting an MD Simulation (Wed Feb 04 2009 - 21:03:36 CST)
  • RE: [AMBER] compiling errors (Wed Feb 04 2009 - 18:48:14 CST)
  • RE: [AMBER] MKL error ? (Tue Feb 03 2009 - 23:22:48 CST)
  • RE: [AMBER] Unit 5 Error on OPEN:mdin on clustuer with mpirun (Tue Feb 03 2009 - 11:21:07 CST)
• rpaduri_at_chem.wayne.edu
  • Re: [AMBER] Re: Antechamber (Fri Feb 27 2009 - 14:44:59 CST)
• s. Bill
  • [AMBER] parmchk (Mon Feb 09 2009 - 09:55:20 CST)
• Sally Pias
  • [AMBER] follow-up to previous discussion: nmr refinement of dimer (Tue Feb 24 2009 - 01:50:41 CST)
  • Re: [AMBER] nmr refinement of dimer (Thu Feb 12 2009 - 03:17:44 CST)
  • [AMBER] nmr refinement of dimer (Wed Feb 11 2009 - 03:05:56 CST)
• Sampath Koppole
  • [AMBER] tleap errors !! (Thu Feb 26 2009 - 03:47:48 CST)
• Sasha Buzko
  • Re: [AMBER] PMEMD vs GROMACS? (Tue Feb 24 2009 - 11:15:59 CST)
  • [AMBER] PMEMD vs GROMACS? (Mon Feb 23 2009 - 13:55:27 CST)
• Scott Brozell
  • Re: [AMBER] adding MG2 problem (Tue Feb 03 2009 - 13:09:32 CST)
  • Re: [AMBER] -MMTSB instalation flag ? (Tue Feb 03 2009 - 11:38:11 CST)
  • Re: [AMBER] -MMTSB instalation flag ? (Tue Feb 03 2009 - 11:06:47 CST)
• Shan-ho Tsai
  • Re: [AMBER] problem compiling nmode.c (Thu Feb 19 2009 - 08:49:39 CST)
  • [AMBER] problem compiling nmode.c (Tue Feb 17 2009 - 14:38:00 CST)
  • Re: [AMBER] array out of bound in Amber10 tests (Mon Feb 16 2009 - 10:53:05 CST)
  • Re: [AMBER] array out of bound in Amber10 tests (Wed Feb 11 2009 - 16:24:10 CST)
  • Re: [AMBER] array out of bound in Amber10 tests (Wed Feb 11 2009 - 09:38:23 CST)
  • Re: [AMBER] array out of bound in Amber10 tests (Tue Feb 10 2009 - 15:04:43 CST)
  • [AMBER] array out of bound in Amber10 tests (Tue Feb 10 2009 - 10:19:42 CST)
  • Re: [AMBER] REM_hybrid test fails on AIX (Thu Feb 05 2009 - 10:44:43 CST)
• Shozeb Haider
  • Re: [AMBER] Solvating the interior of a channel (Wed Feb 11 2009 - 07:15:07 CST)
• Siddharth Rastogi
  • [AMBER] distance matrix plot and secondary structure analysis (Thu Feb 19 2009 - 00:17:47 CST)
• Simon Becker
  • Re: [AMBER] reg.Targeted molecular dynamics (Wed Feb 18 2009 - 05:38:54 CST)
• sri noraima othman
  • Re: [AMBER] Error in using Amber (Thu Feb 26 2009 - 00:27:14 CST)
  • [AMBER] Error in using Amber (Wed Feb 25 2009 - 21:27:29 CST)
• Swarup Gupta
  • [AMBER] non bonded parameteters index (Thu Feb 12 2009 - 18:07:46 CST)
• Syed Tarique Moin
  • Re: [AMBER] Iron 2+ parameters (Mon Feb 16 2009 - 10:25:34 CST)
• Therese Malliavin
  • Re: [AMBER] nmr refinement of dimer (Wed Feb 11 2009 - 04:57:06 CST)
• Thomas Cheatham III
  • Re: [AMBER] problem about trajectory analysis (Wed Feb 25 2009 - 18:57:49 CST)
  • Re: [AMBER] (no subject) (Wed Feb 25 2009 - 18:48:56 CST)
  • Re: [AMBER] ptraj analyze (Wed Feb 25 2009 - 18:45:17 CST)
  • Re: [AMBER] question about ptraj hydrogen bond analysis (Wed Feb 18 2009 - 14:21:27 CST)
  • Re: [AMBER] g(r) extrapolation (Wed Feb 18 2009 - 11:15:36 CST)
• Tyler Luchko
  • Re: [AMBER] install Amber 10 to Macbook (Sun Feb 15 2009 - 13:27:53 CST)
• vallespardojl_at_chem.leidenuniv.nl
  • Re: [AMBER] extract frames from a .mdcrd (Tue Feb 10 2009 - 02:52:19 CST)
  • Re: [AMBER] Confusion regarding box size (Tue Feb 10 2009 - 02:35:24 CST)
  • [AMBER] extract frames from a .mdcrd (Fri Feb 06 2009 - 04:48:23 CST)
  • Re: [AMBER] production run terminates due to (*) symbols in xxx.rst (Thu Feb 05 2009 - 04:28:33 CST)
• Vijay Manickam Achari
  • [AMBER] Error running sander.MPI (Mon Feb 16 2009 - 02:23:05 CST)
  • RE: [AMBER] amber9 installation problem in SMP IA64 (Thu Feb 12 2009 - 03:21:01 CST)
  • Re: [AMBER] amber9 installation problem in SMP IA64 (Thu Feb 12 2009 - 03:13:55 CST)
  • RE: [AMBER] Compiling Carnal Amber7 in Amber9 (Thu Feb 12 2009 - 03:12:29 CST)
  • RE: [AMBER] amber9 installation problem in SMP IA64 (Wed Feb 11 2009 - 03:36:31 CST)
  • Re: [AMBER] Compiling Carnal Amber7 in Amber9 (Wed Feb 11 2009 - 01:58:08 CST)
  • Re: [AMBER] amber9 installation problem in SMP IA64 (Tue Feb 10 2009 - 02:30:55 CST)
  • [AMBER] mpirun problem in HPC (Fri Feb 06 2009 - 01:01:29 CST)
  • [AMBER] amber9 installation problem in SMP IA64 (Fri Feb 06 2009 - 01:00:16 CST)
  • Re: [AMBER] production run terminates due to (*) symbols in xxx.rst (Thu Feb 05 2009 - 20:50:20 CST)
  • Re: [AMBER] production run terminates due to (*) symbols in xxx.rst (Thu Feb 05 2009 - 04:58:26 CST)
  • Re: [AMBER] pmemd installation in intelmpi (Thu Feb 05 2009 - 02:38:38 CST)
  • [AMBER] error in executing sander.MPI in amber9 (Thu Feb 05 2009 - 02:37:09 CST)
  • [AMBER] production run terminates due to (*) symbols in xxx.rst (Wed Feb 04 2009 - 22:17:38 CST)
  • [AMBER] Compiling Carnal Amber7 in Amber9 (Wed Feb 04 2009 - 21:21:14 CST)
  • [AMBER] pmemd installation in intelmpi (Wed Feb 04 2009 - 21:16:06 CST)
• vijayaraj_at_clri.res.in
  • Re: [AMBER] parameter files for D-amino acid (Thu Feb 05 2009 - 08:49:56 CST)
• Vlad Cojocaru
  • Re: [AMBER] PMEMD vs GROMACS? (Tue Feb 24 2009 - 02:46:36 CST)
  • Re: [AMBER] About the croase grainded FF (Tue Feb 24 2009 - 02:40:53 CST)
  • Re: [AMBER] PMEMD vs GROMACS? (Tue Feb 24 2009 - 02:24:16 CST)
• Vsatheesh Patil
  • [AMBER] parameter files for D-amino acid (Thu Feb 05 2009 - 07:04:12 CST)
• waleed zalloum
  • [AMBER] PCL (Sat Feb 28 2009 - 11:17:51 CST)
  • [AMBER] (no subject) (Wed Feb 25 2009 - 10:41:14 CST)
• Wang,Ying
  • [AMBER] How to get the energy of a molecule in a whole system (Tue Feb 17 2009 - 10:28:39 CST)
  • [AMBER] how can i deal with large number atoms (Wed Feb 04 2009 - 23:04:23 CST)
• Wei Huang
  • [AMBER] Question about NAB module (Sat Feb 28 2009 - 18:23:49 CST)
• Wei Zhang
  • Re: [AMBER] Confusion regarding box size (Tue Feb 10 2009 - 07:07:38 CST)
• xiaonan zhang
  • Re: [AMBER] How to build reference coordinate file for targeted MD (Thu Feb 05 2009 - 06:00:38 CST)
• xiaoqin huang
  • RE: [AMBER] distance calculation by reading in the restraint file (Fri Feb 06 2009 - 17:28:59 CST)
  • RE: [AMBER] distance calculation by reading in the restraint file (Fri Feb 06 2009 - 12:34:34 CST)
  • [AMBER] distance calculation by reading in the restraint file (Fri Feb 06 2009 - 11:52:56 CST)
  • RE: [AMBER] a question about umbrella sampling (US) (Wed Feb 04 2009 - 16:23:12 CST)
  • [AMBER] a question about umbrella sampling (US) (Wed Feb 04 2009 - 11:12:02 CST)
• Xu Dong
  • Re: [AMBER] A beginner's question for using AMBER to do cell membrane simulation and molecular transportation (Sat Feb 21 2009 - 15:40:03 CST)
  • [AMBER] A beginner's question for using AMBER to do cell membrane simulation and molecular transportation (Sat Feb 21 2009 - 14:27:29 CST)
  • [AMBER] Need suggestion on payment for Ph.D student majored in molecular simulation (Tue Feb 17 2009 - 12:54:58 CST)
• Ye MEI
  • Re: [AMBER] Unit 5 Error on OPEN:mdin on clustuer with mpirun (Tue Feb 03 2009 - 11:12:54 CST)

Last message date: Tue Nov 24 2009 - 16:02:26 CST
Archived on: Tue Nov 24 2009 - 16:02:29 CST