AMBER Archive (2009) - Apr 2009 By Author

Starting: Wed Apr 01 2009 - 02:26:46 CDT
Ending: Thu Apr 30 2009 - 19:37:17 CDT

• Alan
  • [AMBER] antechamber and wrong net charge with gasteiger method (Tue Apr 14 2009 - 12:41:30 CDT)
  • Re: [AMBER] why amber10/dat/leap/gleap/ and amber10/dat/leap/parm (Sun Apr 12 2009 - 10:58:18 CDT)
  • [AMBER] why amber10/dat/leap/gleap/ and amber10/dat/leap/parm (Sun Apr 12 2009 - 04:30:15 CDT)
  • [AMBER] zwitterionic form of ARG and antechamber (Mon Apr 06 2009 - 07:33:31 CDT)
  • [AMBER] testing RRR with antechamber (Mon Apr 06 2009 - 07:10:27 CDT)
  • [AMBER] NALA-ALA-CALA peptide with antechamber (Fri Apr 03 2009 - 11:33:17 CDT)
• Alessandro Nascimento
  • [AMBER] antechamber & multiple low-energy conformations (Fri Apr 03 2009 - 07:01:39 CDT)
  • Re: [AMBER] Failure to compile amber9 serial ifort gcc (Wed Apr 01 2009 - 06:09:42 CDT)
• Alessandro S. Nascimento
  • Re: [AMBER] hbond-error in amber9 (Thu Apr 30 2009 - 05:46:02 CDT)
• Andrew Voronkov
  • [AMBER] Papers on Amber package usage (Sun Apr 26 2009 - 00:07:42 CDT)
• aneesh cna
  • [AMBER] dipole autocorrelation functions (Tue Apr 28 2009 - 01:23:05 CDT)
  • [AMBER] problem with antechamber (Wed Apr 08 2009 - 01:32:32 CDT)
  • [AMBER] calculation of Pi-Pi interaction energy (Wed Apr 01 2009 - 07:01:51 CDT)
• Antonija Tomić
  • RE: [AMBER] Problems with running two separate jobs in the same time (Thu Apr 09 2009 - 05:33:03 CDT)
  • [AMBER] Problems with running two separate jobs in the same time (Tue Apr 07 2009 - 03:08:53 CDT)
• Antonio Morreale
  • [AMBER] Van der Waals atom types (Thu Apr 16 2009 - 09:39:14 CDT)
• Aravind S
  • Re: [AMBER] problem with the results in the .out file! (Thu Apr 02 2009 - 00:49:19 CDT)
• Arnaud
  • [AMBER] Umbrella test (Thu Apr 02 2009 - 04:51:01 CDT)
• Atro Tossavainen
  • Re: [AMBER] Testing parallel amber10: no libmkl_lapack.so (Wed Apr 08 2009 - 18:39:30 CDT)
  • Re: Fwd: [AMBER] Testing parallel amber10: no libmkl_lapack.so (Wed Apr 08 2009 - 18:36:53 CDT)
  • Re: [AMBER] Failures of tests (Wed Apr 08 2009 - 17:43:08 CDT)
  • Re: Fwd: [AMBER] Testing parallel amber10: no libmkl_lapack.so (Wed Apr 08 2009 - 17:25:54 CDT)
  • Re: [AMBER] Testing parallel amber10: no libmkl_lapack.so (Wed Apr 08 2009 - 17:24:52 CDT)
  • Re: [AMBER] Testing parallel amber10: no libmkl_lapack.so (Wed Apr 08 2009 - 06:20:27 CDT)
  • Re: [AMBER] Testing parallel amber10: no libmkl_lapack.so (Wed Apr 08 2009 - 04:35:17 CDT)
  • Re: [AMBER] errors while testing (Tue Apr 07 2009 - 05:18:08 CDT)
  • Re: [AMBER] ssh and make test.parallel (Mon Apr 06 2009 - 15:21:07 CDT)
  • Re: [AMBER] ssh and make test.parallel (Mon Apr 06 2009 - 05:33:21 CDT)
  • Re: [AMBER] parallel installation of amber on sun (Fri Apr 03 2009 - 17:33:52 CDT)
  • Re: [AMBER] parallel installation of amber on sun (Fri Apr 03 2009 - 16:40:42 CDT)
  • Re: [AMBER] parallel installation of amber on sun (Fri Apr 03 2009 - 04:39:25 CDT)
  • Re: [AMBER] parallel installation of amber on sun (Thu Apr 02 2009 - 15:23:05 CDT)
• Bala subramanian
  • Re: [AMBER] basepair (Tue Apr 14 2009 - 06:09:21 CDT)
  • Re: [AMBER] How to delete the frames at specific intervals (Fri Apr 03 2009 - 04:55:35 CDT)
  • Re: [AMBER] How to find out residence time of water molecules (Fri Apr 03 2009 - 01:12:18 CDT)
  • [AMBER] explicit ion with igb=1 (Thu Apr 02 2009 - 08:39:10 CDT)
• balaji nagarajan
  • [AMBER] hbond-error in amber9 (Wed Apr 29 2009 - 21:09:17 CDT)
  • RE: [AMBER] reg-TMD (Wed Apr 29 2009 - 20:44:32 CDT)
  • RE: [AMBER] reg-TMD (Wed Apr 29 2009 - 06:54:59 CDT)
  • RE: [AMBER] reg-TMD (Wed Apr 29 2009 - 06:25:50 CDT)
  • RE: [AMBER] reg-TMD (Tue Apr 28 2009 - 23:16:17 CDT)
  • [AMBER] reg-TMD (Tue Apr 28 2009 - 10:23:34 CDT)
  • [AMBER] help_me to know the reason (Fri Apr 17 2009 - 23:30:07 CDT)
  • RE: [AMBER] help- regarding - TMD (Thu Apr 16 2009 - 12:01:39 CDT)
  • RE: [AMBER] help- regarding - TMD (Thu Apr 16 2009 - 00:21:26 CDT)
  • [AMBER] help- regarding - TMD (Wed Apr 15 2009 - 11:19:59 CDT)
  • [AMBER] hbond_ptraj_eror (Wed Apr 15 2009 - 01:53:29 CDT)
  • [AMBER] problem with explicit solvent in TMD (Mon Apr 13 2009 - 06:37:21 CDT)
  • [AMBER] basepair (Fri Apr 10 2009 - 00:30:57 CDT)
  • RE: [AMBER] problem in input (Thu Apr 02 2009 - 15:23:18 CDT)
  • [AMBER] problem in input (Thu Apr 02 2009 - 05:29:39 CDT)
• Barbault Florent
  • Re: [AMBER] The PDB file was not recognized by Amber, what can i do? (Wed Apr 29 2009 - 01:56:09 CDT)
  • Re: [AMBER] The PDB file was not recognized by Amber, what can i do? (Tue Apr 28 2009 - 18:00:55 CDT)
  • Re: [AMBER] amber question (Sun Apr 26 2009 - 03:48:31 CDT)
• Beale, John
  • [AMBER] radius of gyration (Fri Apr 17 2009 - 06:39:31 CDT)
  • [AMBER] Contour plot (Thu Apr 02 2009 - 14:31:22 CDT)
• bharat lakhani
  • [AMBER] how to add charge on metal ions (Thu Apr 30 2009 - 01:44:46 CDT)
  • [AMBER] please read this mail (Sat Apr 18 2009 - 02:38:12 CDT)
  • [AMBER] please help me out (Thu Apr 16 2009 - 01:41:08 CDT)
  • Re: [AMBER] how to add charge in metal ion (Tue Apr 14 2009 - 07:49:44 CDT)
  • [AMBER] please help me out (Thu Apr 09 2009 - 00:10:22 CDT)
  • [AMBER] please help me out (Wed Apr 08 2009 - 04:18:41 CDT)
  • [AMBER] how to add charge in metal ion (Tue Apr 07 2009 - 04:11:23 CDT)
  • [AMBER] please help me out (Thu Apr 02 2009 - 05:13:48 CDT)
• Bill Ross
  • RE: [AMBER] Nonterminal, was not found in name map (Wed Apr 29 2009 - 00:05:12 CDT)
  • Re: [AMBER] ANAL problems (Tue Apr 28 2009 - 15:40:59 CDT)
  • Re: [AMBER] Restraining counterions? (Tue Apr 28 2009 - 13:59:52 CDT)
  • Re: [AMBER] Best rms fit for correlation and covariance analysis (Tue Apr 28 2009 - 11:57:10 CDT)
  • Re: [AMBER] Problem with RNA hairpin unwinding in explicit water (Thu Apr 23 2009 - 12:53:40 CDT)
  • Re: [AMBER] Creating conditions for biased MD (Wed Apr 22 2009 - 11:19:20 CDT)
  • Re: [AMBER] Sander and multiple residues (Fri Apr 10 2009 - 15:42:14 CDT)
  • Re: [AMBER] Sander and multiple residues (Fri Apr 10 2009 - 11:42:36 CDT)
  • Re: [AMBER] Sander and multiple residues (Thu Apr 09 2009 - 15:12:10 CDT)
• Brent Krueger
  • Re: [AMBER] CY3 dye parameters (Sat Apr 25 2009 - 14:33:40 CDT)
• Carlos Simmerling
  • Re: [AMBER] Amber FF and Glycam (Thu Apr 30 2009 - 13:36:21 CDT)
  • Re: [AMBER] reg-TMD (Wed Apr 29 2009 - 06:33:40 CDT)
  • Re: [AMBER] reg-TMD (Wed Apr 29 2009 - 05:28:35 CDT)
  • Re: [AMBER] The PDB file was not recognized by Amber, what can i do? (Tue Apr 28 2009 - 17:03:57 CDT)
  • Re: [AMBER] reg-TMD (Tue Apr 28 2009 - 12:48:18 CDT)
  • Re: [AMBER] Error with calculation of the potential energy (Mon Apr 27 2009 - 06:08:47 CDT)
  • Re: [AMBER] Simulated annealing (Fri Apr 24 2009 - 10:44:02 CDT)
  • Re: [AMBER] Simulated annealing (Fri Apr 24 2009 - 09:49:40 CDT)
  • Re: [AMBER] error in output file (Thu Apr 23 2009 - 06:42:02 CDT)
  • Re: [AMBER] Problem with RNA hairpin unwinding in explicit water (Wed Apr 22 2009 - 17:53:33 CDT)
  • Re: [AMBER] Problem with RNA hairpin unwinding in explicit water (Wed Apr 22 2009 - 17:25:47 CDT)
  • Re: [AMBER] help regarding step size (Wed Apr 22 2009 - 06:03:28 CDT)
  • Re: [AMBER] help regarding step size (Wed Apr 22 2009 - 05:13:54 CDT)
  • Re: [AMBER] help- regarding - TMD (Tue Apr 21 2009 - 18:35:42 CDT)
  • Re: [AMBER] Set start timestep for mdcrd traj output (Tue Apr 21 2009 - 18:26:02 CDT)
  • Re: [AMBER] Creating conditions for biased MD (Tue Apr 21 2009 - 16:32:09 CDT)
  • Re: [AMBER] help- regarding - TMD (Tue Apr 21 2009 - 16:23:23 CDT)
  • Re: [AMBER] help- regarding - TMD (Tue Apr 21 2009 - 14:46:41 CDT)
  • Re: [AMBER] Creating conditions for biased MD (Tue Apr 21 2009 - 14:44:03 CDT)
  • Re: [AMBER] Creating conditions for biased MD (Mon Apr 20 2009 - 13:46:41 CDT)
  • Re: [AMBER] help- regarding - TMD (Mon Apr 20 2009 - 10:30:52 CDT)
  • Re: [AMBER] help- regarding - TMD (Mon Apr 20 2009 - 10:12:40 CDT)
  • Re: [AMBER] Atom type error (Sun Apr 19 2009 - 06:06:07 CDT)
  • Re: [AMBER] about saltcon (Sun Apr 19 2009 - 05:49:57 CDT)
  • Re: [AMBER] Backbone restraint (Sat Apr 18 2009 - 06:08:39 CDT)
  • Re: [AMBER] help_me to know the reason (Sat Apr 18 2009 - 05:53:50 CDT)
  • Re: [AMBER] Backbone restraint (Fri Apr 17 2009 - 21:35:26 CDT)
  • Re: [AMBER] Density in MD simulation (Fri Apr 17 2009 - 11:10:51 CDT)
  • Re: [AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ? (Wed Apr 15 2009 - 08:33:00 CDT)
  • Re: [AMBER] problem with explicit solvent in TMD (Mon Apr 13 2009 - 06:41:41 CDT)
  • Re: [AMBER] Sander and multiple residues (Thu Apr 09 2009 - 15:05:23 CDT)
  • Re: [AMBER] Sander and multiple residues (Thu Apr 09 2009 - 14:21:56 CDT)
  • Re: [AMBER] ntwr (Wed Apr 08 2009 - 17:45:57 CDT)
  • Re: [AMBER] ntwr (Wed Apr 08 2009 - 16:47:04 CDT)
  • Re: [AMBER] A question about SMD force constant (Tue Apr 07 2009 - 05:32:09 CDT)
  • Re: Re: [AMBER] sander.MPI parallel run problem (Mon Apr 06 2009 - 06:02:13 CDT)
  • Re: [AMBER] sander.MPI parallel run problem (Mon Apr 06 2009 - 05:09:11 CDT)
  • Re: [AMBER] faulty .rst file with "************" signs for the coordinates of a certain molecule. (Mon Apr 06 2009 - 05:07:09 CDT)
  • Re: [AMBER] Error in trajin and rms (Thu Apr 02 2009 - 14:19:39 CDT)
  • Re: [AMBER] Averaging simulations (Thu Apr 02 2009 - 10:24:28 CDT)
  • Re: [AMBER] explicit ion with igb=1 (Thu Apr 02 2009 - 08:53:54 CDT)
  • Re: [AMBER] Help: An error happened when I calculate mm/pbsa (Thu Apr 02 2009 - 06:19:04 CDT)
  • Re: [AMBER] Maxwell-Boltzmann distribution and ig=-1 (Wed Apr 01 2009 - 06:01:51 CDT)
• case
  • Re: [AMBER] Water-molecules (Sun Apr 26 2009 - 17:35:36 CDT)
• Catein Catherine
  • RE: [AMBER] ERROR In Restraint file. (Tue Apr 28 2009 - 18:32:26 CDT)
  • [AMBER] ERROR In Restraint file. (Tue Apr 28 2009 - 10:27:18 CDT)
  • [AMBER] ERROR In Restraint file. (Tue Apr 28 2009 - 10:12:34 CDT)
• chenquan
  • RE: [AMBER] mean of character in frcmod.ff03 (Wed Apr 15 2009 - 18:36:32 CDT)
  • [AMBER] mean of character in frcmod.ff03 (Wed Apr 15 2009 - 07:26:38 CDT)
  • [AMBER] Could not find angle parameter (Fri Apr 03 2009 - 05:46:47 CDT)
  • [AMBER] (no subject) (Fri Apr 03 2009 - 05:12:14 CDT)
• Chris Moth
  • Re: [AMBER] bintraj and amber 10 (Thu Apr 23 2009 - 12:46:44 CDT)
  • [AMBER] Source of new CYX residue parameters in ff03ua (Tue Apr 14 2009 - 19:42:33 CDT)
  • [AMBER] Source of new CYX residue parameters in ff03ua (Tue Apr 07 2009 - 14:48:46 CDT)
• Christopher Materese
  • [AMBER] uncharged c and n terminal amino acids (Wed Apr 22 2009 - 13:05:38 CDT)
• Cihan Aydin
  • [AMBER] Best rms fit for correlation and covariance analysis (Tue Apr 28 2009 - 00:02:14 CDT)
• Collins Nganou
  • [AMBER] Make parallel test faillure (Thu Apr 30 2009 - 14:36:55 CDT)
  • [AMBER] (no subject) (Thu Apr 30 2009 - 14:34:36 CDT)
  • [AMBER] Request an error (Thu Apr 30 2009 - 12:41:48 CDT)
  • [AMBER] Bad value during integer read by sander (Thu Apr 16 2009 - 10:09:45 CDT)
• Dan Kaps
  • Re: [AMBER] atom types in pdb files (Mon Apr 13 2009 - 14:29:43 CDT)
  • [AMBER] atom types in pdb files (Mon Apr 13 2009 - 09:23:58 CDT)
  • Re: [AMBER] Sander and multiple residues (Fri Apr 10 2009 - 12:46:49 CDT)
  • Re: [AMBER] Sander and multiple residues (Fri Apr 10 2009 - 10:01:08 CDT)
  • Re: [AMBER] Sander and multiple residues (Fri Apr 10 2009 - 07:57:54 CDT)
  • Re: [AMBER] Sander and multiple residues (Fri Apr 10 2009 - 07:56:53 CDT)
  • Re: [AMBER] Sander and multiple residues (Thu Apr 09 2009 - 15:02:46 CDT)
  • [AMBER] Sander and multiple residues (Thu Apr 09 2009 - 13:48:55 CDT)
• David A. Case
  • Re: [AMBER] (no subject) (Thu Apr 30 2009 - 15:16:35 CDT)
  • Re: [AMBER] chain restrain x TI (Thu Apr 30 2009 - 13:01:13 CDT)
  • Re: [AMBER] Influence about HIS-HIE-HIS-HIP (Thu Apr 30 2009 - 09:27:02 CDT)
  • Re: [AMBER] input error in TI calculation (Wed Apr 29 2009 - 13:48:04 CDT)
  • Re: [AMBER] (no subject) (Wed Apr 29 2009 - 12:56:28 CDT)
  • Re: [AMBER] ERROR In Restraint file. (Tue Apr 28 2009 - 19:05:23 CDT)
  • Re: [AMBER] ERROR In Restraint file. (Tue Apr 28 2009 - 11:17:36 CDT)
  • Re: [AMBER] Polarizable force field problem: non constant total Energy, EPOLZ is increasing (Mon Apr 27 2009 - 12:30:55 CDT)
  • Re: [AMBER] Papers on Amber package usage (Sun Apr 26 2009 - 07:48:31 CDT)
  • Re: [AMBER] Unit name with loadMol2 command (Thu Apr 23 2009 - 17:54:02 CDT)
  • [AMBER] NAB bug with parmbsc0 (Thu Apr 23 2009 - 11:25:27 CDT)
  • Re: [AMBER] nmod no run proprely in mmbsa (Thu Apr 23 2009 - 07:47:44 CDT)
  • Re: [AMBER] uncharged c and n terminal amino acids (Wed Apr 22 2009 - 13:16:19 CDT)
  • Re: [AMBER] atom numbers (Tue Apr 21 2009 - 12:26:32 CDT)
  • Re: [AMBER] atom numbers (Tue Apr 21 2009 - 10:52:22 CDT)
  • Re: [AMBER] atom numbers (Tue Apr 21 2009 - 06:54:37 CDT)
  • Re: [AMBER] Atom type error (Sun Apr 19 2009 - 12:41:11 CDT)
  • Re: [AMBER] please read this mail (Sat Apr 18 2009 - 08:01:08 CDT)
  • [AMBER] Amber and CHARMM summer school (Thu Apr 16 2009 - 10:04:18 CDT)
  • Re: [AMBER] 1-4 vdW, GB MM difference (Thu Apr 16 2009 - 09:47:55 CDT)
  • Re: [AMBER] ambertools failed - SMP IA64 (Thu Apr 16 2009 - 09:10:20 CDT)
  • Re: [AMBER] specification of antechamber AC file format? (Thu Apr 16 2009 - 07:29:46 CDT)
  • Re: [AMBER] my FF (Wed Apr 15 2009 - 07:28:16 CDT)
  • Re: [AMBER] hpux sander.serial failure info (Wed Apr 15 2009 - 07:07:45 CDT)
  • Re: [AMBER] water bonding with protein (Wed Apr 15 2009 - 06:58:17 CDT)
  • Re: [AMBER] antechamber and wrong net charge with gasteiger method (Tue Apr 14 2009 - 13:42:14 CDT)
  • Re: [AMBER] restrained minimization (Mon Apr 13 2009 - 21:03:11 CDT)
  • Re: [AMBER] atom types in pdb files (Mon Apr 13 2009 - 15:25:04 CDT)
  • Re: [AMBER] Energy minimisation and NaN (Mon Apr 13 2009 - 14:28:10 CDT)
  • Re: [AMBER] Sander and multiple residues (Fri Apr 10 2009 - 09:03:57 CDT)
  • Re: [AMBER] RST file (Fri Apr 10 2009 - 07:21:19 CDT)
  • Re: [AMBER] igb=0 vs. igb=6 give different answers (Thu Apr 09 2009 - 21:48:31 CDT)
  • Re: [AMBER] antechamber problems (Thu Apr 09 2009 - 13:04:51 CDT)
  • Re: [AMBER] hpux sander.serial failure info (Thu Apr 09 2009 - 06:56:51 CDT)
  • Re: [AMBER] please help me out (Thu Apr 09 2009 - 06:46:12 CDT)
  • Re: [AMBER] please help me out (Wed Apr 08 2009 - 13:10:04 CDT)
  • Re: [AMBER] test/amoeba - forrtl: severe (64): input conversion error (Tue Apr 07 2009 - 15:41:21 CDT)
  • Re: [AMBER] prmtop residue format (Tue Apr 07 2009 - 15:35:40 CDT)
  • Re: [AMBER] test/amoeba - forrtl: severe (64): input conversion error (Tue Apr 07 2009 - 11:29:18 CDT)
  • Re: [AMBER] missing violations of the covalent geometry (Tue Apr 07 2009 - 06:10:42 CDT)
  • Re: [AMBER] deffision coefficient (Mon Apr 06 2009 - 21:16:39 CDT)
  • Re: [AMBER] Do I need to modify the cap residues (Mon Apr 06 2009 - 13:57:02 CDT)
  • Re: [AMBER] Amber with AMOEBA force-field (Mon Apr 06 2009 - 08:00:47 CDT)
  • Re: [AMBER] Amber with AMOEBA force-field (Mon Apr 06 2009 - 07:47:11 CDT)
  • Re: [AMBER] error in MM PBSA (Sat Apr 04 2009 - 16:16:42 CDT)
  • Re: [AMBER] constant-pH: appearance of not titrated residues during the Monte Carlo simulation (Sat Apr 04 2009 - 08:20:28 CDT)
  • Re: [AMBER] Umbrella test (Sat Apr 04 2009 - 08:12:13 CDT)
  • Re: [AMBER] NALA-ALA-CALA peptide with antechamber (Sat Apr 04 2009 - 08:04:32 CDT)
  • Re: [AMBER] amber9 serial compilation issues (Fri Apr 03 2009 - 15:01:02 CDT)
  • Re: [AMBER] (no subject) (Fri Apr 03 2009 - 07:17:36 CDT)
  • Re: [AMBER] please help me out (Thu Apr 02 2009 - 12:48:10 CDT)
  • Re: [AMBER] yacc parser (Thu Apr 02 2009 - 07:03:06 CDT)
  • Re: [AMBER] ambmol2? (Wed Apr 01 2009 - 08:19:00 CDT)
• Dechang Li
  • Re: [AMBER] how to plot this kind of map? (Thu Apr 09 2009 - 03:46:16 CDT)
  • Re: Re: Re: [AMBER] sander.MPI parallel run problem (Mon Apr 06 2009 - 06:09:04 CDT)
  • Re: Re: [AMBER] sander.MPI parallel run problem (Mon Apr 06 2009 - 05:56:53 CDT)
  • [AMBER] sander.MPI parallel run problem (Mon Apr 06 2009 - 02:44:12 CDT)
• Dmitri Nilov
  • Re: [AMBER] Equilibrium bond lengths and angle values (Tue Apr 28 2009 - 05:56:38 CDT)
  • [AMBER] Equilibrium bond lengths and angle values (Fri Apr 24 2009 - 08:19:56 CDT)
• Dong Xu
  • [AMBER] MM-PBSA energy decomposition (Wed Apr 29 2009 - 21:03:34 CDT)
  • [AMBER] Amber FF and Glycam (Wed Apr 29 2009 - 20:42:55 CDT)
  • [AMBER] restraint constant (Sat Apr 25 2009 - 17:15:22 CDT)
  • Re: [AMBER] Disulfide bond (Tue Apr 21 2009 - 21:41:02 CDT)
  • [AMBER] Disulfide bond (Tue Apr 21 2009 - 20:37:46 CDT)
  • Re: [AMBER] Set start timestep for mdcrd traj output (Tue Apr 21 2009 - 18:44:50 CDT)
  • [AMBER] Flexible ring simulation (Tue Apr 21 2009 - 18:04:55 CDT)
• Dr. Debaprasad Giri
  • Re: [AMBER] problem in installing AMBER10 (Sat Apr 04 2009 - 07:13:46 CDT)
• E.M.
  • [AMBER] ANAL problems (Tue Apr 28 2009 - 15:12:04 CDT)
• Ed Pate
  • [AMBER] ambmask question (Mon Apr 06 2009 - 23:36:40 CDT)
  • [AMBER] ptraj problem (Fri Apr 03 2009 - 15:13:37 CDT)
• Edward M
  • Re: [AMBER] ANAL problems (Tue Apr 28 2009 - 18:01:34 CDT)
• Farly Walsh
  • Re: [AMBER] AmberTools compiling error (Wed Apr 29 2009 - 14:49:27 CDT)
  • [AMBER] AmberTools compiling error (Sun Apr 26 2009 - 19:40:38 CDT)
• Francesco Pietra
  • [AMBER] Restraining counterions? (Tue Apr 28 2009 - 12:32:18 CDT)
  • Re: [AMBER] Creating conditions for biased MD (Wed Apr 22 2009 - 13:01:39 CDT)
  • Re: [AMBER] Creating conditions for biased MD (Wed Apr 22 2009 - 05:16:11 CDT)
  • Re: [AMBER] Creating conditions for biased MD (Tue Apr 21 2009 - 16:49:14 CDT)
  • Re: [AMBER] Creating conditions for biased MD (Tue Apr 21 2009 - 16:29:36 CDT)
  • Re: [AMBER] Creating conditions for biased MD (Tue Apr 21 2009 - 13:40:35 CDT)
  • Re: [AMBER] Creating conditions for biased MD (Mon Apr 20 2009 - 12:31:52 CDT)
  • Re: [AMBER] Testing parallel amber10: no libmkl_lapack.so (Sun Apr 19 2009 - 09:36:02 CDT)
  • Re: Fwd: [AMBER] Testing parallel amber10: no libmkl_lapack.so (Wed Apr 08 2009 - 18:20:02 CDT)
  • Re: [AMBER] Testing parallel amber10: no libmkl_lapack.so (Wed Apr 08 2009 - 18:17:38 CDT)
  • Fwd: [AMBER] Testing parallel amber10: no libmkl_lapack.so (Wed Apr 08 2009 - 10:23:58 CDT)
  • Re: [AMBER] Testing parallel amber10: no libmkl_lapack.so (Wed Apr 08 2009 - 10:14:43 CDT)
  • Re: [AMBER] Testing parallel amber10: no libmkl_lapack.so (Wed Apr 08 2009 - 05:03:09 CDT)
  • Re: [AMBER] ssh and make test.parallel (Wed Apr 08 2009 - 02:19:36 CDT)
  • [AMBER] Testing parallel amber10: no libmkl_lapack.so (Tue Apr 07 2009 - 13:56:25 CDT)
  • Re: [AMBER] ssh and make test.parallel (Mon Apr 06 2009 - 09:29:19 CDT)
  • [AMBER] ssh and make test.parallel (Mon Apr 06 2009 - 04:58:39 CDT)
  • Re: [AMBER] amber9 serial compilation issues (Fri Apr 03 2009 - 17:04:17 CDT)
  • [AMBER] amber9 serial compilation issues (Fri Apr 03 2009 - 13:38:12 CDT)
  • Re: [AMBER] Failure to compile amber9 serial ifort gcc (Thu Apr 02 2009 - 11:00:46 CDT)
  • Re: [AMBER] yacc parser (Thu Apr 02 2009 - 10:37:53 CDT)
  • Re: [AMBER] Failure to compile amber9 serial ifort gcc (Thu Apr 02 2009 - 06:16:36 CDT)
  • [AMBER] Fwd: yacc parser (Wed Apr 01 2009 - 15:53:01 CDT)
  • [AMBER] yacc parser (Wed Apr 01 2009 - 09:58:01 CDT)
  • [AMBER] Failure to compile amber9 serial ifort gcc (Wed Apr 01 2009 - 06:04:18 CDT)
• FyD
  • Re: [AMBER] REd program! (Wed Apr 29 2009 - 08:53:12 CDT)
  • Re: [AMBER] CY3 dye parameters (Sat Apr 25 2009 - 01:04:22 CDT)
  • Re: [AMBER] Equilibrium bond lengths and angle values (Fri Apr 24 2009 - 16:05:42 CDT)
  • Re: [AMBER] Amber Sulfate Ion Parameters (Thu Apr 23 2009 - 01:07:40 CDT)
  • Re: [AMBER] Amber Sulfate Ion Parameters (Thu Apr 23 2009 - 00:18:28 CDT)
  • Re: [AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ? - Last detail (Mon Apr 20 2009 - 09:50:12 CDT)
  • Re: [AMBER] missing amber force field parameters (Thu Apr 16 2009 - 04:41:44 CDT)
  • [AMBER] Release of R.E.D. Server (Thu Apr 09 2009 - 03:31:30 CDT)
  • Re: [AMBER] Problem with CAP residues (Tue Apr 07 2009 - 06:01:35 CDT)
  • Re: [AMBER] LYN again (Mon Apr 06 2009 - 09:26:14 CDT)
  • Re: [AMBER] LYN again (Sun Apr 05 2009 - 14:24:27 CDT)
• Gary Clark
  • Re: [AMBER] Amber Sulfate Ion Parameters (Thu Apr 23 2009 - 14:55:24 CDT)
  • [AMBER] Amber Sulfate Ion Parameters (Wed Apr 22 2009 - 17:31:00 CDT)
• Gert von Helden
  • [AMBER] polarizable force field for 18-crown-6 (Thu Apr 16 2009 - 12:33:15 CDT)
• Giorgos Lamprinidis
  • Re: [AMBER] mm_pbsa problem (Wed Apr 01 2009 - 02:36:53 CDT)
• Gustavo Seabra
  • Re: [AMBER] force fields (Wed Apr 15 2009 - 07:43:49 CDT)
  • Re: [AMBER] Contour plot (Thu Apr 02 2009 - 14:47:14 CDT)
• Han Ming
  • Re: [AMBER] fillratio error in mmpbsa (Wed Apr 01 2009 - 10:06:08 CDT)
• Hannes Kopitz
  • Re: [AMBER] MM-PBSA energy decomposition (Thu Apr 30 2009 - 05:37:35 CDT)
• Hannes Loeffler
  • Re: [AMBER] How to find out residence time of water molecules (Fri Apr 03 2009 - 02:31:32 CDT)
• Hannes Wallnoefer
  • [AMBER] input error in TI calculation (Wed Apr 29 2009 - 10:40:58 CDT)
  • Re: [AMBER] TI production runs stop after a certain Step number (Wed Apr 08 2009 - 10:14:32 CDT)
  • Re: [AMBER] TI production runs stop after a certain Step number (Wed Apr 08 2009 - 06:48:31 CDT)
  • [AMBER] TI production runs stop after a certain Step number (Tue Apr 07 2009 - 06:48:45 CDT)
• Helena P M Tossavainen
  • Re: [AMBER] missing violations of the covalent geometry (Tue Apr 07 2009 - 07:10:16 CDT)
  • [AMBER] missing violations of the covalent geometry (Tue Apr 07 2009 - 04:36:44 CDT)
• Hemant Gangwar
  • Re: [AMBER] error in MM PBSA (Sat Apr 04 2009 - 12:08:08 CDT)
• Hemant Kumar
  • Re: [AMBER] error in output file (Thu Apr 23 2009 - 07:20:25 CDT)
  • [AMBER] parameter for amoeba (Sat Apr 04 2009 - 06:46:01 CDT)
• Hopkins, Robert
  • RE: [Subject Filtered] [AMBER] hbond-error in amber9 8% (Thu Apr 30 2009 - 19:02:34 CDT)
  • RE: [AMBER] Problem reading PDB file into XLEAP - SLEAP (Wed Apr 01 2009 - 18:10:44 CDT)
• Houyang Chen
  • RE: [AMBER] The PDB file was not recognized by Amber, what can i do? (Wed Apr 29 2009 - 17:17:51 CDT)
  • RE: [AMBER] The PDB file was not recognized by Amber, what can i do? (Tue Apr 28 2009 - 22:42:39 CDT)
  • [AMBER] The PDB file was not recognized by Amber, what can i do? (Tue Apr 28 2009 - 17:00:05 CDT)
• Hu, Shaowen (JSC-SK)[Universities Space Research Association USRA].
  • RE: [AMBER] reg-TMD (Wed Apr 29 2009 - 15:56:07 CDT)
  • RE: [AMBER] help- regarding - TMD (Tue Apr 21 2009 - 17:40:36 CDT)
  • RE: [AMBER] help- regarding - TMD (Tue Apr 21 2009 - 15:25:15 CDT)
  • RE: [AMBER] help- regarding - TMD (Mon Apr 20 2009 - 11:21:06 CDT)
  • RE: [AMBER] help- regarding - TMD (Mon Apr 20 2009 - 10:28:30 CDT)
  • RE: [AMBER] help- regarding - TMD (Mon Apr 20 2009 - 10:05:38 CDT)
  • RE: [AMBER] help- regarding - TMD (Thu Apr 16 2009 - 08:30:22 CDT)
  • RE: [AMBER] help- regarding - TMD (Wed Apr 15 2009 - 12:56:07 CDT)
  • [AMBER] Questions on targeted MD with explicit solvent (Tue Apr 14 2009 - 08:51:40 CDT)
• Hugh Heldenbrand
  • [AMBER] igb=0 vs. igb=6 give different answers (Thu Apr 09 2009 - 15:51:02 CDT)
  • Re: [AMBER] please help me out (Wed Apr 08 2009 - 10:44:54 CDT)
• Ibrahim Moustafa
  • Re: [AMBER] Density in MD simulation (Fri Apr 17 2009 - 18:26:46 CDT)
  • [AMBER] Density in MD simulation (Fri Apr 17 2009 - 11:09:16 CDT)
• iccy liu
  • RE: [AMBER] Error in trajin and rms (Thu Apr 02 2009 - 14:19:16 CDT)
  • [AMBER] long polymer chain and image command in ptraj (Thu Apr 02 2009 - 14:11:26 CDT)
• Ignacio J. General
  • Re: [AMBER] Partial interactions (Fri Apr 24 2009 - 12:11:31 CDT)
  • Re: [AMBER] Partial interactions (Fri Apr 24 2009 - 09:49:07 CDT)
  • Re: [AMBER] Partial interactions (Wed Apr 22 2009 - 14:02:00 CDT)
  • Re: [AMBER] Partial interactions (Tue Apr 21 2009 - 09:31:26 CDT)
  • [AMBER] Partial interactions (Mon Apr 20 2009 - 16:07:24 CDT)
  • Re: [AMBER] Thermodynamic Integration and belly (Mon Apr 13 2009 - 12:26:16 CDT)
  • [AMBER] Thermodynamic Integration and belly (Mon Apr 13 2009 - 10:24:15 CDT)
  • [AMBER] Thermodynamic Integration and belly (Wed Apr 08 2009 - 14:52:51 CDT)
• Ilyas Yildirim
  • Re: [AMBER] TI production runs stop after a certain Step number (Tue Apr 07 2009 - 14:08:31 CDT)
• Jackie. J. Shen
  • Re: Re: [AMBER] Backbone restraint (Mon Apr 20 2009 - 20:12:13 CDT)
  • [AMBER] A question about SMD force constant (Mon Apr 06 2009 - 20:40:13 CDT)
• Jacopo Sgrignani
  • [AMBER] calculation of Pi-Pi interaction energy (Wed Apr 01 2009 - 07:24:28 CDT)
• jcmoore_at_student.umass.edu
  • [AMBER] CY3 dye parameters (Thu Apr 23 2009 - 16:42:59 CDT)
• Jenny Iskrenova
  • [AMBER] Negative "number of measurements" in PTRAJ (Mon Apr 06 2009 - 12:28:59 CDT)
• Jia Xu
  • Re: [AMBER] antechamber problems (Fri Apr 10 2009 - 09:41:53 CDT)
  • [AMBER] antechamber problems (Thu Apr 09 2009 - 12:12:44 CDT)
• Jim Parker
  • [AMBER] Re: install and test Amber 10 parallel on Ubuntu 8.10 (Sat Apr 11 2009 - 23:47:19 CDT)
  • [AMBER] install and test Amber 10 parallel on Ubuntu 8.10 (Sat Apr 11 2009 - 19:20:25 CDT)
  • Re: [AMBER] Solved-Amber 1.2 tools test suite failure (Sat Apr 11 2009 - 14:29:55 CDT)
  • [AMBER] Amber 1.2 tools test suite failure? (Sat Apr 11 2009 - 12:41:54 CDT)
• Jimmy Heimdal
  • [AMBER] 1-4 vdW, GB MM difference (Thu Apr 16 2009 - 06:57:01 CDT)
• Jiri Sponer
  • Re: [AMBER] calculation of Pi-Pi interaction energy (Wed Apr 01 2009 - 07:38:49 CDT)
• john smith
  • [AMBER] pmemd compilation error (Mon Apr 27 2009 - 22:30:21 CDT)
• Jorgen Simonsen
  • [AMBER] Regarding syntax for freezing different atoms (Thu Apr 23 2009 - 07:50:43 CDT)
• Josmar R. da Rocha
  • [AMBER] chain restrain x TI (Wed Apr 29 2009 - 17:04:52 CDT)
• Karl Kirschner
  • Re: [AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ? - Last detail (Thu Apr 23 2009 - 08:54:14 CDT)
  • Re: [AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ? - Last detail (Thu Apr 23 2009 - 06:43:31 CDT)
  • Re: [AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ? - Last detail (Tue Apr 21 2009 - 02:24:18 CDT)
  • Re: [AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ? - Last detail (Mon Apr 20 2009 - 07:27:45 CDT)
  • Re: [AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ? (Wed Apr 15 2009 - 02:07:00 CDT)
  • Re: [AMBER] long polymer chain and image command in ptraj (Mon Apr 06 2009 - 03:15:00 CDT)
  • Re: [AMBER] FF Parameters Transformations ...? (Mon Apr 06 2009 - 02:39:31 CDT)
• Kijeong Kwac
  • [AMBER] AmberTools compilation error (Wed Apr 01 2009 - 14:04:00 CDT)
• Kristina Furse
  • RE: [AMBER] atom types in pdb files (Mon Apr 13 2009 - 11:30:05 CDT)
• Lachele Foley (Lists)
  • Re: [AMBER] Amber FF and Glycam (Thu Apr 30 2009 - 12:16:17 CDT)
  • Re: [AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ? (Fri Apr 17 2009 - 13:13:49 CDT)
• liu junjun
  • Re: [AMBER] parallel problem of QM/MM calculation for AMBER 9 (Tue Apr 28 2009 - 21:18:31 CDT)
  • [AMBER] parallel problem of QM/MM calculation for AMBER 9 (Tue Apr 28 2009 - 16:53:06 CDT)
• lnin_1431_at_sina.com
  • [AMBER] how to plot this kind of map? (Thu Apr 09 2009 - 03:36:45 CDT)
• Lucilla Angeli
  • [AMBER] MM-PBSA: decompose energy error (Mon Apr 06 2009 - 09:35:58 CDT)
• m m
  • [AMBER] my FF (Tue Apr 14 2009 - 17:21:38 CDT)
  • [AMBER] compare MMPBSA result (Wed Apr 08 2009 - 01:28:06 CDT)
  • [AMBER] fillratio error in mmpbsa (Wed Apr 01 2009 - 06:42:45 CDT)
• M. L. Dodson
  • Re: [AMBER] Testing parallel amber10: no libmkl_lapack.so (Wed Apr 08 2009 - 11:06:09 CDT)
• Mannan
  • [AMBER] How to find out residence time of water molecules (Thu Apr 02 2009 - 20:52:36 CDT)
  • [AMBER] How to delete the frames at specific intervals (Thu Apr 02 2009 - 20:16:49 CDT)
• Marek Malý
  • [AMBER] Mixing of forcefields in case of covaletly bonded systems (Mon Apr 27 2009 - 07:06:38 CDT)
  • Re: [AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ? - Last detail (Thu Apr 23 2009 - 09:30:07 CDT)
  • Re: [AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ? - Last detail (Thu Apr 23 2009 - 08:41:03 CDT)
  • Re: [AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ? - Last detail (Tue Apr 21 2009 - 21:31:34 CDT)
  • Re: [AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ? - Last detail (Mon Apr 20 2009 - 22:52:46 CDT)
  • [AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ? - Last detail (Mon Apr 20 2009 - 06:52:36 CDT)
  • Re: [AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ? (Thu Apr 16 2009 - 16:25:12 CDT)
  • Re: [AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ? (Tue Apr 14 2009 - 19:40:22 CDT)
  • Re: [AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ? (Tue Apr 14 2009 - 18:18:18 CDT)
  • [AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ? (Mon Apr 13 2009 - 22:29:17 CDT)
  • Re: [AMBER] FF Parameters Transformations ...? (Mon Apr 06 2009 - 15:03:58 CDT)
  • [AMBER] FF Parameters Transformations ...? (Wed Apr 01 2009 - 12:29:26 CDT)
• Marius Retegan
  • Re: [AMBER] LYN again (Mon Apr 06 2009 - 08:55:24 CDT)
  • [AMBER] LYN again (Sat Apr 04 2009 - 08:12:09 CDT)
  • Re: [AMBER] Could not find angle parameter (Fri Apr 03 2009 - 05:58:47 CDT)
  • Re: [AMBER] How to create parameter file for unknown residue (Fri Apr 03 2009 - 05:50:30 CDT)
  • Re: [AMBER] AmberTools compilation error (Wed Apr 01 2009 - 15:03:59 CDT)
• Mark M Huntress
  • [AMBER] water bonding with protein (Tue Apr 14 2009 - 21:55:39 CDT)
  • [AMBER] force fields (Wed Apr 08 2009 - 19:23:38 CDT)
• Mark Williamson
  • Re: [AMBER] yacc parser (Wed Apr 01 2009 - 12:15:56 CDT)
• Markus Kaukonen
  • Re: [AMBER] The PDB file was not recognized by Amber, what can i do? (Wed Apr 29 2009 - 02:16:30 CDT)
• Maryam Hamzehee
  • [AMBER] problem in calculation of binding energy in final step (MM-PBSA) (Tue Apr 07 2009 - 08:59:03 CDT)
• matthew_seetin_at_urmc.rochester.edu
  • RE: [AMBER] Problem with RNA hairpin unwinding in explicit water (Wed Apr 22 2009 - 18:59:02 CDT)
• michael bane
  • [AMBER] make test.serial.QMMM (Wed Apr 01 2009 - 10:44:51 CDT)
• Michael Zimmermann
  • [AMBER] Using AMBER force fields in NAMD (Tue Apr 28 2009 - 16:25:56 CDT)
• mohamed mohamed
  • [AMBER] nmod no run proprely in mmbsa (Thu Apr 23 2009 - 07:20:36 CDT)
• Nancy
  • [AMBER] deffision coefficient (Mon Apr 06 2009 - 20:18:32 CDT)
  • [AMBER] deffision (Sat Apr 04 2009 - 09:30:50 CDT)
• nandy_at_physics.iisc.ernet.in
  • [AMBER] Using smd with fixed atom (Sun Apr 26 2009 - 09:57:45 CDT)
• Naser Alijabbari
  • Re: [AMBER] bintraj and amber 10 (Sat Apr 25 2009 - 13:47:34 CDT)
  • Re: [AMBER] bintraj and amber 10 (Thu Apr 23 2009 - 19:37:06 CDT)
  • Re: [AMBER] bintraj and amber 10 (Wed Apr 22 2009 - 20:05:21 CDT)
  • [AMBER] bintraj and amber 10 (Wed Apr 22 2009 - 01:31:51 CDT)
  • [AMBER] Averaging simulations (Thu Apr 02 2009 - 10:21:41 CDT)
• Neha Gandhi
  • [AMBER] missing amber force field parameters (Thu Apr 16 2009 - 04:19:57 CDT)
• Nicholas Musolino
  • [AMBER] Unit name with loadMol2 command (Thu Apr 23 2009 - 14:30:30 CDT)
  • Re: [AMBER] specification of antechamber AC file format? (Thu Apr 16 2009 - 08:18:32 CDT)
  • Re: [AMBER] specification of antechamber AC file format? (Wed Apr 15 2009 - 17:07:32 CDT)
  • Re: [AMBER] antechamber problems (Thu Apr 09 2009 - 13:03:45 CDT)
  • Re: [AMBER] specification of antechamber AC file format? (Tue Apr 07 2009 - 14:43:57 CDT)
• nicholus bhattacharjee
  • Re: [AMBER] Atom type error (Sun Apr 19 2009 - 05:55:37 CDT)
  • Re: [AMBER] Do I need to modify the cap residues (Mon Apr 06 2009 - 23:51:22 CDT)
  • Re: [AMBER] Do I need to modify the cap residues (Mon Apr 06 2009 - 12:19:41 CDT)
  • [AMBER] Do I need to modify the cap residues (Mon Apr 06 2009 - 11:45:20 CDT)
  • [AMBER] problem with secstruct action command in ptraj (Mon Apr 06 2009 - 06:49:44 CDT)
  • [AMBER] How to create parameter file for unknown residue (Fri Apr 03 2009 - 05:33:03 CDT)
• oguz gurbulak
  • [AMBER] transport properties (Tue Apr 28 2009 - 09:11:05 CDT)
  • Re: [AMBER] a layer of water (Wed Apr 01 2009 - 02:26:46 CDT)
• Pansy Patel
  • RE: [AMBER] Error in trajin and rms (Thu Apr 02 2009 - 14:25:58 CDT)
  • [AMBER] Error in trajin and rms (Thu Apr 02 2009 - 13:58:47 CDT)
• Patrick Schopf
  • Re: [AMBER] Right force fields (Fri Apr 17 2009 - 08:34:04 CDT)
  • Re: [AMBER] Right force fields (Fri Apr 17 2009 - 07:48:14 CDT)
• Per Jr. Greisen
  • Re: [AMBER] Error with calculation of the potential energy (Mon Apr 27 2009 - 13:57:58 CDT)
  • Re: [AMBER] Error with calculation of the potential energy (Mon Apr 27 2009 - 12:11:32 CDT)
  • [AMBER] Error with calculation of the potential energy (Mon Apr 27 2009 - 06:03:44 CDT)
  • Re: [AMBER] Failures of tests (Thu Apr 09 2009 - 07:52:32 CDT)
  • Re: [AMBER] Failures of tests (Wed Apr 08 2009 - 11:17:16 CDT)
  • [AMBER] Failures of tests (Wed Apr 08 2009 - 10:41:34 CDT)
  • Re: [AMBER] errors while testing (Wed Apr 08 2009 - 06:06:40 CDT)
  • [AMBER] errors while testing (Tue Apr 07 2009 - 05:00:19 CDT)
  • Re: [AMBER] parallel installation of amber on sun (Fri Apr 03 2009 - 05:22:45 CDT)
  • Re: [AMBER] parallel installation of amber on sun (Thu Apr 02 2009 - 15:38:54 CDT)
  • [AMBER] parallel installation of amber on sun (Thu Apr 02 2009 - 14:02:47 CDT)
• Piotr Cieplak
  • RE: [AMBER] Using AMBER force fields in NAMD (Tue Apr 28 2009 - 17:23:15 CDT)
  • Re: [AMBER] Polarizable force field problem: non constant total Energy, EPOLZ is increasing (Mon Apr 27 2009 - 14:07:38 CDT)
  • Re: [AMBER] polarizable force field for 18-crown-6 (Fri Apr 17 2009 - 02:48:03 CDT)
• quantum_mania_at_yahoo.com
  • Re: [AMBER] Disulfide bond (Wed Apr 22 2009 - 00:25:45 CDT)
  • [AMBER] Set start timestep for mdcrd traj output (Tue Apr 21 2009 - 11:31:45 CDT)
  • [AMBER] Set start timestep for mdcrd traj output (Tue Apr 21 2009 - 11:38:53 CDT)
  • [AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ? (Fri Apr 17 2009 - 12:52:28 CDT)
  • [AMBER] restrained minimization (Mon Apr 13 2009 - 19:12:35 CDT)
  • [AMBER] MMPB(GB)SA on trimer (Tue Apr 07 2009 - 20:01:39 CDT)
  • [AMBER] PBSA Radii option (Tue Apr 07 2009 - 14:31:18 CDT)
• R. A.
  • [AMBER] REd program! (Tue Apr 28 2009 - 23:37:38 CDT)
• Rajesh Raju
  • Fwd: [AMBER] MM-GBSA Free enegy decomposition (Tue Apr 28 2009 - 06:28:17 CDT)
  • [AMBER] MM-GBSA Free enegy decomposition (Mon Apr 27 2009 - 07:27:23 CDT)
• Rausch, Felix
  • RE: [AMBER] problem in input (Fri Apr 03 2009 - 03:04:36 CDT)
  • RE: [AMBER] problem in input (Thu Apr 02 2009 - 06:08:27 CDT)
• Ray Luo
  • RE: [AMBER] compare MMPBSA result (Wed Apr 08 2009 - 12:02:41 CDT)
  • RE: [AMBER] fillratio error in mmpbsa (Wed Apr 01 2009 - 14:24:20 CDT)
• Rilei Yu
  • Re: [AMBER] Influence about HIS-HIE-HIS-HIP (Thu Apr 30 2009 - 19:37:17 CDT)
  • [AMBER] Influence about HIS-HIE-HIS-HIP (Wed Apr 29 2009 - 22:25:48 CDT)
  • Re: Re: [AMBER] Backbone restraint (Mon Apr 20 2009 - 20:21:09 CDT)
  • Re: [AMBER] Backbone restraint (Fri Apr 17 2009 - 22:29:12 CDT)
  • [AMBER] Backbone restraint (Fri Apr 17 2009 - 21:30:38 CDT)
• Robert Duke
  • Re: [AMBER] pmemd compilation error (Mon Apr 27 2009 - 23:09:15 CDT)
  • Re: [AMBER] Error with calculation of the potential energy (Mon Apr 27 2009 - 14:26:06 CDT)
  • Re: [AMBER] Error with calculation of the potential energy (Mon Apr 27 2009 - 13:46:43 CDT)
  • Re: [AMBER] Error with calculation of the potential energy (Mon Apr 27 2009 - 13:25:14 CDT)
  • Re: [AMBER] pmemd in amber10 - compile failed in HPC (Thu Apr 16 2009 - 07:24:45 CDT)
  • Re: [AMBER] pmemdcompilation/makefailed-mkl_vml_service_threader_z_1i_c_1o (Wed Apr 08 2009 - 08:35:49 CDT)
  • Re: [AMBER] pmemdcompilation/makefailed-mkl_vml_service_threader_z_1i_c_1o (Wed Apr 08 2009 - 07:13:23 CDT)
  • Re: [AMBER] pmemd compilation/makefailed-mkl_vml_service_threader_z_1i_c_1o (Tue Apr 07 2009 - 07:55:00 CDT)
  • Re: [AMBER] pmemd compilation/make failed-mkl_vml_service_threader_z_1i_c_1o (Tue Apr 07 2009 - 07:43:36 CDT)
  • Re: [AMBER] Sander Stalling (Mon Apr 06 2009 - 11:57:18 CDT)
  • Re: [AMBER] pmemd compilation/make failed -mkl_vml_service_threader_z_1i_c_1o (Mon Apr 06 2009 - 09:25:14 CDT)
• Ross Walker
  • RE: [AMBER] Make parallel test faillure (Thu Apr 30 2009 - 14:48:06 CDT)
  • RE: [AMBER] The PDB file was not recognized by Amber, what can i do? (Tue Apr 28 2009 - 22:56:27 CDT)
  • RE: [AMBER] Nonterminal, was not found in name map (Tue Apr 28 2009 - 21:49:50 CDT)
  • RE: [AMBER] parallel problem of QM/MM calculation for AMBER 9 (Tue Apr 28 2009 - 17:24:12 CDT)
  • RE: [AMBER] Using AMBER force fields in NAMD (Tue Apr 28 2009 - 17:17:06 CDT)
  • RE: [AMBER] AmberTools compiling error (Sun Apr 26 2009 - 20:55:06 CDT)
  • RE: [AMBER] bintraj and amber 10 (Thu Apr 23 2009 - 08:31:08 CDT)
  • RE: [AMBER] error in output file (Thu Apr 23 2009 - 08:28:18 CDT)
  • RE: [AMBER] Regarding syntax for freezing different atoms (Thu Apr 23 2009 - 08:24:55 CDT)
  • RE: [AMBER] Amber Installation problem (Thu Apr 23 2009 - 08:16:18 CDT)
  • RE: [AMBER] bintraj and amber 10 (Wed Apr 22 2009 - 05:59:47 CDT)
  • RE: [AMBER] My step size (Tue Apr 21 2009 - 06:27:07 CDT)
  • RE: [AMBER] Atom type error (Sun Apr 19 2009 - 16:23:38 CDT)
  • RE: [AMBER] mean of character in frcmod.ff03 (Wed Apr 15 2009 - 09:58:31 CDT)
  • RE: [AMBER] Source of new CYX residue parameters in ff03ua (Tue Apr 14 2009 - 23:08:14 CDT)
  • RE: [AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ? (Tue Apr 14 2009 - 18:27:37 CDT)
  • RE: [AMBER] [qm/mm] qmcharge for acidic a.a. in proteins (Tue Apr 14 2009 - 14:45:06 CDT)
  • RE: [AMBER] Possibility to use ff99 + GAFF + GLYCAM_06 in one time for complex system ? (Mon Apr 13 2009 - 23:10:38 CDT)
  • RE: [AMBER] problem with explicit solvent in TMD (Mon Apr 13 2009 - 10:29:11 CDT)
  • RE: [AMBER] Solved-Amber 1.2 tools test suite failure (Sat Apr 11 2009 - 14:51:13 CDT)
  • RE: [AMBER] Amber 1.2 tools test suite failure? (Sat Apr 11 2009 - 13:00:45 CDT)
  • RE: [AMBER] force fields (Wed Apr 08 2009 - 19:36:05 CDT)
  • RE: [AMBER] please help me out (Wed Apr 08 2009 - 10:34:51 CDT)
  • RE: [AMBER] pmemdcompilation/makefailed-mkl_vml_service_threade_z_1i_c_1o (Wed Apr 08 2009 - 09:53:31 CDT)
  • RE: [AMBER] how to add charge in metal ion (Tue Apr 07 2009 - 10:01:14 CDT)
  • RE: [AMBER] Problems with running two separate jobs in the same time (Tue Apr 07 2009 - 10:01:14 CDT)
  • RE: [AMBER] Do I need to modify the cap residues (Mon Apr 06 2009 - 23:59:37 CDT)
  • RE: [AMBER] Amber on GPU (Mon Apr 06 2009 - 20:14:07 CDT)
  • RE: [AMBER] Do I need to modify the cap residues (Mon Apr 06 2009 - 12:00:05 CDT)
  • RE: [AMBER] Sander Stalling (Mon Apr 06 2009 - 11:58:58 CDT)
  • RE: [AMBER] Failure to compile amber9 serial ifort gcc (Thu Apr 02 2009 - 10:45:19 CDT)
• Sandro L. Fornili
  • [AMBER] ptraj and namd charmm dcd (Wed Apr 01 2009 - 10:59:37 CDT)
• sarah genare
  • [AMBER] run protein with structural Ca+ (Wed Apr 01 2009 - 06:01:24 CDT)
• Sasha Buzko
  • Re: [AMBER] Problem with RNA hairpin unwinding in explicit water (Fri Apr 24 2009 - 12:20:13 CDT)
  • Re: [AMBER] Problem with RNA hairpin unwinding in explicit water (Thu Apr 23 2009 - 12:55:58 CDT)
  • Re: [AMBER] Problem with RNA hairpin unwinding in explicit water (Wed Apr 22 2009 - 18:59:14 CDT)
  • Re: [AMBER] Problem with RNA hairpin unwinding in explicit water (Wed Apr 22 2009 - 18:10:55 CDT)
  • Re: [AMBER] Problem with RNA hairpin unwinding in explicit water (Wed Apr 22 2009 - 17:34:35 CDT)
  • [AMBER] Problem with RNA hairpin unwinding in explicit water (Wed Apr 22 2009 - 16:55:58 CDT)
  • [AMBER] MD on GPU: an existing commercial implementation (Sat Apr 11 2009 - 19:47:46 CDT)
  • Re: [AMBER] Amber on GPU (Thu Apr 09 2009 - 19:54:29 CDT)
  • Re: [AMBER] Amber on GPU (Tue Apr 07 2009 - 01:11:24 CDT)
  • [AMBER] Amber on GPU (Mon Apr 06 2009 - 19:56:31 CDT)
• Seetin, Matthew
  • RE: [AMBER] Problem with RNA hairpin unwinding in explicit water (Wed Apr 22 2009 - 17:22:29 CDT)
  • RE: [AMBER] Failures of tests (Wed Apr 08 2009 - 10:57:27 CDT)
• Seth Hayik
  • Re: [AMBER] make test.serial.QMMM (Wed Apr 01 2009 - 12:26:21 CDT)
• Siddharth Rastogi
  • [AMBER] number of waters in first and second solvation shell (Thu Apr 02 2009 - 06:40:21 CDT)
• sikander azam
  • [AMBER] Water-molecules (Sun Apr 26 2009 - 08:11:33 CDT)
• Sishi Tang
  • [AMBER] Generate AM1-CM2 charges using antechamber (Fri Apr 03 2009 - 17:36:46 CDT)
• Soni Mufaddal Saifee
  • Re: [AMBER] faulty .rst file with "************" signs for the coordinates of a certain molecule. (Tue Apr 07 2009 - 23:19:25 CDT)
  • [AMBER] faulty .rst file with "************" signs for the coordinates of a certain molecule. (Mon Apr 06 2009 - 04:07:51 CDT)
• steinbrt_at_rci.rutgers.edu
  • Re: [AMBER] Partial interactions (Fri Apr 24 2009 - 12:48:58 CDT)
  • Re: [AMBER] Partial interactions (Fri Apr 24 2009 - 11:20:21 CDT)
  • Re: [AMBER] Partial interactions (Wed Apr 22 2009 - 21:55:52 CDT)
  • Re: [AMBER] Partial interactions (Tue Apr 21 2009 - 10:17:55 CDT)
  • Re: [AMBER] Partial interactions (Mon Apr 20 2009 - 16:47:35 CDT)
  • Re: [AMBER] Thermodynamic Integration and belly (Mon Apr 13 2009 - 11:46:19 CDT)
  • Re: [AMBER] TI production runs stop after a certain Step number (Wed Apr 08 2009 - 09:35:11 CDT)
  • Re: [AMBER] TI production runs stop after a certain Step number (Tue Apr 07 2009 - 09:49:57 CDT)
• Steve Seibold
  • [AMBER] Sander Stalling (Mon Apr 06 2009 - 11:21:51 CDT)
• Sunita Patel
  • [AMBER] Nonterminal, was not found in name map (Tue Apr 28 2009 - 19:50:08 CDT)
• sychen
  • [AMBER] [qm/mm] qmcharge for acidic a.a. in proteins (Tue Apr 14 2009 - 11:33:03 CDT)
• Tamara Rogers
  • [AMBER] per atom energies in sander/pmemd (Tue Apr 21 2009 - 18:41:27 CDT)
• Tatyana Fedotova
  • [AMBER] question (Fri Apr 24 2009 - 14:55:40 CDT)
• taufik.alsarraj_at_utoronto.ca
  • [AMBER] ptraj (vector and corrplane) (Fri Apr 10 2009 - 19:45:46 CDT)
  • Re: [AMBER] ntwr (Wed Apr 08 2009 - 17:35:57 CDT)
  • [AMBER] ntwr (Wed Apr 08 2009 - 16:45:01 CDT)
  • [AMBER] ptraj randomizeions (Tue Apr 07 2009 - 18:32:23 CDT)
  • Re: [AMBER] top2mol2 (Tue Apr 07 2009 - 17:39:34 CDT)
  • [AMBER] prmtop residue format (Tue Apr 07 2009 - 15:04:25 CDT)
  • Re: [AMBER] sequence function (Mon Apr 06 2009 - 12:06:50 CDT)
  • [AMBER] sequence function (Mon Apr 06 2009 - 12:03:20 CDT)
• Therese Malliavin
  • [AMBER] constant-pH: appearance of not titrated residues during the Monte Carlo simulation (Wed Apr 01 2009 - 04:06:19 CDT)
• thirsty
  • Re: [AMBER] Help: An error happened when I calculate mm/pbsa (Fri Apr 03 2009 - 02:11:19 CDT)
  • [AMBER] Help: An error happened when I calculate mm/pbsa (Thu Apr 02 2009 - 03:12:25 CDT)
• Thomas Cheatham
  • Re: [AMBER] Negative "number of measurements" in PTRAJ (Tue Apr 07 2009 - 11:57:28 CDT)
• Thomas Cheatham III
  • RE: [AMBER] Using AMBER force fields in NAMD (Tue Apr 28 2009 - 17:45:15 CDT)
  • Re: [AMBER] Problem with RNA hairpin unwinding in explicit water (Wed Apr 22 2009 - 17:56:25 CDT)
  • Re: [AMBER] ptraj problem (Fri Apr 03 2009 - 15:23:21 CDT)
  • Re: [AMBER] ptraj and namd charmm dcd (Wed Apr 01 2009 - 11:08:51 CDT)
• Thomas Exner
  • [AMBER] Number of LES copies in ptraj (Tue Apr 21 2009 - 10:28:41 CDT)
• Tomasio, Susana
  • RE: [AMBER] test/amoeba: forrtl: error (78): process killed (SIGTERM) (Wed Apr 29 2009 - 15:15:02 CDT)
  • [AMBER] test/amoeba: forrtl: error (78): process killed (SIGTERM) (Wed Apr 29 2009 - 12:45:36 CDT)
  • RE: [AMBER] test/amoeba - forrtl: severe (64): input conversion error (Wed Apr 08 2009 - 11:02:48 CDT)
  • RE: [AMBER] test/amoeba - forrtl: severe (64): input conversion error (Tue Apr 07 2009 - 17:45:57 CDT)
  • RE: [AMBER] test/amoeba - forrtl: severe (64): input conversion error (Tue Apr 07 2009 - 15:12:19 CDT)
  • RE: [AMBER] test/amoeba - forrtl: severe (64): input conversion error (Tue Apr 07 2009 - 14:34:26 CDT)
  • RE: [AMBER] test/amoeba - forrtl: severe (64): input conversion error (Tue Apr 07 2009 - 11:34:57 CDT)
  • [AMBER] test/amoeba - forrtl: severe (64): input conversion error (Tue Apr 07 2009 - 10:16:08 CDT)
  • [AMBER] Problem with CAP residues (Tue Apr 07 2009 - 05:17:27 CDT)
  • RE: [AMBER] Amber with AMOEBA force-field (Mon Apr 06 2009 - 08:40:49 CDT)
  • RE: [AMBER] Amber with AMOEBA force-field (Mon Apr 06 2009 - 08:14:22 CDT)
  • RE: [AMBER] Amber with AMOEBA force-field (Mon Apr 06 2009 - 07:52:01 CDT)
  • RE: [AMBER] Amber with AMOEBA force-field (Mon Apr 06 2009 - 07:49:28 CDT)
  • [AMBER] Amber with AMOEBA force-field (Mon Apr 06 2009 - 07:41:18 CDT)
• Tommaso Cupido
  • [AMBER] Polarizable force field problem: non constant total Energy, EPOLZ is increasing (Mon Apr 27 2009 - 09:10:12 CDT)
• valeria.lapietra_at_unina.it
  • [AMBER] sulfonamide parameters (Thu Apr 16 2009 - 10:16:49 CDT)
• Vijay Manickam Achari
  • [AMBER] ambertools failed - SMP IA64 (Thu Apr 16 2009 - 08:17:34 CDT)
  • [AMBER] pmemd in amber10 - compile failed in HPC (Thu Apr 16 2009 - 05:13:49 CDT)
  • RE: [AMBER] pmemdcompilation/makefailed-mkl_vml_service_threade_z_1i_c_1o (Thu Apr 09 2009 - 04:55:53 CDT)
  • Re: [AMBER] pmemd compilation/makefailed-mkl_vml_service_threader_z_1i_c_1o (Wed Apr 08 2009 - 01:27:46 CDT)
  • Re: [AMBER] pmemd compilation/make failed -mkl_vml_service_threader_z_1i_c_1o (Mon Apr 06 2009 - 23:25:36 CDT)
  • [AMBER] pmemd compilation/make failed - mkl_vml_service_threader_z_1i_c_1o (Mon Apr 06 2009 - 02:27:24 CDT)
• Vikas Sharma
  • Re: [AMBER] amber question (Sun Apr 26 2009 - 04:56:26 CDT)
  • Re: [AMBER] amber question (Sun Apr 26 2009 - 04:51:38 CDT)
  • [AMBER] amber question (Sun Apr 26 2009 - 01:00:06 CDT)
  • Re: [AMBER] error in output file (Thu Apr 23 2009 - 08:55:20 CDT)
  • Re: [AMBER] error in output file (Thu Apr 23 2009 - 08:33:49 CDT)
  • Re: [AMBER] error in output file (Thu Apr 23 2009 - 06:58:24 CDT)
  • [AMBER] error in output file (Thu Apr 23 2009 - 06:39:42 CDT)
  • Re: [AMBER] help regarding step size (Wed Apr 22 2009 - 23:40:33 CDT)
  • Re: [AMBER] help regarding step size (Wed Apr 22 2009 - 05:50:27 CDT)
  • [AMBER] help regarding step size (Wed Apr 22 2009 - 03:57:31 CDT)
  • Re: [AMBER] My step size (Tue Apr 21 2009 - 23:49:47 CDT)
  • Re: [AMBER] atom numbers (Tue Apr 21 2009 - 13:36:35 CDT)
  • Re: [AMBER] atom numbers (Tue Apr 21 2009 - 12:15:07 CDT)
  • Re: [AMBER] atom numbers (Tue Apr 21 2009 - 11:58:41 CDT)
  • Re: [AMBER] atom numbers (Tue Apr 21 2009 - 10:33:12 CDT)
  • Re: [AMBER] My step size (Tue Apr 21 2009 - 10:01:25 CDT)
  • [AMBER] atom numbers (Tue Apr 21 2009 - 06:12:27 CDT)
  • Re: [AMBER] Atom type error (Tue Apr 21 2009 - 01:55:24 CDT)
  • [AMBER] My step size (Tue Apr 21 2009 - 01:50:16 CDT)
  • Re: [AMBER] Atom type error (Mon Apr 20 2009 - 05:46:34 CDT)
  • Re: [AMBER] Atom type error (Sun Apr 19 2009 - 13:33:36 CDT)
  • Re: [AMBER] Atom type error (Sun Apr 19 2009 - 11:50:28 CDT)
  • Re: [AMBER] Atom type error (Sun Apr 19 2009 - 11:49:53 CDT)
  • [AMBER] Atom type error (Sun Apr 19 2009 - 04:48:01 CDT)
  • Re: [AMBER] Right force fields (Fri Apr 17 2009 - 08:14:04 CDT)
  • [AMBER] Right force fields (Fri Apr 17 2009 - 01:22:16 CDT)
  • [AMBER] help regarding force fields (Fri Apr 17 2009 - 01:06:32 CDT)
  • [AMBER] chosing complex in amber (Tue Apr 14 2009 - 00:18:43 CDT)
  • [AMBER] error saving prmtop and inpcrd files of complex in MM-PBSA (Mon Apr 13 2009 - 15:11:07 CDT)
  • [AMBER] MM-PBSA error while running heat.in (Mon Apr 06 2009 - 04:32:55 CDT)
  • [AMBER] error in MM PBSA (Sun Apr 05 2009 - 23:27:21 CDT)
  • [AMBER] error in MM PBSA (Sun Apr 05 2009 - 01:09:35 CDT)
  • [AMBER] error in MM PBSA (Sat Apr 04 2009 - 12:06:57 CDT)
• vivek.viv.sharma_at_gmail.com
  • [AMBER] Energy minimisation and NaN (Mon Apr 13 2009 - 06:55:55 CDT)
• waleed zalloum
  • Re: [AMBER] (no subject) (Wed Apr 29 2009 - 13:06:44 CDT)
  • [AMBER] (no subject) (Wed Apr 29 2009 - 07:15:12 CDT)
  • Re: [AMBER] Simulated annealing (Fri Apr 24 2009 - 10:04:47 CDT)
  • [AMBER] Simulated annealing (Fri Apr 24 2009 - 09:31:36 CDT)
  • [AMBER] RST file (Thu Apr 09 2009 - 09:06:37 CDT)
  • [AMBER] Counter-ions (Thu Apr 02 2009 - 05:15:12 CDT)
• waleed_zalloum_at_yahoo.com
  • [AMBER] Sander (Mon Apr 06 2009 - 08:17:34 CDT)
• Wei Zhang
  • Re: [AMBER] test/amoeba: forrtl: error (78): process killed (SIGTERM) (Wed Apr 29 2009 - 13:00:28 CDT)
  • Re: [AMBER] Disulfide bond (Wed Apr 22 2009 - 10:00:02 CDT)
  • Re: [AMBER] Disulfide bond (Tue Apr 21 2009 - 22:30:36 CDT)
  • Re: [AMBER] Disulfide bond (Tue Apr 21 2009 - 20:46:19 CDT)
  • Re: [AMBER] why amber10/dat/leap/gleap/ and amber10/dat/leap/parm (Sun Apr 12 2009 - 08:24:47 CDT)
  • Re: [AMBER] test/amoeba - forrtl: severe (64): input conversion error (Wed Apr 08 2009 - 10:38:50 CDT)
  • Re: [AMBER] test/amoeba - forrtl: severe (64): input conversion error (Tue Apr 07 2009 - 13:34:11 CDT)
  • Re: [AMBER] Amber with AMOEBA force-field (Mon Apr 06 2009 - 07:57:21 CDT)
  • Re: [AMBER] Amber with AMOEBA force-field (Mon Apr 06 2009 - 07:55:59 CDT)
  • Re: [AMBER] Amber with AMOEBA force-field (Mon Apr 06 2009 - 07:48:28 CDT)
• Yiannis Georgiadis
  • Re: [AMBER] hpux sander.serial failure info (Wed Apr 15 2009 - 16:41:06 CDT)
  • [AMBER] hpux sander.serial failure info (Thu Apr 09 2009 - 17:28:28 CDT)
• zgong.hust
  • [AMBER] about saltcon (Sat Apr 18 2009 - 21:45:53 CDT)
• Zhu, Yong-Liang
  • [AMBER] number_rec_numbers in mm_pbsa (Mon Apr 06 2009 - 18:52:06 CDT)
• ÁÖżº
  • [AMBER] Install (Sun Apr 26 2009 - 08:45:45 CDT)
  • [AMBER] Amber Installation problem (Thu Apr 23 2009 - 20:35:46 CDT)
  • [AMBER] Amber Installation problem (Thu Apr 23 2009 - 08:10:42 CDT)
• å»–é�’å�Ž
  • 回å¤�： [AMBER] number_rec_numbers in mm_pbsa (Mon Apr 06 2009 - 19:18:54 CDT)

Last message date: Mon Nov 23 2009 - 12:37:20 CST
Archived on: Mon Nov 23 2009 - 12:37:23 CST