AMBER Archive (2009) - Jun 2009 By Author

Starting: Mon Jun 01 2009 - 02:35:32 CDT
Ending: Tue Jun 30 2009 - 15:22:14 CDT

• Abhishek Singh
  • [AMBER] RNA and polarizable force field (Wed Jun 10 2009 - 10:30:29 CDT)
• abi ghanem
  • [AMBER] rescaling velocities (Thu Jun 04 2009 - 11:39:02 CDT)
• Adrian Roitberg
  • Re: [AMBER] average torsional energy (Sun Jun 07 2009 - 11:09:14 CDT)
• Ahammadunny Pathiaseril
  • Re: [AMBER] glycopeptide Parametrization (Wed Jun 10 2009 - 15:25:21 CDT)
• ahmed said
  • [AMBER] force field choice (Fri Jun 26 2009 - 03:21:16 CDT)
• Alan
  • [AMBER] a method or program to try to guess the net charge of a small molecule (Fri Jun 26 2009 - 05:00:48 CDT)
  • [AMBER] guessing the charge of a small molecule (Tue Jun 23 2009 - 03:06:51 CDT)
  • Re: [AMBER] max atoms for antechamber (Mon Jun 22 2009 - 08:00:48 CDT)
  • [AMBER] max atoms for antechamber (Mon Jun 22 2009 - 07:37:39 CDT)
  • [AMBER] reclaiming space from amber10 installation (Sun Jun 21 2009 - 17:04:53 CDT)
  • Re: [AMBER] compiling amber10 with mac intel, ifort/icc and mpi (Sat Jun 13 2009 - 13:37:54 CDT)
  • Re: [AMBER] compiling amber10 with mac intel, ifort/icc and mpi (Thu Jun 11 2009 - 06:14:42 CDT)
  • Re: [AMBER] compiling amber10 with mac intel, ifort/icc and mpi (Wed Jun 10 2009 - 11:26:13 CDT)
  • [AMBER] compiling amber10 with mac intel, ifort/icc and mpi (Wed Jun 10 2009 - 09:47:00 CDT)
  • [AMBER] Completed installation of AmberTools, version 1.1 (Wed Jun 10 2009 - 08:13:37 CDT)
  • Re: [AMBER] Warning: No sp2 improper torsion term for (Mon Jun 08 2009 - 09:54:50 CDT)
  • [AMBER] Warning: No sp2 improper torsion term for (Fri Jun 05 2009 - 07:26:55 CDT)
  • Re: [AMBER] ligand QM/semi-empirical coords optmisation (Thu Jun 04 2009 - 13:05:27 CDT)
  • Re: [AMBER] ligand QM/semi-empirical coords optmisation (Thu Jun 04 2009 - 09:19:28 CDT)
  • Re: [AMBER] spc.itp for the Amber force field (Wed Jun 03 2009 - 10:38:56 CDT)
• alegil_at_fq.uh.cu
  • [AMBER] PARMSCAN (Tue Jun 02 2009 - 17:41:54 CDT)
  • [AMBER] PARMSCAN (Tue Jun 02 2009 - 17:26:42 CDT)
• Alessandro Nascimento
  • [AMBER] Fe and Mn simulations (Tue Jun 30 2009 - 15:22:14 CDT)
  • Re: [AMBER] Analysis of the solt-bridge (Mon Jun 29 2009 - 07:58:49 CDT)
• Andreas Svrcek-Seiler
  • Re: [AMBER] Problems using nmode in NAB (Thu Jun 25 2009 - 08:03:15 CDT)
  • Re: [AMBER] Problems using nmode in NAB (Wed Jun 24 2009 - 03:52:30 CDT)
• Andrew Voronkov
  • Re: [AMBER] use of random seed in multiple runs (Wed Jun 03 2009 - 14:26:48 CDT)
  • Re: [AMBER] use of random seed in multiple runs (Wed Jun 03 2009 - 12:00:32 CDT)
  • Re: [AMBER] only ff94 and ff99 for GBSA? (Wed Jun 03 2009 - 06:52:13 CDT)
  • [AMBER] only ff94 and ff99 for GBSA? (Wed Jun 03 2009 - 05:28:15 CDT)
  • [AMBER] use of random seed in multiple runs (Wed Jun 03 2009 - 04:28:52 CDT)
• aneesh cna
  • [AMBER] Problem with radial distribution function (Fri Jun 26 2009 - 03:56:09 CDT)
  • Re: [AMBER] converting vibrational frequency (Mon Jun 01 2009 - 11:53:22 CDT)
  • [AMBER] converting vibrational frequency (Mon Jun 01 2009 - 06:22:01 CDT)
• Antonija Tomić
  • Re: [AMBER] problems with ptraj option IMAGE (Mon Jun 29 2009 - 10:27:54 CDT)
  • [AMBER] problems with ptraj option IMAGE (Mon Jun 29 2009 - 09:48:54 CDT)
• Aurum Bai
  • [AMBER] About the "FATAL: Atom err"! (Mon Jun 22 2009 - 05:14:20 CDT)
  • [AMBER] About the "FATAL: Atom err!" (Mon Jun 22 2009 - 05:12:23 CDT)
  • [AMBER] About the Amber tutorial (Mon Jun 22 2009 - 05:03:49 CDT)
• Aust, Susanne
  • AW: [AMBER] atomtypes in gaff (Thu Jun 25 2009 - 07:05:10 CDT)
  • AW: AW: AW: [AMBER] atomtypes in gaff (Thu Jun 25 2009 - 06:44:58 CDT)
  • AW: AW: [AMBER] atomtypes in gaff (Thu Jun 25 2009 - 06:27:19 CDT)
  • AW: [AMBER] atomtypes in gaff (Thu Jun 25 2009 - 04:24:07 CDT)
  • [AMBER] atomtypes in gaff (Thu Jun 25 2009 - 01:49:48 CDT)
  • AW: [AMBER] 2 restraints with different force constants (Fri Jun 19 2009 - 07:39:34 CDT)
  • AW: [AMBER] 2 restraints with different force constants (Fri Jun 19 2009 - 06:51:21 CDT)
  • [AMBER] 2 restraints with different force constants (Fri Jun 19 2009 - 02:14:50 CDT)
  • AW: [AMBER] zinc coordination of benzimidazole (Fri Jun 12 2009 - 01:13:19 CDT)
  • [AMBER] zinc coordination of benzimidazole (Thu Jun 11 2009 - 02:09:59 CDT)
• backy
  • Re: [AMBER] to unsubscribe email (Wed Jun 17 2009 - 03:22:19 CDT)
  • [AMBER] to unsubscribe email (Wed Jun 17 2009 - 02:13:02 CDT)
• Bala subramanian
  • Re: [AMBER] making leap to recognize 5' phosphate (Tue Jun 23 2009 - 03:49:05 CDT)
  • [AMBER] making leap to recognize 5' phosphate (Mon Jun 22 2009 - 08:45:43 CDT)
• balaji nagarajan
  • [AMBER] to check basepair in ptraj (Mon Jun 15 2009 - 09:23:28 CDT)
  • [AMBER] ptraj_hbond_problem (Thu Jun 04 2009 - 17:08:24 CDT)
  • [AMBER] mol2 file to amber pdb file format (Thu Jun 04 2009 - 11:32:06 CDT)
  • [AMBER] hbond_DNAtraj (Mon Jun 01 2009 - 12:08:15 CDT)
• Beale, John
  • [AMBER] NOE (Thu Jun 11 2009 - 07:30:36 CDT)
  • [AMBER] sander error (Mon Jun 08 2009 - 09:43:24 CDT)
• Ben Roberts
  • Re: [AMBER] Specifying improper dihedrals (Wed Jun 17 2009 - 14:18:41 CDT)
  • Re: [AMBER] Specifying improper dihedrals (Wed Jun 17 2009 - 14:17:12 CDT)
  • [AMBER] Specifying improper dihedrals (Wed Jun 17 2009 - 10:24:14 CDT)
  • Re: [AMBER] Improper dihedrals between residues? (Tue Jun 09 2009 - 14:12:07 CDT)
  • [AMBER] Improper dihedrals between residues? (Tue Jun 09 2009 - 11:11:15 CDT)
• bharat lakhani
  • [AMBER] calculating the hydrogen bonding energy between the two molecule (Wed Jun 24 2009 - 04:19:01 CDT)
  • [AMBER] how to add ions (Tue Jun 02 2009 - 02:25:46 CDT)
• Bill Ross
  • Re: AW: [AMBER] atomtypes in gaff (Thu Jun 25 2009 - 11:42:01 CDT)
  • Re: [AMBER] NAB memory increase (Thu Jun 25 2009 - 11:34:58 CDT)
  • Re: [AMBER] SANDER BOMB in subroutine nonbond_list (Tue Jun 23 2009 - 11:54:30 CDT)
  • Re: [Barracuda SPAM] Re: [AMBER] Atom Type List (Mon Jun 22 2009 - 11:43:39 CDT)
  • Re: [AMBER] Residues (Thu Jun 18 2009 - 16:13:53 CDT)
  • Re: [AMBER] Specifying improper dihedrals (Wed Jun 17 2009 - 14:25:55 CDT)
  • Re: [AMBER] Specifying improper dihedrals (Wed Jun 17 2009 - 12:56:26 CDT)
  • Re: [AMBER] GLYCAM: warnings by writing topology (Wed Jun 17 2009 - 12:32:43 CDT)
  • Re: [AMBER] GLYCAM: warnings by writing topology (Wed Jun 17 2009 - 03:01:28 CDT)
  • Re: [AMBER] Seg-fault when creating residue (Wed Jun 17 2009 - 02:51:02 CDT)
  • Re: [AMBER] improper torsion problem (Wed Jun 17 2009 - 02:47:12 CDT)
  • Re: [AMBER] connecting residues (Tue Jun 16 2009 - 11:39:02 CDT)
  • Re: [AMBER] connecting residues (Tue Jun 16 2009 - 11:37:33 CDT)
  • Re: [AMBER] Distance-covariance and PCA questions... (Tue Jun 16 2009 - 11:18:40 CDT)
  • Re: [AMBER] Re: connect (Mon Jun 15 2009 - 15:39:32 CDT)
  • Re: [AMBER] Residues (Fri Jun 12 2009 - 14:49:09 CDT)
  • Re: [AMBER] entangle-less building (Wed Jun 10 2009 - 17:38:31 CDT)
  • Re: [AMBER] Improper dihedrals between residues? (Tue Jun 09 2009 - 16:17:03 CDT)
  • Re: [AMBER] Improper dihedrals between residues? (Tue Jun 09 2009 - 14:04:02 CDT)
  • Re: [AMBER] creating bond (Wed Jun 03 2009 - 16:40:09 CDT)
  • Re: [AMBER] creating bond (Wed Jun 03 2009 - 13:40:52 CDT)
• Brad Dickson
  • [AMBER] Re: force units (Fri Jun 19 2009 - 08:22:40 CDT)
  • [AMBER] Re: force units (Thu Jun 18 2009 - 04:31:16 CDT)
  • [AMBER] force units (Thu Jun 18 2009 - 02:14:31 CDT)
  • [AMBER] force.f routine (Wed Jun 10 2009 - 07:56:39 CDT)
• Brothers, Michael Charles
  • RE: [AMBER] problem with parametrization (Wed Jun 24 2009 - 13:34:16 CDT)
  • RE: [AMBER] RED Geometry Calculation Error (Fri Jun 19 2009 - 16:10:12 CDT)
  • [AMBER] RED Geometry Calculation Error (Fri Jun 19 2009 - 13:52:37 CDT)
  • RE: [AMBER] Generating LeAP file for helix containing non-standard amino acid (Fri Jun 19 2009 - 12:46:25 CDT)
  • RE: [AMBER] Generating LeAP file for helix containing non-standard amino acid (Thu Jun 18 2009 - 16:01:52 CDT)
  • RE: [AMBER] Generating LeAP file for helix containing non-standard amino acid (Thu Jun 18 2009 - 12:38:53 CDT)
  • RE: [AMBER] Generating LeAP file for helix containing non-standard amino acid (Wed Jun 10 2009 - 14:40:21 CDT)
  • [AMBER] Generating LeAP file for helix containing non-standard amino acid (Wed Jun 10 2009 - 13:26:32 CDT)
• Carlos Simmerling
  • Re: [AMBER] problems with ptraj option IMAGE (Mon Jun 29 2009 - 10:00:59 CDT)
  • Re: [AMBER] Velocity rescaling and ig... (Sun Jun 28 2009 - 10:35:37 CDT)
  • Re: [AMBER] explicit solvent NMR refinement (Sun Jun 28 2009 - 07:36:42 CDT)
  • Re: [AMBER] REMD (Tue Jun 23 2009 - 05:07:39 CDT)
  • Re: [AMBER] Fix Residue continued... (Thu Jun 18 2009 - 13:56:54 CDT)
  • Re: [AMBER] Sander imin=5 option (Tue Jun 16 2009 - 09:50:43 CDT)
  • Re: [AMBER] Fix the local structure as a rigid body (Tue Jun 16 2009 - 09:13:45 CDT)
  • Re: [AMBER] Fix the local structure as a rigid body (Tue Jun 16 2009 - 08:15:12 CDT)
  • Re: [AMBER] Histidine, which form? (Mon Jun 15 2009 - 09:57:40 CDT)
  • Re: [AMBER] Improper dihedrals between residues? (Tue Jun 09 2009 - 12:51:40 CDT)
  • Re: [AMBER] Improper dihedrals between residues? (Tue Jun 09 2009 - 11:28:04 CDT)
  • Re: [AMBER] DNA as well as protein distorted during MD run in sander (Tue Jun 09 2009 - 10:48:30 CDT)
  • Re: [AMBER] DNA as well as protein distorted during MD run in sander (Tue Jun 09 2009 - 10:36:50 CDT)
  • Re: [AMBER] DNA as well as protein distorted during MD run in sander (Tue Jun 09 2009 - 09:38:14 CDT)
  • Re: [AMBER] average torsional energy (Sun Jun 07 2009 - 11:14:17 CDT)
  • Re: [AMBER] use of random seed in multiple runs (Thu Jun 04 2009 - 14:20:59 CDT)
  • Re: [AMBER] rescaling velocities (Thu Jun 04 2009 - 11:43:20 CDT)
  • Re: [AMBER] only ff94 and ff99 for GBSA? (Wed Jun 03 2009 - 05:51:09 CDT)
  • Re: [AMBER] use of random seed in multiple runs (Wed Jun 03 2009 - 05:13:23 CDT)
  • Re: [AMBER] Atom names (Tue Jun 02 2009 - 06:39:25 CDT)
  • Re: [AMBER] ask for parm99MOD (Mon Jun 01 2009 - 15:12:47 CDT)
  • Re: [AMBER] Choice of force field (Mon Jun 01 2009 - 06:14:09 CDT)
• case
  • Re: [AMBER] Fe-S topology (Tue Jun 30 2009 - 12:45:27 CDT)
  • Re: [AMBER] Nonstandard molecules simulated with parm99EP ? (Tue Jun 30 2009 - 11:19:00 CDT)
  • Re: [AMBER] Compiling and running NAB programs in parallel using MPI (Tue Jun 30 2009 - 11:02:57 CDT)
  • Re: [AMBER] Compiling and running NAB programs in parallel using MPI (Mon Jun 29 2009 - 07:19:10 CDT)
  • Re: [AMBER] RESP (Mon Jun 29 2009 - 06:52:19 CDT)
  • Re: [AMBER] explicit solvent NMR refinement (Sun Jun 28 2009 - 08:19:11 CDT)
  • Re: [AMBER] NAB memory (Fri Jun 26 2009 - 13:42:03 CDT)
  • Re: [AMBER] Compiling and running NAB programs in parallel using MPI (Fri Jun 26 2009 - 08:19:04 CDT)
  • Re: [AMBER] Re: Error on equilibriation of Amber10 (Fri Jun 26 2009 - 07:17:42 CDT)
  • Re: [AMBER] error in tleap of AMBER 10 (Fri Jun 26 2009 - 07:09:58 CDT)
  • Re: [AMBER] PCA for CA of specific resiudes (Thu Jun 25 2009 - 07:27:01 CDT)
  • Re: [AMBER] setting atomic radii for GB version 7 (Thu Jun 25 2009 - 07:20:36 CDT)
  • Re: [AMBER] Re: Error on equilibriation of Amber10 (Thu Jun 25 2009 - 07:07:20 CDT)
  • Re: [AMBER] error in tleap of AMBER 10 (Thu Jun 25 2009 - 06:54:47 CDT)
  • Re: [AMBER] NAB memory increase (Thu Jun 25 2009 - 06:33:03 CDT)
  • Re: [AMBER] Half charge reported during NN ? (Wed Jun 24 2009 - 12:31:45 CDT)
  • Re: [AMBER] Trying to patch amber 9 (Wed Jun 24 2009 - 09:58:48 CDT)
  • Re: [AMBER] re: net charge (Tue Jun 23 2009 - 14:22:28 CDT)
  • Re: [AMBER] net charge (Tue Jun 23 2009 - 09:34:07 CDT)
  • Re: [AMBER] Compiling amber 9 with openMPI (Tue Jun 23 2009 - 09:13:18 CDT)
  • [AMBER] Re: Regd: Fe4S4 (Mon Jun 22 2009 - 13:39:57 CDT)
  • Re: [AMBER] max atoms for antechamber (Mon Jun 22 2009 - 07:48:43 CDT)
  • Re: [AMBER] About the "FATAL: Atom err"! (Mon Jun 22 2009 - 06:47:59 CDT)
  • Re: [AMBER] Atom Type List (Mon Jun 22 2009 - 06:38:24 CDT)
  • Re: [AMBER] Amber10 Parallel Installation (Sat Jun 20 2009 - 17:04:14 CDT)
  • Re: [AMBER] atom type no recognize - xleap version 10 but fine in v 9 (Sat Jun 20 2009 - 13:31:40 CDT)
• Catein Catherine
  • [AMBER] correlation motion at production simulation period still changing. Is it normal? (Mon Jun 22 2009 - 04:26:40 CDT)
  • [AMBER] PTRAJ, rms for separated residues. (Mon Jun 22 2009 - 04:20:36 CDT)
  • RE: [AMBER] Re: force units (Thu Jun 18 2009 - 09:01:40 CDT)
  • [AMBER] ptraj correlation (Thu Jun 18 2009 - 08:47:01 CDT)
  • [AMBER] Are ntrp=1000, ntwx=1000, ntwr=500 reasonable for long MD simulations? (Mon Jun 15 2009 - 05:04:53 CDT)
  • RE: [AMBER] Is the result of sander same as that of pmemd? (Fri Jun 12 2009 - 21:55:10 CDT)
  • [AMBER] Is the result of sander same as that of pmemd? (Fri Jun 12 2009 - 09:04:38 CDT)
  • [AMBER] ptraj "image" "center" commands (Thu Jun 11 2009 - 04:13:38 CDT)
  • [AMBER] ptraj amber 10 file. (Wed Jun 10 2009 - 11:02:32 CDT)
  • RE: [AMBER] PDMED (Tue Jun 09 2009 - 01:18:59 CDT)
  • [AMBER] PDMED (Mon Jun 08 2009 - 23:28:58 CDT)
  • [AMBER] Can we define +1 or -1 charge for an organic drug using GAFF? (Mon Jun 08 2009 - 10:16:23 CDT)
  • RE: [AMBER] Error message? INFO: Old style inpcrd file read (Sun Jun 07 2009 - 22:55:28 CDT)
  • [AMBER] What is the parallel efficiency of amber10 (Sun Jun 07 2009 - 22:19:37 CDT)
  • [AMBER] Error message? INFO: Old style inpcrd file read (Sun Jun 07 2009 - 22:11:27 CDT)
  • RE: [AMBER] parameter for dihedral angle (Sun Jun 07 2009 - 22:08:17 CDT)
  • [AMBER] AMBER 10: sleap diff errors? (Thu Jun 04 2009 - 00:37:35 CDT)
  • [AMBER] AMBER10: error message mdfil flag..... (Wed Jun 03 2009 - 09:14:50 CDT)
• Cen Gao
  • Re: [AMBER] GAFF atom type question (Sun Jun 14 2009 - 23:12:19 CDT)
  • Re: [AMBER] GAFF atom type question (Thu Jun 11 2009 - 19:31:25 CDT)
  • [AMBER] GAFF atom type question (Thu Jun 11 2009 - 08:36:52 CDT)
  • [AMBER] GAFF atom type question (Wed Jun 10 2009 - 10:49:00 CDT)
• cgji
  • Re: [AMBER] how to choose different comformations for RESP (Tue Jun 02 2009 - 00:14:02 CDT)
• CHAMI F.
  • [AMBER] radial distribution without normalization (Wed Jun 10 2009 - 10:48:12 CDT)
• Chunliyan
  • [AMBER] Dyndom (Thu Jun 18 2009 - 10:12:44 CDT)
• Cihan Aydin
  • [AMBER] Simulations including RNA-protein complexes... (Sun Jun 28 2009 - 17:29:10 CDT)
  • RE: [AMBER] Velocity rescaling and ig... (Sun Jun 28 2009 - 11:22:29 CDT)
  • Re: [AMBER] how to know that adequate equilibration from rmsd curve of equilibration (Sun Jun 28 2009 - 11:19:07 CDT)
  • Re: [AMBER] Velocity rescaling and ig... (Sun Jun 28 2009 - 11:08:32 CDT)
  • [AMBER] Velocity rescaling and ig... (Sun Jun 28 2009 - 09:52:30 CDT)
  • Re: [AMBER] how to know that adequate equilibration from rmsd curve of equilibration (Sat Jun 27 2009 - 09:29:21 CDT)
  • [AMBER] Distance-covariance and PCA questions... (Mon Jun 15 2009 - 23:18:58 CDT)
• David A. Case
  • Re: [AMBER] 2 restraints with different force constants (Fri Jun 19 2009 - 07:06:18 CDT)
  • Re: [AMBER] 2 restraints with different force constants (Fri Jun 19 2009 - 06:41:01 CDT)
  • Re: [AMBER] Re: force units (Thu Jun 18 2009 - 06:32:18 CDT)
  • Re: [AMBER] Improper dihedrals from .off and .lib files (Thu Jun 18 2009 - 06:28:40 CDT)
  • Re: [AMBER] Specifying improper dihedrals (Wed Jun 17 2009 - 12:56:20 CDT)
  • Re: [AMBER] Antechamber: stuck at bondtype (Wed Jun 17 2009 - 08:28:15 CDT)
  • Re: [AMBER] Fix the local structure as a rigid body (Tue Jun 16 2009 - 10:41:04 CDT)
  • Re: [AMBER] problem in pressure equillibration (Tue Jun 16 2009 - 06:56:34 CDT)
  • Re: [AMBER] QQD psuedoatom restraints (Mon Jun 15 2009 - 07:00:23 CDT)
  • Re: [AMBER] NOE (Thu Jun 11 2009 - 12:29:06 CDT)
  • Re: [AMBER] (no subject) (Thu Jun 11 2009 - 06:54:38 CDT)
  • Re: [AMBER] Generating LeAP file for helix containing non-standard amino acid (Wed Jun 10 2009 - 14:23:36 CDT)
  • Re: [AMBER] Generating LeAP file for helix containing non-standard amino acid (Wed Jun 10 2009 - 14:14:49 CDT)
  • Re: [AMBER] POL3 & SHAKE (Wed Jun 10 2009 - 14:11:40 CDT)
  • Re: [AMBER] compiling amber10 with mac intel, ifort/icc and mpi (Wed Jun 10 2009 - 11:54:38 CDT)
  • Re: [AMBER] Thermodynamic parameters in mm_PBSA - NAB ? (Wed Jun 10 2009 - 11:01:26 CDT)
  • Re: [AMBER] GAFF and solvents.lib error (Wed Jun 10 2009 - 10:54:05 CDT)
  • Re: [AMBER] compiling amber10 with mac intel, ifort/icc and mpi (Wed Jun 10 2009 - 10:34:59 CDT)
  • Re: [AMBER] Completed installation of AmberTools, version 1.1 (Wed Jun 10 2009 - 09:10:22 CDT)
  • Re: [AMBER] force.f routine (Wed Jun 10 2009 - 09:09:47 CDT)
  • Re: [AMBER] Improper dihedrals between residues? (Tue Jun 09 2009 - 12:14:57 CDT)
  • Re: [AMBER] Question of about MM-PBSA and mm_pbsa_createinput.pm script (Tue Jun 09 2009 - 08:20:22 CDT)
  • Re: [AMBER] unit of charge in prep files (Tue Jun 09 2009 - 08:07:08 CDT)
  • Re: [AMBER] Unknown residue: MOL number: 30 type: Terminal/last (Tue Jun 09 2009 - 06:51:42 CDT)
  • Re: [AMBER] (no subject) (Tue Jun 09 2009 - 06:47:59 CDT)
  • Re: [AMBER] Distance restraints between groups of atoms (Tue Jun 09 2009 - 06:45:14 CDT)
  • Re: [AMBER] Can we define +1 or -1 charge for an organic drug using GAFF? (Mon Jun 08 2009 - 11:47:54 CDT)
  • Re: [AMBER] Max filename length in Sander? (Mon Jun 08 2009 - 07:36:32 CDT)
  • Re: [AMBER] Max filename length in Sander? (Mon Jun 08 2009 - 07:28:41 CDT)
  • Re: [AMBER] What is the parallel efficiency of amber10 (Mon Jun 08 2009 - 07:23:11 CDT)
  • Re: [AMBER] parameter for dihedral angle (Sat Jun 06 2009 - 07:47:35 CDT)
  • Re: [AMBER] parameter for dihedral angle (Fri Jun 05 2009 - 14:50:03 CDT)
  • Re: [AMBER] atom type (Fri Jun 05 2009 - 07:32:45 CDT)
  • Re: [AMBER] AMBER 10: sleap diff errors? (Thu Jun 04 2009 - 14:19:44 CDT)
  • Re: [AMBER] mol2 file to amber pdb file format (Thu Jun 04 2009 - 11:55:39 CDT)
  • Re: [AMBER] ligand QM/semi-empirical coords optmisation (Thu Jun 04 2009 - 10:06:28 CDT)
  • Re: [AMBER] creating bond (Wed Jun 03 2009 - 13:32:57 CDT)
  • Re: [AMBER] Pentavalent Phosphorous and Antechamber (Wed Jun 03 2009 - 11:35:26 CDT)
  • Re: [AMBER] Distance restraints between groups of atoms (Wed Jun 03 2009 - 11:32:33 CDT)
  • Re: [AMBER] problems with EP of TIP4PEW (Wed Jun 03 2009 - 11:29:43 CDT)
  • Re: [AMBER] Atom names (Wed Jun 03 2009 - 11:00:15 CDT)
  • Re: [AMBER] AMBER10: error message mdfil flag..... (Wed Jun 03 2009 - 09:30:08 CDT)
  • Re: [AMBER] Distance restraints between groups of atoms (Wed Jun 03 2009 - 07:27:04 CDT)
  • Re: [AMBER] only ff94 and ff99 for GBSA? (Wed Jun 03 2009 - 07:24:56 CDT)
  • Re: [AMBER] Error in MM PBSA (Wed Jun 03 2009 - 06:43:54 CDT)
  • Re: 回å¤�： [AMBER] Error in MM PBSA (Tue Jun 02 2009 - 09:36:39 CDT)
  • Re: [AMBER] Error in MM PBSA (Tue Jun 02 2009 - 09:05:09 CDT)
  • Re: [AMBER] help with parameters for ions (Tue Jun 02 2009 - 08:46:40 CDT)
  • Re: [AMBER] minimization to reduce covalent deviation (Tue Jun 02 2009 - 08:38:58 CDT)
  • Re: [AMBER] Atom names (Tue Jun 02 2009 - 06:44:39 CDT)
  • Re: [AMBER] converting vibrational frequency (Mon Jun 01 2009 - 06:39:32 CDT)
• David Watson
  • Re: [AMBER] ptraj clustering with sieve- unexpected Bus Error (Fri Jun 26 2009 - 06:31:26 CDT)
  • Re: [AMBER] ptraj clustering with sieve- unexpected Bus Error (Thu Jun 25 2009 - 21:51:11 CDT)
  • Re: [AMBER] ptraj clustering with sieve- unexpected Bus Error (Thu Jun 25 2009 - 21:28:22 CDT)
  • Re: [AMBER] ptraj clustering with sieve- unexpected Bus Error (Thu Jun 25 2009 - 13:53:16 CDT)
  • Re: [AMBER] compiling amber10 with mac intel, ifort/icc and mpi (Thu Jun 11 2009 - 07:43:28 CDT)
• david.lisgarten_at_canterbury.ac.uk
  • RE: [AMBER] (no subject) (Thu Jun 11 2009 - 03:28:56 CDT)
  • RE: [AMBER] (no subject) (Tue Jun 09 2009 - 08:56:32 CDT)
  • [AMBER] (no subject) (Tue Jun 09 2009 - 05:23:57 CDT)
• Dmitry Osolodkin
  • Re: [AMBER] MM-PBSA nmode statistics (Mon Jun 01 2009 - 08:12:15 CDT)
• E.M.
  • [AMBER] NAB memory (Fri Jun 26 2009 - 13:06:41 CDT)
  • Re: [AMBER] Problems using nmode in NAB (Wed Jun 24 2009 - 23:15:38 CDT)
  • [AMBER] NAB memory increase (Wed Jun 24 2009 - 15:12:09 CDT)
  • Re: [AMBER] Problems using nmode in NAB (Wed Jun 24 2009 - 04:09:44 CDT)
  • [AMBER] Problems using nmode in NAB (Wed Jun 24 2009 - 01:05:50 CDT)
• Edward M
  • [AMBER] AMBER question: bad atom type: MN (Mon Jun 22 2009 - 22:05:51 CDT)
  • [AMBER] bad atom type: MN (Mon Jun 22 2009 - 18:12:09 CDT)
  • [AMBER] bad atom type: MN (Mon Jun 22 2009 - 18:12:09 CDT)
  • [AMBER] bad atom type: MN (Mon Jun 22 2009 - 18:10:54 CDT)
• Edyta Malolepsza
  • Re: [AMBER] total charge for NPRO in ff03ua (Tue Jun 16 2009 - 04:42:55 CDT)
  • [AMBER] total charge for NPRO in ff03ua (Mon Jun 15 2009 - 05:09:35 CDT)
• Francesca Poletti
  • [AMBER] methyl group at the N-terminal (Fri Jun 19 2009 - 07:03:56 CDT)
• Francesco Pietra
  • Re: [AMBER] average torsional energy (Mon Jun 08 2009 - 04:11:52 CDT)
  • [AMBER] Fwd: average torsional energy (Sun Jun 07 2009 - 11:09:37 CDT)
  • [AMBER] average torsional energy (Sat Jun 06 2009 - 11:57:49 CDT)
  • Re: [AMBER] ligand QM/semi-empirical coords optmisation (Fri Jun 05 2009 - 13:17:45 CDT)
• FyD
  • Re: [AMBER] Saccharides chains termini (Tue Jun 30 2009 - 10:47:04 CDT)
  • Re: [AMBER] Nonstandard molecules simulated with parm99EP ? (Tue Jun 30 2009 - 02:31:53 CDT)
  • Re: [AMBER] Regd: parameter Fe4S4 (Mon Jun 29 2009 - 14:03:22 CDT)
  • Re: [AMBER] Nonstandard molecules simulated with parm99EP ? (Mon Jun 29 2009 - 13:28:19 CDT)
  • Re: [AMBER] query about the charge fitting procedure about C- and N-terminal residues (Fri Jun 26 2009 - 04:41:52 CDT)
  • Re: [AMBER] installation of RESP programm (Fri Jun 26 2009 - 04:15:39 CDT)
  • Re: AW: [AMBER] atomtypes in gaff (Fri Jun 26 2009 - 01:56:35 CDT)
  • Re: [AMBER] problem with parametrization (Thu Jun 25 2009 - 08:47:31 CDT)
  • Re: [AMBER] problem with parametrization (Thu Jun 25 2009 - 06:52:45 CDT)
  • Re: [AMBER] atomtypes in gaff (Thu Jun 25 2009 - 06:45:16 CDT)
  • Re: AW: AW: [AMBER] atomtypes in gaff (Thu Jun 25 2009 - 06:36:20 CDT)
  • Re: AW: [AMBER] atomtypes in gaff (Thu Jun 25 2009 - 05:32:33 CDT)
  • Re: [AMBER] problem with parametrization (Thu Jun 25 2009 - 05:04:27 CDT)
  • [AMBER] Re: question about ff (Thu Jun 25 2009 - 04:12:40 CDT)
  • Re: [AMBER] atomtypes in gaff (Thu Jun 25 2009 - 03:55:03 CDT)
  • Re: [AMBER] problem with parametrization (Thu Jun 25 2009 - 00:15:23 CDT)
  • Re: [AMBER] How to build amide bond etween two protein chains (Wed Jun 24 2009 - 01:18:25 CDT)
  • Re: [AMBER] making leap to recognize 5' phosphate (Wed Jun 24 2009 - 01:02:42 CDT)
  • Re: [AMBER] making leap to recognize 5' phosphate (Tue Jun 23 2009 - 04:48:34 CDT)
  • Re: [AMBER] making leap to recognize 5' phosphate (Tue Jun 23 2009 - 02:45:31 CDT)
  • RE: [AMBER] RED Geometry Calculation Error (Sat Jun 20 2009 - 01:41:46 CDT)
  • Re: [AMBER] RED Geometry Calculation Error (Fri Jun 19 2009 - 14:19:00 CDT)
  • Re: [AMBER] From DLG to Antechamber (Fri Jun 19 2009 - 10:54:05 CDT)
  • Re: [AMBER] methyl group at the N-terminal (Fri Jun 19 2009 - 07:12:36 CDT)
  • Re: [AMBER] From DLG to Antechamber (Fri Jun 19 2009 - 04:26:46 CDT)
  • Re: [AMBER] Force field parameter for Unionized Phenylalanine HOOC-CH(NH2)-CH2-C6H5 (Fri Jun 19 2009 - 03:47:39 CDT)
  • RE: [AMBER] Generating LeAP file for helix containing non-standard amino acid (Fri Jun 19 2009 - 00:41:54 CDT)
  • Re: [AMBER] Residues (Thu Jun 18 2009 - 15:24:16 CDT)
  • [AMBER] Re: R.E.D. error message (Thu Jun 18 2009 - 15:13:41 CDT)
  • RE: [AMBER] Generating LeAP file for helix containing non-standard amino acid (Thu Jun 18 2009 - 14:55:34 CDT)
  • Re: [AMBER] GLYCAM: warnings by writing topology (Wed Jun 17 2009 - 10:40:06 CDT)
  • Re: [AMBER] GLYCAM: warnings by writing topology (Wed Jun 17 2009 - 02:30:26 CDT)
  • RE:Re: [AMBER] partial charges from AM1-BCC and RESP differ a lot (Wed Jun 17 2009 - 01:32:11 CDT)
  • Re: [AMBER] Residues (Mon Jun 15 2009 - 01:51:56 CDT)
  • [AMBER] Re: [Contact q4md] qurey reagarding RED Server (Sat Jun 13 2009 - 03:08:26 CDT)
  • RE: [AMBER] glycopeptide Parametrization (Sat Jun 13 2009 - 02:40:00 CDT)
  • Re: [AMBER] Residues (Fri Jun 12 2009 - 10:36:10 CDT)
  • Re: [AMBER] Residues (Fri Jun 12 2009 - 09:24:35 CDT)
  • Re: [AMBER] glycopeptide Parametrization (Fri Jun 12 2009 - 02:05:51 CDT)
  • Re: [AMBER] partial charges from AM1-BCC and RESP differ a lot (Thu Jun 11 2009 - 13:59:27 CDT)
  • Re: [AMBER] Generating LeAP file for helix containing non-standard amino acid (Thu Jun 11 2009 - 01:48:27 CDT)
  • Re: [AMBER] (no subject) (Mon Jun 08 2009 - 12:14:05 CDT)
  • Re: [AMBER] Pentavalent Phosphorous and Antechamber (Thu Jun 04 2009 - 01:29:59 CDT)
  • Re: [AMBER] different comformations to choose for RESP (Mon Jun 01 2009 - 09:32:21 CDT)
  • [AMBER] sleap and delete (Mon Jun 01 2009 - 02:35:32 CDT)
• Gabriel Urquiza
  • Re: [AMBER] Targeted MD and QM/MM (Tue Jun 02 2009 - 17:08:11 CDT)
• Germain Vallverdu
  • Re: [AMBER] PTRAJ, rms for separated residues. (Mon Jun 22 2009 - 04:27:43 CDT)
  • Re: [AMBER] Distance restraints between groups of atoms (Tue Jun 09 2009 - 03:39:45 CDT)
  • Re: [AMBER] Distance restraints between groups of atoms (Wed Jun 03 2009 - 09:43:37 CDT)
  • [AMBER] Distance restraints between groups of atoms (Wed Jun 03 2009 - 01:58:57 CDT)
• gilbert_at_bluemarble.net
  • Re: [AMBER] From DLG to Antechamber (Fri Jun 19 2009 - 09:17:09 CDT)
  • Re: [AMBER] From DLG to Antechamber (Fri Jun 19 2009 - 07:57:04 CDT)
  • [AMBER] Antechamber am1bcc questions (Mon Jun 15 2009 - 08:04:19 CDT)
• guardiani_at_fi.infn.it
  • [AMBER] IGB=7 vs IGB=5 (Thu Jun 25 2009 - 06:20:15 CDT)
  • Re: [AMBER] glycopeptide Parametrization (Fri Jun 12 2009 - 09:06:24 CDT)
  • [AMBER] glycopeptide Parametrization (Wed Jun 10 2009 - 10:41:14 CDT)
• guntheyp_at_aston.ac.uk
  • [AMBER] (Thu Jun 18 2009 - 06:48:21 CDT)
• Gustavo Seabra
  • Re: [AMBER] What is the parallel efficiency of amber10 (Mon Jun 08 2009 - 08:44:26 CDT)
  • Re: [AMBER] use of random seed in multiple runs (Fri Jun 05 2009 - 14:18:35 CDT)
  • Re: [AMBER] use of random seed in multiple runs (Fri Jun 05 2009 - 10:16:00 CDT)
  • Re: [AMBER] use of random seed in multiple runs (Fri Jun 05 2009 - 08:37:42 CDT)
  • Re: [AMBER] use of random seed in multiple runs (Fri Jun 05 2009 - 08:28:03 CDT)
  • Re: [AMBER] use of random seed in multiple runs (Wed Jun 03 2009 - 21:00:51 CDT)
  • Re: [AMBER] use of random seed in multiple runs (Wed Jun 03 2009 - 08:55:24 CDT)
  • Re: [AMBER] create a simulation box (Tue Jun 02 2009 - 10:08:46 CDT)
  • Re: [AMBER] atom number exceeds the MAXATOM when running antechamber (Tue Jun 02 2009 - 10:04:33 CDT)
  • Re: [AMBER] Choice of force feild (Tue Jun 02 2009 - 09:58:11 CDT)
  • Re: [AMBER] Can we use GROMACS or NAMD for MD, and then use MM-PBSA to culculate binding energy (Tue Jun 02 2009 - 09:53:19 CDT)
  • Re: [AMBER] Targeted MD and QM/MM (Tue Jun 02 2009 - 09:43:35 CDT)
  • Re: [AMBER] J coupling constant calculation (Tue Jun 02 2009 - 09:18:08 CDT)
• Haizhen Zhong
  • [AMBER] Computational Alanine Scanning using mm_pbsa, any tutorial for amber9 or amber 10 version? (Fri Jun 05 2009 - 18:17:01 CDT)
  • [AMBER] bad atom type in mm_pbsa calculation. How to solve it? Thanks! (Wed Jun 03 2009 - 18:00:34 CDT)
• Hannes Loeffler
  • Re: [AMBER] Distance-covariance and PCA questions... (Wed Jun 17 2009 - 02:41:42 CDT)
  • Re: [AMBER] ptraj quasiharmonic analysis (Tue Jun 09 2009 - 02:19:23 CDT)
• Hemant Gangwar
  • [AMBER] POL3 & SHAKE (Tue Jun 09 2009 - 15:53:27 CDT)
• Hemant Kumar
  • RE: [AMBER] dipole printing (Fri Jun 12 2009 - 14:03:17 CDT)
  • [AMBER] dipole printing (Fri Jun 12 2009 - 10:58:29 CDT)
  • [AMBER] POL3 (Sun Jun 07 2009 - 13:27:29 CDT)
• Hopkins, Robert
  • RE: [Subject Filtered] Re: [AMBER] Amber10 Parallel Installation 8% (Mon Jun 22 2009 - 14:54:17 CDT)
  • [AMBER] Amber10 Parallel Installation (Sat Jun 20 2009 - 14:50:16 CDT)
• Ilyas Yildirim
  • Re: »Ø¸´£º »Ø¸´£º [AMBER] too high in binding energy (MM-PBSA) (Sat Jun 13 2009 - 13:19:09 CDT)
• InSuk Joung
  • Re: [AMBER] help with parameters for ions (Tue Jun 02 2009 - 13:14:46 CDT)
  • Re: [AMBER] help with parameters for ions (Tue Jun 02 2009 - 10:28:55 CDT)
• Ivaylo, Ivanov
  • [AMBER] Postdoc position in biomolecular simulation (Thu Jun 18 2009 - 18:26:05 CDT)
• Jack Shultz
  • Re: [AMBER] Trying to patch amber 9 (Wed Jun 24 2009 - 10:25:41 CDT)
  • Re: [AMBER] Trying to patch amber 9 (Wed Jun 24 2009 - 10:18:23 CDT)
  • [AMBER] Trying to patch amber 9 (Wed Jun 24 2009 - 08:24:40 CDT)
  • Re: [AMBER] From DLG to Antechamber (Fri Jun 19 2009 - 09:34:33 CDT)
  • Re: [AMBER] From DLG to Antechamber (Fri Jun 19 2009 - 09:21:37 CDT)
  • Re: [AMBER] From DLG to Antechamber (Fri Jun 19 2009 - 08:09:06 CDT)
  • Re: [AMBER] From DLG to Antechamber (Fri Jun 19 2009 - 07:27:20 CDT)
  • [AMBER] From DLG to Antechamber (Thu Jun 18 2009 - 19:04:15 CDT)
  • [AMBER] Antechamber: stuck at bondtype (Wed Jun 17 2009 - 07:50:11 CDT)
• jacky zhao
  • Re: [AMBER] Can we use GROMACS or NAMD for MD, and then use MM-PBSA to culculate binding energy (Wed Jun 03 2009 - 08:44:12 CDT)
• Jacopo Sgrignani
  • [AMBER] Copper semiempirical parameters (Thu Jun 11 2009 - 08:49:50 CDT)
• Jagan Mohan
  • [AMBER] Box Center (Fri Jun 26 2009 - 03:02:05 CDT)
• janzso_at_brc.hu
  • Re: [AMBER] problem with parametrization (Mon Jun 29 2009 - 04:30:50 CDT)
  • Re: [AMBER] problem with parametrization (Thu Jun 25 2009 - 07:04:27 CDT)
  • Re: [AMBER] problem with parametrization (Thu Jun 25 2009 - 06:40:35 CDT)
  • Re: [AMBER] problem with parametrization (Thu Jun 25 2009 - 04:49:50 CDT)
  • [AMBER] problem with parametrization (Wed Jun 24 2009 - 13:24:45 CDT)
• Javier Klett
  • Re: [Barracuda SPAM] Re: [AMBER] Atom Type List (Mon Jun 22 2009 - 11:34:43 CDT)
  • [AMBER] Atom Type List (Mon Jun 22 2009 - 04:54:43 CDT)
• Jayalakshmi Sridhar
  • Re: [AMBER] DNA as well as protein distorted during MD run in sander (Tue Jun 09 2009 - 11:02:56 CDT)
  • Re: [AMBER] DNA as well as protein distorted during MD run in sander (Tue Jun 09 2009 - 10:44:39 CDT)
  • Re: [AMBER] DNA as well as protein distorted during MD run in sander (Tue Jun 09 2009 - 10:33:51 CDT)
  • [AMBER] DNA as well as protein distorted during MD run in sander (Tue Jun 09 2009 - 09:30:39 CDT)
• Jesse Dylan Ziebarth (jziebrth)
  • RE: [AMBER] DNA as well as protein distorted during MD run in sander (Tue Jun 09 2009 - 10:47:34 CDT)
• Jianyin Shao
  • Re: [AMBER] hbond_DNAtraj (Wed Jun 03 2009 - 11:52:41 CDT)
• Jifeng Wang
  • Re: [AMBER] use of random seed in multiple runs (Thu Jun 04 2009 - 09:43:25 CDT)
  • Re: [AMBER] use of random seed in multiple runs (Thu Jun 04 2009 - 09:10:50 CDT)
• Joanna Panecka
  • [AMBER] ptraj image in non-orthorhombic cell (Wed Jun 03 2009 - 15:19:52 CDT)
• Jodi Hadden
  • [AMBER] 2-step vs 3-step TI, and softcores question (Tue Jun 23 2009 - 17:00:02 CDT)
  • [AMBER] input coordinates for vdW transition step in Amber 10 TI (Wed Jun 10 2009 - 15:27:16 CDT)
• Johan Sund
  • [AMBER] Improper dihedrals from .off and .lib files (Thu Jun 18 2009 - 05:15:37 CDT)
• john smith
  • [AMBER] MMPBSA and mm_pbsa_statistics.pl error (Tue Jun 02 2009 - 00:38:54 CDT)
• Jordan MONNET
  • Re: [AMBER] Strange contacts with water molecules (Wed Jun 17 2009 - 12:00:46 CDT)
  • Re: [AMBER] Strange contacts with water molecules (Tue Jun 09 2009 - 11:01:53 CDT)
  • [AMBER] Strange contacts with water molecules (Mon Jun 08 2009 - 16:39:26 CDT)
• Jorgen Simonsen
  • [AMBER] parameter for dihedral angle (Fri Jun 05 2009 - 10:16:56 CDT)
  • Re: [AMBER] creating bond (Wed Jun 03 2009 - 14:56:29 CDT)
  • [AMBER] creating bond (Wed Jun 03 2009 - 12:04:11 CDT)
• journal.update
  • [AMBER] How to build amide bond etween two protein chains (Tue Jun 23 2009 - 23:36:07 CDT)
• Ju Zhang
  • [AMBER] "loadoff tRNA.lib" in Leap (Tue Jun 23 2009 - 15:55:25 CDT)
• Jun Wang
  • RE: [AMBER] total charge for NPRO in ff03ua (Mon Jun 15 2009 - 18:35:39 CDT)
• Junmei Wang
  • Re: [AMBER] re: net charge (Tue Jun 23 2009 - 15:41:24 CDT)
  • Re: [AMBER] ligand QM/semi-empirical coords optmisation (Fri Jun 05 2009 - 10:01:32 CDT)
• Justine Shaw Condo
  • [AMBER] Partial charges of heme (Tue Jun 30 2009 - 13:28:11 CDT)
• Karl Kirschner
  • Re: [AMBER] Saccharides chains termini (Tue Jun 30 2009 - 09:57:46 CDT)
  • Re: [AMBER] bond length energy (Fri Jun 19 2009 - 04:57:04 CDT)
  • Re: [AMBER] GLYCAM: warnings by writing topology (Wed Jun 17 2009 - 03:33:55 CDT)
  • Re: [AMBER] glycopeptide Parametrization (Fri Jun 12 2009 - 10:06:17 CDT)
  • Re: [AMBER] (no subject) (Mon Jun 08 2009 - 06:38:42 CDT)
  • Re: [AMBER] average torsional energy (Mon Jun 08 2009 - 03:29:05 CDT)
• Kaushik Raha
  • Re: [AMBER] Compiling and running NAB programs in parallel using MPI (Tue Jun 30 2009 - 09:48:11 CDT)
  • Re: [AMBER] Compiling and running NAB programs in parallel using MPI (Fri Jun 26 2009 - 10:12:11 CDT)
  • [AMBER] Compiling and running NAB programs in parallel using MPI (Thu Jun 25 2009 - 16:36:35 CDT)
• KIRTANA S
  • [AMBER] Regd: parameter Fe4S4 (Mon Jun 29 2009 - 11:11:49 CDT)
  • [AMBER] parameters Fe4S4 cluster (Sun Jun 21 2009 - 21:30:08 CDT)
  • [AMBER] Re: residue (Fri Jun 19 2009 - 10:03:31 CDT)
  • [AMBER] residue (Thu Jun 18 2009 - 14:59:50 CDT)
  • Re: [AMBER] Residues (Thu Jun 18 2009 - 14:57:11 CDT)
  • [AMBER] connecting residues (Tue Jun 16 2009 - 10:59:37 CDT)
  • [AMBER] Re: connect (Mon Jun 15 2009 - 15:18:54 CDT)
  • Re: [AMBER] Residues (Sat Jun 13 2009 - 19:14:31 CDT)
  • [AMBER] Re: Residues (Fri Jun 12 2009 - 20:15:20 CDT)
  • Re: [AMBER] Residues (Fri Jun 12 2009 - 14:41:02 CDT)
  • [AMBER] help (Fri Jun 12 2009 - 08:42:04 CDT)
  • Re: [AMBER] Residues (Fri Jun 12 2009 - 10:07:50 CDT)
  • [AMBER] Residues (Fri Jun 12 2009 - 09:10:39 CDT)
• kureeckal ramesh
  • [AMBER] error in tleap of AMBER 10 (Fri Jun 26 2009 - 02:10:56 CDT)
  • [AMBER] error in tleap of AMBER 10 (Wed Jun 24 2009 - 00:03:55 CDT)
• Lachele Foley (Lists)
  • Re: [AMBER] Saccharides chains termini (Tue Jun 30 2009 - 09:46:09 CDT)
• lev kantorovich
  • [AMBER] question (Wed Jun 10 2009 - 09:20:08 CDT)
• Lili Peng
  • Re: [AMBER] Coarse grained MD in AMBER ? (Wed Jun 17 2009 - 13:57:58 CDT)
• M. L. Dodson
  • [AMBER] Need help with nab code to access the m_prm struct in a molecule (Mon Jun 15 2009 - 14:49:02 CDT)
  • Re: [AMBER] Histidine, which form? (Mon Jun 15 2009 - 11:45:25 CDT)
• Madhurima Jana
  • [AMBER] Force field parameter for Unionized Phenylalanine HOOC-CH(NH2)-CH2-C6H5 (Fri Jun 19 2009 - 01:40:43 CDT)
  • [AMBER] how to create prmtop and inpcrd files for covalent neutral phenylalanine (Thu Jun 18 2009 - 07:39:03 CDT)
• Mahmoud A. A. Ibrahim
  • [AMBER] Reference Correction (Sun Jun 21 2009 - 15:11:34 CDT)
• Mannan
  • [AMBER] where to I get the parameters for Mg divalent ion (Wed Jun 17 2009 - 23:11:19 CDT)
  • [AMBER] How to calculate SASA in vmd (Wed Jun 17 2009 - 01:40:05 CDT)
• manoj singh
  • Re: [AMBER] PMEMD compilation (Sat Jun 20 2009 - 23:30:17 CDT)
  • Re: [AMBER] PMEMD compilation (Sat Jun 20 2009 - 23:22:01 CDT)
  • Re: [AMBER] PMEMD compilation (Sat Jun 20 2009 - 23:05:44 CDT)
  • [AMBER] PMEMD compilation (Fri Jun 19 2009 - 17:49:31 CDT)
• Marc Baaden
  • Re: [AMBER] Can we use GROMACS or NAMD for MD, and then use MM-PBSA to culculate binding energy (Tue Jun 02 2009 - 15:56:29 CDT)
• Marek Maly
  • Re: [AMBER] Nonstandard molecules simulated with parm99EP ? (Mon Jun 29 2009 - 15:48:52 CDT)
  • [AMBER] Nonstandard molecules simulated with parm99EP ? (Mon Jun 29 2009 - 12:06:27 CDT)
  • Re: [AMBER] Half charge reported during NN ? (Wed Jun 24 2009 - 12:43:26 CDT)
  • [AMBER] Half charge reported during NN ? (Wed Jun 24 2009 - 11:33:54 CDT)
  • [AMBER] PRINCIPAL QUESTION (Thu Jun 11 2009 - 10:41:42 CDT)
  • Re: [AMBER] SOS - too high binding energy (Wed Jun 10 2009 - 14:47:58 CDT)
  • Re: [AMBER] Thermodynamic parameters in mm_PBSA - NAB ? (Wed Jun 10 2009 - 14:47:41 CDT)
  • [AMBER] Thermodynamic parameters in mm_PBSA - NAB ? (Wed Jun 10 2009 - 05:33:59 CDT)
  • [AMBER] SOS - too high binding energy (Tue Jun 09 2009 - 05:49:43 CDT)
  • [AMBER] mm_pbsa_statistics-CALC DELTA parameter ? (Mon Jun 08 2009 - 14:16:19 CDT)
  • [AMBER] MaxRad ? (Sat Jun 06 2009 - 15:56:44 CDT)
  • Re: [AMBER] use of random seed in multiple runs (Fri Jun 05 2009 - 14:40:13 CDT)
  • [AMBER] Proper ISTRNG value ? (Fri Jun 05 2009 - 11:24:58 CDT)
  • Re: [AMBER] use of random seed in multiple runs (Fri Jun 05 2009 - 08:49:14 CDT)
  • Re: [AMBER] use of random seed in multiple runs (Thu Jun 04 2009 - 15:01:54 CDT)
  • Re: [AMBER] use of random seed in multiple runs (Thu Jun 04 2009 - 14:16:50 CDT)
  • Re: [AMBER] use of random seed in multiple runs (Thu Jun 04 2009 - 11:35:57 CDT)
• Mark Williamson
  • Re: [AMBER] bond length energy (Wed Jun 17 2009 - 12:29:09 CDT)
  • Re: [AMBER] Specifying improper dihedrals (Wed Jun 17 2009 - 12:12:08 CDT)
• Markus Kaukonen
  • Re: [AMBER] Fe-S topology (Tue Jun 30 2009 - 02:28:51 CDT)
• Maryam Hamzehee
  • Re: 回å¤�： 回å¤�： 回å¤�： [AMBER] too high in binding energy (MM-PBSA) (Mon Jun 15 2009 - 05:00:50 CDT)
  • Re: 回å¤�： 回å¤�： [AMBER] too high in binding energy (MM-PBSA) (Sat Jun 13 2009 - 13:02:57 CDT)
  • Re: 回å¤�： 回å¤�： [AMBER] too high in binding energy (MM-PBSA) (Sat Jun 13 2009 - 13:02:16 CDT)
  • Re: 回å¤�： 回å¤�： [AMBER] too high in binding energy (MM-PBSA) (Sat Jun 13 2009 - 13:02:06 CDT)
  • Re: 回å¤�： [AMBER] too high in binding energy (MM-PBSA) (Sat Jun 13 2009 - 08:56:16 CDT)
  • [AMBER] too high in binding energy (MM-PBSA) (Sat Jun 13 2009 - 04:53:43 CDT)
• Masakazu SEKIJIMA
  • Re: [AMBER] Re: Error on equilibriation of Amber10 (Thu Jun 25 2009 - 12:41:39 CDT)
  • [AMBER] Re: Error on equilibriation of Amber10 (Thu Jun 25 2009 - 05:45:31 CDT)
  • [AMBER] Error on equilibriation of Amber10 (Mon Jun 22 2009 - 05:59:55 CDT)
• moitrayee_at_mbu.iisc.ernet.in
  • Re: [AMBER] unit of charge in prep files (Tue Jun 09 2009 - 20:18:58 CDT)
  • [AMBER] unit of charge in prep files (Tue Jun 09 2009 - 06:35:51 CDT)
  • [AMBER] Problem with modified trna[Fwd: problem with creation of prmtop and prmcrd files]] (Mon Jun 08 2009 - 09:30:21 CDT)
  • [AMBER] Problem with modified trna[Fwd: problem with creation of prmtop and prmcrd files] (Mon Jun 08 2009 - 09:28:14 CDT)
  • [AMBER] problem with creation of prmtop and prmcrd files (Mon Jun 08 2009 - 08:00:18 CDT)
• Myunggi Yi
  • [AMBER] Amber tools 1.2 , Bug report (PTRAJ: dumpq with strip) (Wed Jun 24 2009 - 13:57:25 CDT)
  • Re: [AMBER] Compiling amber 9 with openMPI (Tue Jun 23 2009 - 13:11:46 CDT)
  • [AMBER] Compiling amber 9 with openMPI (Tue Jun 23 2009 - 08:31:58 CDT)
  • [AMBER] setBox truncated octahedron (Thu Jun 11 2009 - 12:27:26 CDT)
• Naser Alijabbari
  • Re: [AMBER] how to know that adequate equilibration from rmsd curve of equilibration (Sat Jun 27 2009 - 13:19:23 CDT)
  • Re: [AMBER] use of random seed in multiple runs (Fri Jun 05 2009 - 10:30:55 CDT)
• Neha Gandhi
  • [AMBER] ptraj quasiharmonic analysis (Tue Jun 09 2009 - 01:38:01 CDT)
• nicholus bhattacharjee
  • Re: [AMBER] Re: addions (Wed Jun 03 2009 - 08:44:51 CDT)
• Patrick Gedeon
  • [AMBER] PCA for CA of specific resiudes (Thu Jun 25 2009 - 06:43:20 CDT)
• Paul Mortenson
  • RE: [AMBER] Sander imin=5 option (Tue Jun 16 2009 - 10:09:54 CDT)
  • [AMBER] Sander imin=5 option (Tue Jun 16 2009 - 09:46:37 CDT)
  • RE: [AMBER] Max filename length in Sander? (Tue Jun 09 2009 - 09:47:57 CDT)
  • [AMBER] Max filename length in Sander? (Mon Jun 08 2009 - 05:59:52 CDT)
• Peter Gannett
  • [AMBER] atom type no recognize - xleap version 10 but fine in v 9 (Fri Jun 19 2009 - 14:40:47 CDT)
  • [AMBER] Re: addions (Wed Jun 03 2009 - 09:17:57 CDT)
• Peter Varnai
  • [AMBER] minimization to reduce covalent deviation (Mon Jun 01 2009 - 15:25:07 CDT)
  • Re: [AMBER] makeDIST_RST: no map function for ambiguous restraint (Mon Jun 01 2009 - 14:49:36 CDT)
• Peterson, Matthew W.
  • [AMBER] Pentavalent Phosphorous and Antechamber (Wed Jun 03 2009 - 09:12:44 CDT)
• Prem Prakash Pathak
  • [AMBER] steps for NMR structure minimization of protein (Mon Jun 29 2009 - 09:13:33 CDT)
  • [AMBER] steps for NMR structure minimization of protein (Mon Jun 29 2009 - 09:12:40 CDT)
  • [AMBER] Steps for NMR structure minimization (Mon Jun 29 2009 - 09:09:34 CDT)
• Rachel Rice
  • Re: [AMBER] ptraj clustering with sieve- unexpected Bus Error (Tue Jun 30 2009 - 10:06:03 CDT)
  • Re: [AMBER] ptraj clustering with sieve- unexpected Bus Error (Thu Jun 25 2009 - 22:24:18 CDT)
  • Re: [AMBER] ptraj clustering with sieve- unexpected Bus Error (Thu Jun 25 2009 - 21:36:06 CDT)
  • Re: [AMBER] ptraj clustering with sieve- unexpected Bus Error (Thu Jun 25 2009 - 19:54:31 CDT)
  • [AMBER] ptraj clustering with sieve- unexpected Bus Error (Thu Jun 25 2009 - 10:24:25 CDT)
• Raja Pandian
  • Re: [AMBER] (Thu Jun 18 2009 - 07:35:10 CDT)
  • Re: [AMBER] parameter for dihedral angle (Sat Jun 06 2009 - 00:13:52 CDT)
• Ray Luo
  • Re: [AMBER] Error in MM PBSA (Mon Jun 08 2009 - 13:12:22 CDT)
  • Re: [AMBER] Error in MM PBSA (Sun Jun 07 2009 - 14:17:30 CDT)
  • Re: [AMBER] Error in MM PBSA (Sat Jun 06 2009 - 09:37:43 CDT)
  • Re: [AMBER] Error in MM PBSA (Thu Jun 04 2009 - 16:00:51 CDT)
  • Re: [AMBER] MMPBSA and mm_pbsa_statistics.pl error (Tue Jun 02 2009 - 23:49:34 CDT)
  • RE: [AMBER] MM-PBSA nmode statistics (Mon Jun 01 2009 - 14:05:48 CDT)
• rebeca
  • Re: [AMBER] problems with EP of TIP4PEW (Wed Jun 03 2009 - 13:40:12 CDT)
  • [AMBER] problems with EP of TIP4PEW (Wed Jun 03 2009 - 10:43:58 CDT)
  • [AMBER] spc.itp for the Amber force field (Wed Jun 03 2009 - 09:46:46 CDT)
  • Fwd: Re: [AMBER] help with parameters for ions (Tue Jun 02 2009 - 13:33:41 CDT)
  • Re: [AMBER] help with parameters for ions (Tue Jun 02 2009 - 12:38:00 CDT)
  • Re: [AMBER] help with parameters for ions (Tue Jun 02 2009 - 10:10:17 CDT)
  • [AMBER] help with parameters for ions (Tue Jun 02 2009 - 07:46:14 CDT)
• Rilei Yu
  • Re: [AMBER] Analysis of the solt-bridge (Mon Jun 29 2009 - 17:42:23 CDT)
  • [AMBER] Analysis of the solt-bridge (Sun Jun 28 2009 - 17:24:28 CDT)
  • [AMBER] Thanks Simon and Vlad! (Thu Jun 25 2009 - 18:32:35 CDT)
  • [AMBER] ADD SALT (Thu Jun 25 2009 - 04:22:20 CDT)
• Robert Duke
  • Re: [AMBER] Is the result of sander same as that of pmemd? (Fri Jun 12 2009 - 09:09:45 CDT)
  • Re: [AMBER] Max filename length in Sander? (Tue Jun 09 2009 - 10:01:39 CDT)
  • Re: [AMBER] sander error (Mon Jun 08 2009 - 22:27:52 CDT)
  • Re: [AMBER] Max filename length in Sander? (Mon Jun 08 2009 - 12:30:47 CDT)
  • [AMBER] Lost mail (Mon Jun 08 2009 - 06:58:02 CDT)
  • Re: [AMBER] Error message? INFO: Old style inpcrd file read (Sun Jun 07 2009 - 22:19:38 CDT)
  • Re: [AMBER] use of random seed in multiple runs (Fri Jun 05 2009 - 10:45:09 CDT)
  • Re: [AMBER] use of random seed in multiple runs (Fri Jun 05 2009 - 09:45:32 CDT)
  • Re: [AMBER] use of random seed in multiple runs (Fri Jun 05 2009 - 09:37:14 CDT)
  • Re: [AMBER] use of random seed in multiple runs (Thu Jun 04 2009 - 12:02:58 CDT)
  • Re: [AMBER] use of random seed in multiple runs (Thu Jun 04 2009 - 09:31:32 CDT)
  • Re: [AMBER] use of random seed in multiple runs (Wed Jun 03 2009 - 22:59:48 CDT)
• Roman Osman
  • Re: [AMBER] Residues (Thu Jun 18 2009 - 16:58:53 CDT)
• Rose Tamil
  • Re: [AMBER] Atom names (Wed Jun 03 2009 - 15:43:56 CDT)
  • Re: [AMBER] Atom names (Wed Jun 03 2009 - 09:53:51 CDT)
  • Re: [AMBER] Atom names (Tue Jun 02 2009 - 06:50:47 CDT)
  • [AMBER] Atom names (Tue Jun 02 2009 - 05:53:50 CDT)
• Ross Walker
  • RE: [AMBER] Velocity rescaling and ig... (Sun Jun 28 2009 - 11:18:08 CDT)
  • RE: [AMBER] Hard limit in Amber10? (Wed Jun 24 2009 - 11:02:17 CDT)
  • RE: [AMBER] reclaiming space from amber10 installation (Mon Jun 22 2009 - 20:26:36 CDT)
  • RE: [AMBER] PMEMD compilation (Sat Jun 20 2009 - 23:32:18 CDT)
  • RE: [AMBER] PMEMD compilation (Sat Jun 20 2009 - 23:15:23 CDT)
  • RE: [AMBER] Hard limit in Amber10? (Sat Jun 20 2009 - 12:40:46 CDT)
  • RE: [AMBER] PMEMD compilation (Sat Jun 20 2009 - 12:36:14 CDT)
  • RE: [AMBER] to unsubscribe email (Wed Jun 17 2009 - 03:09:39 CDT)
  • RE: [AMBER] Re: connect (Mon Jun 15 2009 - 20:43:46 CDT)
  • RE: [AMBER] to unsubscribe email (Mon Jun 15 2009 - 11:59:06 CDT)
  • RE: [AMBER] Histidine, which form? (Mon Jun 15 2009 - 11:39:04 CDT)
  • RE: [AMBER] Histidine, which form? (Mon Jun 15 2009 - 10:06:49 CDT)
  • RE: [AMBER] Are ntrp=1000, ntwx=1000, ntwr=500 reasonable for long MD simulations? (Mon Jun 15 2009 - 09:49:43 CDT)
  • RE: [AMBER] Is the result of sander same as that of pmemd? (Sat Jun 13 2009 - 11:12:51 CDT)
  • RE: [AMBER] dipole printing (Fri Jun 12 2009 - 11:13:30 CDT)
  • RE: [AMBER] glycopeptide Parametrization (Fri Jun 12 2009 - 11:09:37 CDT)
  • RE: [AMBER] help (Fri Jun 12 2009 - 11:02:06 CDT)
  • RE: [AMBER] Copper semiempirical parameters (Thu Jun 11 2009 - 11:09:14 CDT)
  • RE: [AMBER] GAFF atom type question (Thu Jun 11 2009 - 10:43:50 CDT)
  • RE: [AMBER] ptraj "image" "center" commands (Thu Jun 11 2009 - 10:30:08 CDT)
  • RE: [AMBER] question (Wed Jun 10 2009 - 22:19:01 CDT)
  • RE: [AMBER] PDMED (Tue Jun 09 2009 - 01:35:25 CDT)
  • RE: [AMBER] PDMED (Tue Jun 09 2009 - 00:19:36 CDT)
  • RE: [AMBER] Strange contacts with water molecules (Mon Jun 08 2009 - 22:16:41 CDT)
  • RE: [AMBER] sander error (Mon Jun 08 2009 - 20:41:06 CDT)
  • RE: [AMBER] Warning: No sp2 improper torsion term for (Fri Jun 05 2009 - 09:13:53 CDT)
• Rukman Hertadi
  • [AMBER] Constant pH simulation (Wed Jun 10 2009 - 19:56:59 CDT)
• s. Bill
  • Re: [AMBER] Histidine, which form? (Mon Jun 15 2009 - 11:28:27 CDT)
  • [AMBER] pKa data base.... (Mon Jun 15 2009 - 11:01:14 CDT)
• s_bill36_at_yahoo.co.uk
  • [AMBER] Histidine, which form? (Mon Jun 15 2009 - 09:54:05 CDT)
  • [AMBER] PLEASE HELP - PDB Modification (Sun Jun 14 2009 - 12:29:31 CDT)
• Sally Pias
  • [AMBER] explicit solvent NMR refinement (Sun Jun 28 2009 - 03:46:56 CDT)
• Samuel Genheden
  • [AMBER] Question of about MM-PBSA and mm_pbsa_createinput.pm script (Tue Jun 09 2009 - 07:43:19 CDT)
• Sergey Samsonov
  • [AMBER] Saccharides chains termini (Tue Jun 30 2009 - 09:32:53 CDT)
  • [AMBER] Sulfates parameterization for GAGs in GLYCAM_06 (Thu Jun 18 2009 - 08:07:17 CDT)
  • Re: [AMBER] GLYCAM: warnings by writing topology (Thu Jun 18 2009 - 07:49:31 CDT)
  • Re: [AMBER] GLYCAM: warnings by writing topology (Wed Jun 17 2009 - 04:09:23 CDT)
  • Re: [AMBER] GLYCAM: warnings by writing topology (Wed Jun 17 2009 - 03:18:33 CDT)
  • Re: [AMBER] GLYCAM: warnings by writing topology (Wed Jun 17 2009 - 03:10:33 CDT)
  • Re: [AMBER] GLYCAM: warnings by writing topology (Wed Jun 17 2009 - 02:50:46 CDT)
  • [AMBER] GLYCAM: warnings by writing topology (Wed Jun 17 2009 - 01:38:56 CDT)
• sgrignani_at_cerm.unifi.it
  • R: [AMBER] Amber10 Parallel Installation (Sat Jun 20 2009 - 15:14:38 CDT)
• Shaikh Abdul R S Ramaju
  • [AMBER] REMD (Tue Jun 23 2009 - 00:32:34 CDT)
• Shubhra Gupta
  • Re: [AMBER] GLYCAM: warnings by writing topology (Wed Jun 17 2009 - 05:33:50 CDT)
  • Re: [AMBER] Re: addions (Thu Jun 04 2009 - 23:38:20 CDT)
  • Re: [AMBER] Pentavalent Phosphorous and Antechamber (Wed Jun 03 2009 - 23:37:08 CDT)
  • [AMBER] Re: addions (Wed Jun 03 2009 - 06:12:32 CDT)
  • [AMBER] addions (Wed Jun 03 2009 - 00:47:11 CDT)
• Siddharth Rastogi
  • [AMBER] SANDER BOMB in subroutine nonbond_list (Tue Jun 23 2009 - 11:39:58 CDT)
  • [AMBER] Coarse grained MD in AMBER ? (Wed Jun 17 2009 - 13:50:13 CDT)
• Simon Becker
  • [AMBER] ADD SALT additional question (Thu Jun 25 2009 - 07:34:36 CDT)
  • Re: [AMBER] ADD SALT (Thu Jun 25 2009 - 04:57:37 CDT)
• steinbrt_at_rci.rutgers.edu
  • [AMBER] Error when installing amber11 on OpenSuse (Thu Jun 25 2009 - 07:19:59 CDT)
  • Re: [AMBER] 2-step vs 3-step TI, and softcores question (Tue Jun 23 2009 - 17:27:46 CDT)
  • Re: [AMBER] vlimit in TI with soft core potential (Wed Jun 17 2009 - 03:47:38 CDT)
  • Re: [AMBER] input coordinates for vdW transition step in Amber 10 TI (Thu Jun 11 2009 - 05:42:51 CDT)
• subarna thakur
  • [AMBER] Fe-S topology (Tue Jun 30 2009 - 01:29:16 CDT)
  • [AMBER] installation of RESP programm (Fri Jun 26 2009 - 03:52:57 CDT)
• Syed Tarique Moin
  • [AMBER] RESP (Mon Jun 29 2009 - 02:42:51 CDT)
• TaoPaul
  • [AMBER] how to creat an mixture sovlent of hexane and water (Sun Jun 28 2009 - 10:58:19 CDT)
• Taufik Al-Sarraj
  • Re: [AMBER] atom type (Fri Jun 05 2009 - 11:07:14 CDT)
  • Re: [AMBER] atom type (Fri Jun 05 2009 - 08:58:50 CDT)
  • [AMBER] atom type (Thu Jun 04 2009 - 20:03:14 CDT)
• Thomas Cheatham
  • Re: [AMBER] radial distribution without normalization (Wed Jun 10 2009 - 17:11:40 CDT)
  • Re: [AMBER] ptraj_hbond_problem (Fri Jun 05 2009 - 00:28:11 CDT)
• Thomas Lake
  • [AMBER] bond length energy (Wed Jun 17 2009 - 09:04:55 CDT)
  • [AMBER] MM decomp energy - zero values for Eele, Evdw (Tue Jun 16 2009 - 10:36:50 CDT)
• Thomas Leonard
  • [AMBER] How to calculate the distance of CA of all residues in the trajectory (Sun Jun 07 2009 - 20:45:54 CDT)
• Titus, Jamie (bairdje)
  • RE: [AMBER] QQD psuedoatom restraints (Fri Jun 12 2009 - 13:51:25 CDT)
  • RE: [AMBER] QQD psuedoatom restraints (Mon Jun 01 2009 - 06:21:19 CDT)
• Tom Joseph
  • Re: [AMBER] where to I get the parameters for Mg divalent ion (Thu Jun 18 2009 - 22:53:01 CDT)
  • Re: »Ø¸´£º »Ø¸´£º »Ø¸´£º [AMBER] parallel error (Mon Jun 15 2009 - 09:06:05 CDT)
  • Re: »Ø¸´£º »Ø¸´£º [AMBER] parallel error (Mon Jun 15 2009 - 08:25:30 CDT)
  • Re: »Ø¸´£º [AMBER] parallel error (Mon Jun 15 2009 - 07:51:49 CDT)
  • Re: [AMBER] parallel error (Mon Jun 15 2009 - 06:54:19 CDT)
  • Re: [AMBER] PLEASE HELP - PDB Modification (Sun Jun 14 2009 - 18:36:16 CDT)
  • Re: [AMBER] problem with creation of prmtop and prmcrd files (Wed Jun 10 2009 - 20:30:19 CDT)
  • Re: [AMBER] Constant pH simulation (Wed Jun 10 2009 - 20:08:36 CDT)
  • Re: [AMBER] input coordinates for vdW transition step in Amber 10 TI (Wed Jun 10 2009 - 20:02:51 CDT)
  • Re: [AMBER] What is the parallel efficiency of amber10 (Mon Jun 08 2009 - 01:07:29 CDT)
• Urszula Uciechowska
  • [AMBER] to unsubscribe email (Mon Jun 15 2009 - 07:59:46 CDT)
  • Re: [AMBER] zinc coordination of benzimidazole (Thu Jun 11 2009 - 03:49:45 CDT)
• Valla Fatemi
  • [AMBER] Re: Seg-fault when creating residue (Wed Jun 17 2009 - 12:41:47 CDT)
  • [AMBER] Seg-fault when creating residue (Tue Jun 16 2009 - 20:28:43 CDT)
• Vikas S
  • [AMBER] Your private message from Vikas is about to expire (Sun Jun 21 2009 - 01:40:41 CDT)
  • [AMBER] vs_vikassharma@yahoo.co.in has sent you a private message (Sun Jun 07 2009 - 14:28:00 CDT)
• Vikas Sharma
  • [AMBER] AMBER ERROR (Sat Jun 13 2009 - 02:16:52 CDT)
  • [AMBER] MM PBSA ERROR (Fri Jun 12 2009 - 09:04:25 CDT)
  • [AMBER] Vertex atom mismatch in Amber (Wed Jun 10 2009 - 22:29:57 CDT)
  • [AMBER] Error in AMBER ( Vertex atom mismatch in Amber) (Wed Jun 10 2009 - 08:14:28 CDT)
  • [AMBER] MM PBSA ( Vertex atom mismatch in Amber) (Tue Jun 09 2009 - 22:28:22 CDT)
  • [AMBER] Vertex atom mismatch in Amber (Tue Jun 09 2009 - 08:41:33 CDT)
  • [AMBER] Error in MM PBSA (vertex atom mismatch) (Tue Jun 09 2009 - 01:33:38 CDT)
  • Re: [AMBER] Error in MM PBSA (Mon Jun 08 2009 - 12:44:06 CDT)
  • Re: [AMBER] Error in MM PBSA (Sun Jun 07 2009 - 12:02:03 CDT)
  • Re: [AMBER] Error in MM PBSA (Sat Jun 06 2009 - 04:03:22 CDT)
  • [AMBER] Error in MM PBSA (Thu Jun 04 2009 - 09:58:43 CDT)
  • [AMBER] Binding Energy (Thu Jun 04 2009 - 06:25:01 CDT)
  • Re: [AMBER] Error in MM PBSA (Wed Jun 03 2009 - 09:24:14 CDT)
  • Re: [AMBER] Error in MM PBSA (Wed Jun 03 2009 - 01:46:06 CDT)
  • Re: [AMBER] Error in MM PBSA (Wed Jun 03 2009 - 01:46:03 CDT)
  • Re: [AMBER] Error in MM PBSA (Wed Jun 03 2009 - 01:45:35 CDT)
  • [AMBER] Error in MM PBSA (Tue Jun 02 2009 - 08:42:16 CDT)
• Vishal Maingi
  • [AMBER] re: net charge (Tue Jun 23 2009 - 13:56:52 CDT)
  • [AMBER] net charge (Tue Jun 23 2009 - 09:19:51 CDT)
  • [AMBER] Fix Residue continued... (Thu Jun 18 2009 - 13:48:03 CDT)
  • [AMBER] entangle-less building (Wed Jun 10 2009 - 12:52:51 CDT)
  • [AMBER] GAFF and solvents.lib error (Wed Jun 10 2009 - 05:25:38 CDT)
  • [AMBER] (no subject) (Mon Jun 08 2009 - 06:14:22 CDT)
• Vlad Cojocaru
  • Re: [AMBER] ADD SALT additional question (Thu Jun 25 2009 - 09:55:15 CDT)
  • Re: [AMBER] ADD SALT additional question (Thu Jun 25 2009 - 09:51:54 CDT)
• wong105_at_llnl.gov
  • [AMBER] problem in pressure equillibration (Tue Jun 16 2009 - 01:18:22 CDT)
• Workalemhu Berhanu
  • [AMBER] setting atomic radii for GB version 7 (Wed Jun 24 2009 - 22:12:55 CDT)
  • [AMBER] Unknown residue: MOL number: 30 type: Terminal/last (Mon Jun 08 2009 - 13:30:43 CDT)
  • [AMBER] preparation of two solutes of organic molecules in a simulation box (Tue Jun 02 2009 - 18:09:04 CDT)
• xiaoqin huang
  • RE: [AMBER] ask for parm99MOD (Mon Jun 01 2009 - 15:25:02 CDT)
• xueqin pang
  • RE:Re: [AMBER] partial charges from AM1-BCC and RESP differ a lot (Tue Jun 16 2009 - 02:57:25 CDT)
  • [AMBER] partial charges from AM1-BCC and RESP differ a lot (Wed Jun 10 2009 - 07:39:31 CDT)
  • [AMBER] how to add water for membrane, in Z direction only or xyz (Thu Jun 04 2009 - 03:13:07 CDT)
  • [AMBER] no output when running Antechamber(espgen) (Thu Jun 04 2009 - 01:02:32 CDT)
  • [AMBER] NO output when running espgen? (Wed Jun 03 2009 - 08:13:06 CDT)
  • [AMBER] how to choose different comformations for RESP (Mon Jun 01 2009 - 19:32:51 CDT)
  • [AMBER] different comformations to choose for RESP (Mon Jun 01 2009 - 08:47:30 CDT)
  • [AMBER] atom number exceeds the MAXATOM when running antechamber (Mon Jun 01 2009 - 07:53:23 CDT)
• Yang, Ping
  • RE: [AMBER] Hard limit in Amber10? (Mon Jun 22 2009 - 20:52:39 CDT)
  • RE: [AMBER] Hard limit in Amber10? (Sat Jun 20 2009 - 18:44:11 CDT)
  • [AMBER] Hard limit in Amber10? (Fri Jun 19 2009 - 19:21:14 CDT)
• Ye MEI
  • [AMBER] query about the charge fitting procedure about C- and N-terminal residues (Fri Jun 26 2009 - 04:19:47 CDT)
  • Re: [AMBER] Antechamber: stuck at bondtype (Wed Jun 17 2009 - 08:48:18 CDT)
  • Re: [AMBER] vlimit in TI with soft core potential (Wed Jun 17 2009 - 04:13:40 CDT)
  • [AMBER] vlimit in TI with soft core potential (Wed Jun 17 2009 - 03:20:31 CDT)
  • Re: [AMBER] input coordinates for vdW transition step in Amber 10 TI (Thu Jun 11 2009 - 03:22:34 CDT)
• Youn Kyeung Lee
  • [AMBER] improper torsion problem (Tue Jun 16 2009 - 21:36:14 CDT)
• Yunjie Zhao
  • Re: [AMBER] Fix the local structure as a rigid body (Tue Jun 16 2009 - 08:57:10 CDT)
  • [AMBER] Fix the local structure as a rigid body (Tue Jun 16 2009 - 08:11:43 CDT)
• å»–é�’å�Ž
  • 回å¤�： 回å¤�： 回å¤�： 回å¤�： [AMBER] parallel error (Mon Jun 15 2009 - 09:20:59 CDT)
  • 回å¤�： 回å¤�： 回å¤�： [AMBER] parallel error (Mon Jun 15 2009 - 08:35:58 CDT)
  • 回å¤�： 回å¤�： [AMBER] parallel error (Mon Jun 15 2009 - 08:13:56 CDT)
  • 回å¤�： [AMBER] parallel error (Mon Jun 15 2009 - 07:08:27 CDT)
  • 回å¤�： 回å¤�： 回å¤�： 回å¤�： [AMBER] too high in binding energy (MM-PBSA) (Mon Jun 15 2009 - 05:45:09 CDT)
  • [AMBER] covalent interaction (Mon Jun 15 2009 - 03:06:52 CDT)
  • [AMBER] parallel error (Mon Jun 15 2009 - 02:31:27 CDT)
  • 回å¤�： 回å¤�： 回å¤�： [AMBER] too high in binding energy (MM-PBSA) (Sat Jun 13 2009 - 19:48:59 CDT)
  • 回å¤�： 回å¤�： [AMBER] too high in binding energy (MM-PBSA) (Sat Jun 13 2009 - 10:23:38 CDT)
  • 回å¤�： [AMBER] too high in binding energy (MM-PBSA) (Sat Jun 13 2009 - 07:44:31 CDT)
  • 回å¤�： [AMBER] Error in MM PBSA (Tue Jun 02 2009 - 09:30:47 CDT)

Last message date: Mon Nov 23 2009 - 13:51:08 CST
Archived on: Mon Nov 23 2009 - 13:51:11 CST