AMBER Archive (2007) - Jan 2007 By Author

Starting: Mon Jan 01 2007 - 04:16:12 CST
Ending: Wed Jan 31 2007 - 23:19:48 CST

• $BJ}b}(B
  • Re: AMBER: About the problem of the PMEMD and cutoff (Mon Jan 15 2007 - 06:45:29 CST)
  • AMBER: About the problem of the PMEMD and cutoff (Sun Jan 14 2007 - 21:56:17 CST)
• A Box
  • AMBER: Antechamber Charge Calculation Method (Mon Jan 29 2007 - 18:46:42 CST)
• Akshay Patny
  • RE: AMBER: ADDIONS do not neutralize to ZERO (Mon Jan 29 2007 - 11:04:58 CST)
  • RE: AMBER: RESP Charges for Charged Carboxylate in Organic Ligand (Mon Jan 29 2007 - 10:57:45 CST)
  • AMBER: Ligand-Protein Distance Restraints during MD Simulation (Fri Jan 26 2007 - 18:06:26 CST)
  • RE: AMBER: ADDIONS do not neutralize to ZERO (Fri Jan 26 2007 - 17:38:48 CST)
  • RE: AMBER: NVT/NPT equilibration issue in GPCR-membrane simulation (Fri Jan 26 2007 - 17:27:56 CST)
  • AMBER: NVT/NPT equilibration issue in GPCR-membrane simulation (Fri Jan 26 2007 - 16:23:46 CST)
  • RE: AMBER: Defining BOX INFO during TLEAP (Wed Jan 24 2007 - 13:54:37 CST)
  • AMBER: Defining BOX INFO during TLEAP (Mon Jan 22 2007 - 21:02:15 CST)
  • RE: AMBER: ADDIONS do not neutralize to ZERO (Mon Jan 22 2007 - 20:10:47 CST)
  • AMBER: ADDIONS do not neutralize to ZERO (Mon Jan 22 2007 - 19:19:20 CST)
  • AMBER: RESP Charges for Charged Carboxylate in Organic Ligand (Fri Jan 19 2007 - 02:34:58 CST)
  • RE: AMBER: Leap adding extra atoms (Thu Jan 11 2007 - 15:38:37 CST)
  • AMBER: Leap adding 3 extra atoms (Thu Jan 11 2007 - 11:35:00 CST)
• Amit Kumar
  • Re: AMBER: issues with restrt file (Thu Jan 18 2007 - 12:27:12 CST)
  • Re: AMBER: issues with restrt file (Thu Jan 18 2007 - 11:59:40 CST)
  • AMBER: issues with restrt file (Thu Jan 18 2007 - 10:15:52 CST)
• Andreas Svrcek-Seiler
  • Re: AMBER: question about the testing of AMBER9 (Mon Jan 08 2007 - 05:15:58 CST)
• Antonio Morreale
  • AMBER: mm_pbsa_statistics.pl (Tue Jan 16 2007 - 06:28:52 CST)
• Austin B. Yongye
  • Re: AMBER: Charges in TI calculations and leap (Tue Jan 30 2007 - 14:10:54 CST)
  • AMBER: Charges in TI calculations and leap (Tue Jan 30 2007 - 13:35:50 CST)
  • AMBER: vdW parameters for chlorine atom (Wed Jan 17 2007 - 11:19:34 CST)
• AYTUG TUNCEL
  • AMBER: how much restraint ? (Mon Jan 22 2007 - 16:09:12 CST)
  • AMBER: mm_pbsa vertex atom mismatch (Tue Jan 16 2007 - 17:10:35 CST)
• Barbault Florent
  • Re: AMBER: H-bond in ptraj (Fri Jan 05 2007 - 02:20:22 CST)
• bertrand russell
  • Re: AMBER: Installation help - SGI Altix 350 (Tue Jan 09 2007 - 01:17:54 CST)
• Bill Ross
  • Re: AMBER: radius of gyration (Mon Jan 29 2007 - 13:51:39 CST)
  • RE: AMBER: ADDIONS do not neutralize to ZERO (Sun Jan 28 2007 - 14:41:43 CST)
  • Re: AMBER: radius of gyration (Sun Jan 28 2007 - 14:01:05 CST)
  • Re: AMBER: coordinates ****** (Tue Jan 23 2007 - 15:20:10 CST)
  • Re: AMBER: nuc.in file (Tue Jan 23 2007 - 11:42:44 CST)
  • RE: AMBER: ADDIONS do not neutralize to ZERO (Tue Jan 23 2007 - 11:30:06 CST)
  • Re: AMBER: ADDIONS do not neutralize to ZERO (Mon Jan 22 2007 - 19:58:11 CST)
  • Re: AMBER: calcium parameter for GB (Thu Jan 18 2007 - 12:36:01 CST)
  • Re: AMBER: Drug bound to the protein (Wed Jan 17 2007 - 13:28:15 CST)
  • Re: AMBER: Leap adding 3 extra atoms (Thu Jan 11 2007 - 13:33:14 CST)
  • RE: AMBER: question about the testing of AMBER9 (Mon Jan 08 2007 - 14:05:19 CST)
  • Re: AMBER: improper torsions (Mon Jan 08 2007 - 14:00:06 CST)
  • Re: AMBER: 22 improper torsions in old prep form (Fri Jan 05 2007 - 12:39:23 CST)
  • Re: AMBER: Re:tree name generated by tleap is different from the input PREP parameter file (Tue Jan 02 2007 - 22:26:14 CST)
• Bing Liu
  • Re: AMBER: mm-pbsa, long distance free energy calculation problem (Thu Jan 18 2007 - 15:09:38 CST)
  • AMBER: mm-pbsa, long distance free energy calculation problem (Thu Jan 18 2007 - 11:06:53 CST)
• caoch_at_cherry.bio.titech.ac.jp
  • AMBER: AMBER citation questions (Thu Jan 04 2007 - 02:59:08 CST)
• Carlos Javier Nuñez Aguero
  • AMBER: equilibration with amber5, production of MD with amber7 (Fri Jan 19 2007 - 14:47:05 CST)
• Carlos Simmerling
  • Re: AMBER: nonpolar solvation energy (Wed Jan 31 2007 - 13:54:14 CST)
  • Re: AMBER: Gas-phase energies (and more) (Sun Jan 28 2007 - 12:48:13 CST)
  • Re: AMBER: error when compiling Moilview (Thu Jan 25 2007 - 11:34:26 CST)
  • Re: AMBER: error when compiling Moilview (Thu Jan 25 2007 - 06:24:53 CST)
  • Re: AMBER: Molecular dynamic issues (Tue Jan 23 2007 - 08:54:24 CST)
  • Re: AMBER: issues with restrt file (Thu Jan 18 2007 - 12:30:01 CST)
  • Re: AMBER: issues with restrt file (Thu Jan 18 2007 - 12:02:48 CST)
  • Re: AMBER: issues with restrt file (Thu Jan 18 2007 - 11:07:35 CST)
  • Re: AMBER: error when using sander.LES: exceeded MAXLES (Thu Jan 18 2007 - 11:03:08 CST)
  • Re: AMBER: sanger (Thu Jan 18 2007 - 08:09:31 CST)
  • Re: AMBER: Simulations with GB models (Thu Jan 11 2007 - 12:28:16 CST)
  • Re: AMBER: explicit implicit solvent (Wed Jan 10 2007 - 08:53:53 CST)
  • Re: AMBER: Simulation of a charged system (Fri Jan 05 2007 - 17:41:02 CST)
  • Re: AMBER: The unperturbed charge of the unit: -20.999999 is not zero. (Thu Jan 04 2007 - 13:31:29 CST)
  • Re: AMBER: AMBER citation questions (Thu Jan 04 2007 - 05:36:28 CST)
• Catein Catherine
  • Re: AMBER: DNA structure analysis (Wed Jan 17 2007 - 10:23:08 CST)
  • Re: AMBER: DNA structure analysis (Wed Jan 17 2007 - 10:24:16 CST)
  • AMBER: DNA structure analysis (Tue Jan 16 2007 - 21:12:42 CST)
• Cenk Andac
  • Re: AMBER: organic solvent : hexan octan (Wed Jan 24 2007 - 13:37:12 CST)
  • Re: AMBER: organic solvent : hexan octan (Wed Jan 24 2007 - 12:18:19 CST)
  • AMBER: Problem with installation of the leap module of AMBER9 on Linux Suse 10.2 (Tue Jan 23 2007 - 06:03:37 CST)
• Chengwen Chen
  • AMBER: some questions about minimization and MD of DNA duplex with sander (Wed Jan 31 2007 - 01:44:13 CST)
  • AMBER: deformation of DNA duplex after MD simulation (AMBER9) (Sat Jan 20 2007 - 22:28:59 CST)
  • Re: AMBER: The convergence criteria for the energy minimization of the DNA molecule (dodecmer duplux) (Sat Jan 20 2007 - 21:55:46 CST)
  • AMBER: The convergence criteria for the energy minimization of the DNA molecule (dodecmer duplux) (Fri Jan 19 2007 - 03:37:53 CST)
  • Re: AMBER: AMBER complile problem (Mon Jan 01 2007 - 21:19:08 CST)
• Chris Moth
  • Re: AMBER: ADDIONS do not neutralize to ZERO (Mon Jan 29 2007 - 15:30:20 CST)
  • Re: AMBER: amber 9 (Thu Jan 11 2007 - 13:43:27 CST)
  • AMBER: CYX residue missing from Amber 9 ff03ua (?) (Thu Jan 11 2007 - 13:32:04 CST)
• Chupakhin Vladimir
  • Re: AMBER: xleap (Tue Jan 30 2007 - 04:55:40 CST)
  • Re: AMBER: Molecular dynamic issues (Tue Jan 23 2007 - 08:50:56 CST)
  • Re: AMBER: sanger (Thu Jan 18 2007 - 08:05:01 CST)
• David A. Case
  • Re: AMBER: Charges in TI calculations and leap (Tue Jan 30 2007 - 15:24:33 CST)
  • Re: AMBER: Gas-phase energies (and more) (Sun Jan 28 2007 - 20:23:29 CST)
  • Re: AMBER: Improper angle by Antechamber (Sun Jan 28 2007 - 20:20:26 CST)
  • Re: AMBER: amber9 parralel compiling (Sat Jan 27 2007 - 13:28:27 CST)
  • Re: AMBER: LJ potential (Sat Jan 27 2007 - 12:03:15 CST)
  • Re: AMBER: NVT/NPT equilibration issue in GPCR-membrane simulation (Fri Jan 26 2007 - 19:45:51 CST)
  • Re: AMBER: pmemd install error (Fri Jan 26 2007 - 17:45:14 CST)
  • Re: AMBER: amber9 parralel compiling (Fri Jan 26 2007 - 17:45:25 CST)
  • Re: AMBER: improper dihedral (Fri Jan 26 2007 - 10:09:55 CST)
  • Re: AMBER: coordinates ****** (Thu Jan 25 2007 - 14:08:52 CST)
  • Re: AMBER: nuc.in file (Thu Jan 25 2007 - 13:59:12 CST)
  • Re: AMBER: PB Bomb in pb_aaradi(): No radius assigned for atom 4474 F3 f (Wed Jan 24 2007 - 09:14:24 CST)
  • Re: AMBER: Problem with installation of the leap module of AMBER9 on Linux Suse 10.2 (Wed Jan 24 2007 - 09:09:36 CST)
  • Re: AMBER: minimization using fcap (Wed Jan 24 2007 - 09:05:20 CST)
  • Re: AMBER: Defining BOX INFO during TLEAP (Wed Jan 24 2007 - 09:04:24 CST)
  • Re: AMBER: problem with distance restraints (Mon Jan 22 2007 - 17:41:50 CST)
  • Re: AMBER: problem with distance restraints (Mon Jan 22 2007 - 14:10:12 CST)
  • Re: AMBER: equilibration with amber5, production of MD with amber7 (Sun Jan 21 2007 - 23:28:46 CST)
  • Re: AMBER: Radii for water hydrogens are different (Fri Jan 19 2007 - 12:13:41 CST)
  • Re: AMBER: The convergence criteria for the energy minimization of the DNA molecule (dodecmer duplux) (Fri Jan 19 2007 - 10:36:34 CST)
  • Re: AMBER: perturbed atoms are not bonded on using TIP5P wate (Thu Jan 18 2007 - 11:40:37 CST)
  • Re: AMBER: error when using sander.LES: exceeded MAXLES (Thu Jan 18 2007 - 11:12:23 CST)
  • Re: AMBER: sanger (Thu Jan 18 2007 - 11:05:34 CST)
  • Re: AMBER: vdW parameters for chlorine atom (Wed Jan 17 2007 - 19:55:15 CST)
  • Re: AMBER: Drug bound to the protein (Wed Jan 17 2007 - 10:57:02 CST)
  • Re: AMBER: How are water molecules at cutoff being treated? (Tue Jan 16 2007 - 17:36:07 CST)
  • Re: AMBER: calcium parameter for GB (Tue Jan 16 2007 - 17:33:43 CST)
  • Re: AMBER: perturbed atoms are not bonded on using TIP5P water (Mon Jan 15 2007 - 20:23:17 CST)
  • Re: AMBER: problem compiling Amber 7 (Mon Jan 15 2007 - 11:38:26 CST)
  • Re: AMBER: perturbed atoms are not bonded on using TIP5P water (Sun Jan 14 2007 - 11:39:13 CST)
  • Re: AMBER: solvation of protein using TIP3PBOX in amber 8 (Sat Jan 13 2007 - 23:40:46 CST)
  • Re: AMBER: output (Sat Jan 13 2007 - 23:38:24 CST)
  • Re: AMBER: perturbed atoms are not bonded on using TIP5P water (Thu Jan 11 2007 - 16:12:23 CST)
  • Re: AMBER: amber 9 (Thu Jan 11 2007 - 13:21:09 CST)
  • Re: AMBER: Section missing from AMBER 9 manual? (Wed Jan 10 2007 - 15:02:12 CST)
  • Re: AMBER: Hydrogen in a phosphate ion (Tue Jan 09 2007 - 13:46:43 CST)
  • Re: AMBER: How to change the force field equation in amber by programming... (Mon Jan 08 2007 - 17:00:10 CST)
  • Re: AMBER: question about the testing of AMBER9 (Fri Jan 05 2007 - 22:54:53 CST)
  • Re: AMBER: How to change the force field equation in amber by programming... (Fri Jan 05 2007 - 15:34:41 CST)
  • Re: AMBER: How to get a periodic box of modified water molecules (Thu Jan 04 2007 - 00:04:10 CST)
  • Re: AMBER: amber9 installation error (Wed Jan 03 2007 - 20:05:35 CST)
  • Re: AMBER: installing amber 8 on 5 nodes cluster PC (Wed Jan 03 2007 - 11:26:17 CST)
  • Re: AMBER: torsion angle penalty calculation (Wed Jan 03 2007 - 10:54:33 CST)
  • Re: AMBER: amber9 installation error (Wed Jan 03 2007 - 01:00:50 CST)
  • Re: AMBER: problems trying to modify Amber8 (Tue Jan 02 2007 - 17:53:36 CST)
  • Re: AMBER: Distance Restraints Problem (Tue Jan 02 2007 - 17:37:18 CST)
• David Cerutti
  • AMBER: I need some constant pressure MD help (Tue Jan 30 2007 - 22:39:06 CST)
• David Mobley
  • Re: AMBER: Ligand-Protein Distance Restraints during MD Simulation (Tue Jan 30 2007 - 11:16:19 CST)
• deepti nayar
  • AMBER: xleap (Tue Jan 30 2007 - 04:40:10 CST)
  • AMBER: nuc.in file (Tue Jan 23 2007 - 02:21:27 CST)
  • AMBER: sanger (Thu Jan 18 2007 - 05:29:19 CST)
• Ed Pate
  • Re: AMBER: problem with distance restraints (Mon Jan 22 2007 - 16:29:15 CST)
  • AMBER: problem with distance restraints (Mon Jan 22 2007 - 13:43:58 CST)
  • AMBER: improper torsions (Mon Jan 08 2007 - 13:08:36 CST)
• emilia wu
  • Re: RE: RE: RE: AMBER: PB Bomb in pb_aaradi(): No radius assigned for atom 4474 F3 f (Mon Jan 22 2007 - 20:45:46 CST)
  • Re: RE: RE: AMBER: PB Bomb in pb_aaradi(): No radius assigned for atom 4474 F3 f (Mon Jan 22 2007 - 18:22:39 CST)
  • Re: RE: RE: AMBER: PB Bomb in pb_aaradi(): No radius assigned for atom 4474 F3 f (Sun Jan 21 2007 - 19:42:18 CST)
  • Re: RE: AMBER: PB Bomb in pb_aaradi(): No radius assigned for atom 4474 F3 f (Fri Jan 19 2007 - 19:54:27 CST)
  • AMBER: PB Bomb in pb_aaradi(): No radius assigned for atom 4474 F3 f (Fri Jan 19 2007 - 07:15:56 CST)
• emine cebe
  • AMBER: united atom parameters for -NH2 and -OH groups (Mon Jan 22 2007 - 13:47:12 CST)
• Esther Brugger
  • AMBER: Ptraj: watershell and distance (Tue Jan 30 2007 - 15:26:17 CST)
  • Re: AMBER: radius of gyration (Mon Jan 29 2007 - 16:27:34 CST)
  • Re: AMBER: radius of gyration (Mon Jan 29 2007 - 15:06:00 CST)
  • Re: AMBER: radius of gyration (Mon Jan 29 2007 - 09:51:26 CST)
  • AMBER: radius of gyration (Fri Jan 26 2007 - 14:17:37 CST)
  • Re: AMBER: dihedral angle by Ptraj (Wed Jan 24 2007 - 11:08:15 CST)
  • Re: AMBER: dihedral angle by Ptraj (Wed Jan 24 2007 - 10:02:38 CST)
  • Re: AMBER: dihedral angle by Ptraj (Tue Jan 23 2007 - 17:02:00 CST)
  • AMBER: dihedral angle by Ptraj (Tue Jan 23 2007 - 12:24:42 CST)
  • Re: AMBER: Distance Restraints (Fri Jan 05 2007 - 09:17:38 CST)
  • Re: Re : AMBER: intra-molecular h-bonds in ptraj (Fri Jan 05 2007 - 09:11:43 CST)
  • Re: AMBER: Distance Restraints (Wed Jan 03 2007 - 16:04:03 CST)
  • AMBER: Distance Restraints (Wed Jan 03 2007 - 14:29:26 CST)
  • AMBER: Distance Restraints Problem (Tue Jan 02 2007 - 16:00:16 CST)
• Evan Kelly
  • AMBER: test submission through PBS queue (Wed Jan 10 2007 - 13:20:45 CST)
• Fenghui Fan
  • Re: AMBER: DNA structure analysis (Wed Jan 17 2007 - 09:31:00 CST)
  • Re: AMBER: improper torsions (Mon Jan 08 2007 - 13:45:09 CST)
  • Re: AMBER: enzyme kinetics in silico (Thu Jan 04 2007 - 15:34:41 CST)
• FyD
  • Re: AMBER: organic solvent : hexan octan (Wed Jan 24 2007 - 22:50:33 CST)
  • Re: AMBER: Antechamber esp calculation (Tue Jan 23 2007 - 00:05:46 CST)
  • Re: AMBER: HF/6-31G* ESP Charges do not match with ff02 charges (Fri Jan 19 2007 - 14:30:43 CST)
  • AMBER: Dihedral FF parameters (Fri Jan 19 2007 - 09:40:10 CST)
  • Re: AMBER: RESP Charges for Charged Carboxylate in Organic Ligand (Fri Jan 19 2007 - 07:19:17 CST)
  • Re: AMBER: HF/6-31G* ESP Charges do not match with ff02 charges (Fri Jan 19 2007 - 02:31:46 CST)
  • Re: AMBER: RESP charges for charged species (Tue Jan 16 2007 - 23:13:51 CST)
• Giulio Rastelli
  • AMBER: entropy units (Mon Jan 08 2007 - 04:33:19 CST)
• Gobind Singh Bisht
  • AMBER: format of .xyz files and pdb (Wed Jan 31 2007 - 16:05:24 CST)
  • Re: AMBER: How to change the force field equation in amber by programming... (Sun Jan 07 2007 - 08:06:06 CST)
  • AMBER: How to change the force field equation in amber by programming... (Fri Jan 05 2007 - 13:55:22 CST)
• Guillaume Bollot
  • AMBER: Amber 8.0 : how to represent EPS with VMD? (Fri Jan 12 2007 - 08:49:28 CST)
• Guillermo Mulliert Carlín
  • Re: AMBER: Drug bound to the protein (Wed Jan 17 2007 - 09:27:45 CST)
• Gustavo Seabra
  • Re: AMBER: xleap (Tue Jan 30 2007 - 09:57:11 CST)
  • Re: AMBER: Fwd: a request (Tue Jan 30 2007 - 09:53:33 CST)
  • Re: AMBER: Fwd: a request (Mon Jan 29 2007 - 11:24:12 CST)
  • Re: AMBER: Fwd: a request (Sat Jan 27 2007 - 22:52:08 CST)
  • Re: AMBER: Fwd: a request (Thu Jan 25 2007 - 09:49:49 CST)
  • Re: AMBER: error when compiling Moilview (Thu Jan 25 2007 - 09:50:57 CST)
  • Re: AMBER: Fwd: a request (Thu Jan 25 2007 - 06:44:58 CST)
  • Re: AMBER: organic solvent : hexan octan (Wed Jan 24 2007 - 13:12:40 CST)
  • Re: AMBER: Fatal error: Command failed for target `test.sander.no_lmod' (Tue Jan 23 2007 - 10:54:09 CST)
  • Re: AMBER: Installation help - SGI Altix 350 (Wed Jan 10 2007 - 10:07:26 CST)
• Ilyas Yildirim
  • Re: AMBER: Charges in TI calculations and leap (Tue Jan 30 2007 - 13:48:00 CST)
  • Re: AMBER: Antechamber esp calculation (Tue Jan 23 2007 - 00:07:31 CST)
• Jardas sucuriba
  • AMBER: mm_pbsa problems (Tue Jan 30 2007 - 09:55:00 CST)
  • AMBER: fluctuations (Tue Jan 02 2007 - 09:21:22 CST)
• Jason K
  • Re: AMBER: Gas-phase energies (and more) (Fri Jan 26 2007 - 15:36:25 CST)
  • AMBER: Gas-phase energies (and more) (Thu Jan 25 2007 - 17:04:16 CST)
• Jennie Thomas
  • AMBER: NH3 potential (Wed Jan 03 2007 - 15:00:28 CST)
• Ji-Lai Li
  • Re: AMBER: pmemd install error (Sun Jan 28 2007 - 21:18:05 CST)
  • AMBER: evaluate expression (Wed Jan 24 2007 - 22:14:11 CST)
  • Re: AMBER: calcium parameter for GB (Tue Jan 23 2007 - 20:07:21 CST)
  • AMBER: Re: pmemd install error (Tue Jan 23 2007 - 01:03:33 CST)
  • AMBER: pmemd install error (Tue Jan 23 2007 - 00:59:27 CST)
  • Re: AMBER: calcium parameter for GB (Wed Jan 17 2007 - 19:25:20 CST)
  • Re: AMBER: calcium parameter for GB (Wed Jan 17 2007 - 02:19:09 CST)
  • AMBER: explicit implicit solvent (Wed Jan 10 2007 - 08:24:20 CST)
• Jianyin Shao
  • Re: AMBER: intra-molecular h-bonds in ptraj (Thu Jan 04 2007 - 14:11:36 CST)
  • Re: AMBER: H-bond in ptraj (Thu Jan 04 2007 - 13:49:38 CST)
• Jiapu.Zhang_at_csiro.au
  • RE: AMBER: Why there is a gap or jump if continue ntt=3 or ntt=1 (Mon Jan 29 2007 - 16:08:26 CST)
  • AMBER: Why there is a gap or jump if continue ntt=3 or ntt=1 (Mon Jan 29 2007 - 00:04:34 CST)
• Jiri Sponer
  • Re: AMBER: DNA structure analysis (Wed Jan 17 2007 - 04:39:36 CST)
• jitrayut jitonnom
  • AMBER: Can't run decompose energy in MM-PBSA (Mon Jan 22 2007 - 08:20:51 CST)
  • Fwd: AMBER: Can't run Normal Mode Analysis !!! (Mon Jan 22 2007 - 06:58:24 CST)
  • AMBER: MM-PBSA problem: Why (Sun Jan 21 2007 - 23:20:38 CST)
  • AMBER: Can't run Normal Mode Analysis !!! (Sun Jan 21 2007 - 23:09:48 CST)
• Junmei Wang
  • RE: AMBER: Antechamber Charge Calculation Method (Mon Jan 29 2007 - 20:48:17 CST)
  • RE: AMBER: gaussian output to prepin problem (Mon Jan 29 2007 - 20:43:56 CST)
• Kailee
  • AMBER: questions about analysing LES results (Tue Jan 30 2007 - 11:00:40 CST)
  • Re: AMBER: error when compiling Moilview (Thu Jan 25 2007 - 10:12:09 CST)
  • Re: AMBER: error when compiling Moilview (Thu Jan 25 2007 - 07:03:07 CST)
  • AMBER: error when compiling Moilview (Thu Jan 25 2007 - 05:31:24 CST)
  • AMBER: error when using sander.LES: exceeded MAXLES (Thu Jan 18 2007 - 10:33:18 CST)
• kepa koldo burusco
  • AMBER: about coordinates ****** and diffusion (Sun Jan 28 2007 - 11:15:57 CST)
  • AMBER: coordinates ****** (Tue Jan 23 2007 - 10:19:54 CST)
• Kevin Cahill
  • AMBER: problem compiling Amber 7 (Sun Jan 14 2007 - 20:35:00 CST)
• Kevin Kelliher
  • AMBER: Is there a pmemd machine file for OSX Intel (Fri Jan 26 2007 - 15:50:29 CST)
  • Re: AMBER: G5 OSX serial compile error (Fri Jan 05 2007 - 12:58:56 CST)
• khn _
  • AMBER: nonpolar solvation energy (Wed Jan 31 2007 - 10:33:55 CST)
  • AMBER: ptraj (Wed Jan 31 2007 - 10:26:00 CST)
  • AMBER: convert pdb files to restart files (Tue Jan 16 2007 - 04:50:47 CST)
  • AMBER: output (Sat Jan 13 2007 - 22:24:11 CST)
• Kijeong Kwac
  • AMBER: Simulation of a charged system (Fri Jan 05 2007 - 17:08:42 CST)
• Knut Langsetmo
  • Re: AMBER: solaris 10 and compilers on X86_64 hardware (Wed Jan 17 2007 - 10:03:33 CST)
• Li Su
  • Re: AMBER: Does amber use water density around 1 at room temperature (Wed Jan 24 2007 - 16:44:40 CST)
  • AMBER: Does amber use water density around 1 at room temperature (Tue Jan 23 2007 - 16:07:20 CST)
  • AMBER: How are water molecules at cutoff being treated? (Tue Jan 16 2007 - 16:48:47 CST)
  • AMBER: How to get a periodic box of modified water molecules (Wed Jan 03 2007 - 11:25:11 CST)
• lily ferreira
  • Re : AMBER: intra-molecular h-bonds in ptraj (Fri Jan 05 2007 - 07:37:52 CST)
  • AMBER: intra-molecular h-bonds in ptraj (Thu Jan 04 2007 - 09:17:37 CST)
• lishan yao
  • AMBER: improper dihedral (Fri Jan 26 2007 - 08:42:15 CST)
• M. L. Dodson
  • AMBER: solaris 10 and compilers on X86_64 hardware (Wed Jan 17 2007 - 09:45:27 CST)
• mahdi fathi
  • AMBER: (no subject) (Thu Jan 18 2007 - 04:10:24 CST)
• Mark Williamson
  • Re: AMBER: question about the testing of AMBER9 (Mon Jan 08 2007 - 15:10:53 CST)
  • Re: AMBER: question about the testing of AMBER9 (Mon Jan 08 2007 - 03:36:55 CST)
  • Re: AMBER: question about the testing of AMBER9 (Sun Jan 07 2007 - 17:36:28 CST)
• mathew k varghese
  • RE: AMBER: MM-PBSA doubt (Mon Jan 29 2007 - 22:22:50 CST)
  • AMBER: MM-PBSA doubt (Mon Jan 29 2007 - 20:12:44 CST)
  • AMBER: Antechamber esp calculation (Mon Jan 22 2007 - 22:44:42 CST)
• Mengjuei Hsieh
  • Re: AMBER: G5 OSX serial compile error (Mon Jan 08 2007 - 18:26:26 CST)
  • Re: AMBER: G5 OSX serial compile error (Mon Jan 01 2007 - 04:16:12 CST)
• mernst_at_tricity.wsu.edu
  • Re: AMBER: HF/6-31G* ESP Charges do not match with ff02 charges (Fri Jan 19 2007 - 12:59:52 CST)
  • Re: AMBER: HF/6-31G* ESP Charges do not match with ff02 charges (Fri Jan 19 2007 - 01:02:10 CST)
• Michel Becker
  • AMBER: RESP charges for charged species (Tue Jan 16 2007 - 15:44:26 CST)
  • AMBER: How many steps should be used for a MD calculation? (Tue Jan 09 2007 - 03:12:55 CST)
• Mike Hanby
  • AMBER: Preprocessor Error: _qmmm_module.f "Extra Characters..." (Wed Jan 03 2007 - 16:53:43 CST)
• Mike Summers
  • Re: AMBER: MPI is slower than single processor with water (Tue Jan 16 2007 - 11:32:53 CST)
  • AMBER: MPI is slower than single processor with water (Tue Jan 16 2007 - 10:30:18 CST)
  • Re: AMBER: torsion angle penalty calculationy (Wed Jan 03 2007 - 12:13:24 CST)
  • AMBER: torsion angle penalty calculation (Wed Jan 03 2007 - 09:18:34 CST)
• Miyeegombo Enkhbold
  • AMBER: yet another SANDER bug? (Sat Jan 27 2007 - 21:11:22 CST)
• Muhammad Naim Mohmad Rouyan
  • AMBER: Fatal error: Command failed for target `test.sander.no_lmod' (Tue Jan 23 2007 - 19:26:45 CST)
  • AMBER: Fatal error: Command failed for target `test.sander.no_lmod' (Tue Jan 23 2007 - 03:50:58 CST)
• nag raj
  • AMBER: H-bond in each fram (Sun Jan 07 2007 - 23:49:57 CST)
  • Re: AMBER: H-bond in ptraj (Sat Jan 06 2007 - 01:22:10 CST)
  • Re: AMBER: H-bond in ptraj (Thu Jan 04 2007 - 22:34:59 CST)
  • AMBER: H-acceptors problem in ptraj (Wed Jan 03 2007 - 23:20:09 CST)
  • AMBER: H-bond in ptraj (Wed Jan 03 2007 - 06:17:51 CST)
• Navnit Kumar Mishra
  • Re: AMBER: xleap (Tue Jan 30 2007 - 05:53:11 CST)
• Nitin Bhardwaj
  • AMBER: Hydrogen in a phosphate ion (Fri Jan 05 2007 - 16:00:09 CST)
  • Fwd: AMBER: Atoms overlapping (Thu Jan 04 2007 - 18:58:26 CST)
  • Re: AMBER: The unperturbed charge of the unit: -20.999999 is not zero. (Thu Jan 04 2007 - 09:54:39 CST)
• Nursultan Bogatov
  • AMBER: another sander bug? (Fri Jan 26 2007 - 00:43:13 CST)
  • AMBER: sander bug? (Thu Jan 25 2007 - 20:28:53 CST)
• Pavan G
  • Re: AMBER: Ptraj: watershell and distance (Tue Jan 30 2007 - 16:01:07 CST)
  • Fwd: AMBER: Improper angle by Antechamber (Tue Jan 30 2007 - 12:46:34 CST)
  • AMBER: Improper angle by Antechamber (Sun Jan 28 2007 - 11:28:29 CST)
  • Re: AMBER: HF/6-31G* ESP Charges do not match with ff02 charges (Sun Jan 28 2007 - 09:45:32 CST)
  • AMBER: HF/6-31G* ESP Charges do not match with ff02 charges (Fri Jan 19 2007 - 00:19:19 CST)
• Perdita Barran
  • AMBER: unsubscribe (Sun Jan 07 2007 - 12:13:40 CST)
• Petr Kulhanek
  • Re: AMBER: image command (Wed Jan 10 2007 - 02:45:45 CST)
• puneet kacker
  • AMBER: Drug Leads interaction with ds and Triplex DNA (Wed Jan 24 2007 - 23:28:41 CST)
• Qing Zhang
  • Re: AMBER: calcium parameter for GB (Wed Jan 24 2007 - 11:33:24 CST)
  • Re: AMBER: calcium parameter for GB (Tue Jan 23 2007 - 12:49:54 CST)
  • Re: AMBER: calcium parameter for GB (Wed Jan 17 2007 - 11:06:36 CST)
• Ray Luo
  • RE: AMBER: nonpolar solvation energy (Wed Jan 31 2007 - 13:37:34 CST)
  • RE: AMBER: MM-PBSA doubt (Mon Jan 29 2007 - 23:29:01 CST)
  • RE: AMBER: MM-PBSA doubt (Mon Jan 29 2007 - 22:04:52 CST)
  • RE: AMBER: PB Bomb in pb_aaradi(): No radius assigned for atom 4474 F3 f (Tue Jan 23 2007 - 12:43:23 CST)
  • RE: RE: RE: AMBER: PB Bomb in pb_aaradi(): No radius assigned for atom 4474 F3 f (Mon Jan 22 2007 - 20:35:06 CST)
  • RE: AMBER: Can't run decompose energy in MM-PBSA (Mon Jan 22 2007 - 11:27:03 CST)
  • RE: RE: AMBER: PB Bomb in pb_aaradi(): No radius assigned for atom 4474 F3 f (Sat Jan 20 2007 - 12:45:36 CST)
  • RE: AMBER: PB Bomb in pb_aaradi(): No radius assigned for atom 4474 F3 f (Fri Jan 19 2007 - 11:50:19 CST)
  • RE: AMBER: CYX residue missing from Amber 9 ff03ua (?) (Thu Jan 11 2007 - 16:59:29 CST)
• rebeca_at_mmb.pcb.ub.es
  • AMBER: experimental phi-values as restraints (Wed Jan 10 2007 - 10:06:11 CST)
• Rima Chaudhuri
  • AMBER: gaussian output to prepin problem (Mon Jan 29 2007 - 11:14:31 CST)
• Robert Duke
  • Re: AMBER: pmemd install error (Tue Jan 30 2007 - 14:24:19 CST)
  • Re: AMBER: pmemd install error (Tue Jan 23 2007 - 07:01:46 CST)
  • Re: AMBER: About the problem of the PMEMD and cutoff (Mon Jan 15 2007 - 07:19:26 CST)
  • Re: AMBER: About the problem of the PMEMD and cutoff (Sun Jan 14 2007 - 22:20:22 CST)
• Ross Walker
  • RE: AMBER: some questions about minimization and MD of DNA duplex with sander (Wed Jan 31 2007 - 10:36:27 CST)
  • RE: AMBER: I need some constant pressure MD help (Tue Jan 30 2007 - 23:47:38 CST)
  • AMBER: Including Relevant Subject Lines (Tue Jan 30 2007 - 10:43:59 CST)
  • RE: AMBER: Why there is a gap or jump if continue ntt=3 or ntt=1 (Mon Jan 29 2007 - 00:16:32 CST)
  • RE: AMBER: ADDIONS do not neutralize to ZERO (Sun Jan 28 2007 - 22:38:25 CST)
  • RE: AMBER: about coordinates ****** and diffusion (Sun Jan 28 2007 - 11:28:30 CST)
  • RE: AMBER: yet another SANDER bug? (Sat Jan 27 2007 - 22:18:24 CST)
  • RE: AMBER: NVT/NPT equilibration issue in GPCR-membrane simulation (Fri Jan 26 2007 - 17:11:06 CST)
  • RE: AMBER: another sander bug? (Fri Jan 26 2007 - 01:50:39 CST)
  • RE: AMBER: sander bug? (Fri Jan 26 2007 - 01:26:55 CST)
  • RE: AMBER: Defining BOX INFO during TLEAP (Wed Jan 24 2007 - 14:09:30 CST)
  • AMBER: RE: a request (Wed Jan 24 2007 - 11:57:32 CST)
  • RE: AMBER: Problem with installation of the leap module of AMBER9 on Linux Suse 10.2 (Wed Jan 24 2007 - 11:49:20 CST)
  • RE: AMBER: Unable to compile amber9 (Wed Jan 24 2007 - 09:48:41 CST)
  • RE: AMBER: Does amber use water density around 1 at room temperature (Tue Jan 23 2007 - 17:11:41 CST)
  • RE: AMBER: (Fri Jan 19 2007 - 14:47:24 CST)
  • RE: AMBER: MPI is slower than single processor with water (Tue Jan 16 2007 - 10:50:36 CST)
  • AMBER: RE: help (Tue Jan 16 2007 - 10:23:44 CST)
  • RE: AMBER: convert pdb files to restart files (Tue Jan 16 2007 - 09:19:54 CST)
  • RE: AMBER: sander crashes during minimization (Wed Jan 10 2007 - 13:40:05 CST)
  • RE: AMBER: test submission through PBS queue (Wed Jan 10 2007 - 13:35:27 CST)
  • RE: AMBER: amber 9 (Wed Jan 10 2007 - 12:11:44 CST)
  • RE: AMBER: (Wed Jan 10 2007 - 11:17:11 CST)
  • RE: AMBER: amber 9 (Tue Jan 09 2007 - 10:31:36 CST)
  • RE: AMBER: Installation help - SGI Altix 350 (Tue Jan 09 2007 - 10:18:55 CST)
  • RE: AMBER: question about the testing of AMBER9 (Mon Jan 08 2007 - 13:52:55 CST)
  • RE: AMBER: How to do minimization.. (Mon Jan 08 2007 - 10:32:09 CST)
  • RE: AMBER: question about the testing of AMBER9 (Sat Jan 06 2007 - 17:37:06 CST)
  • RE: AMBER: Preprocessor Error: _qmmm_module.f "Extra Characters..." (Wed Jan 03 2007 - 17:34:23 CST)
  • RE: AMBER: Deep energetics problem (Tue Jan 02 2007 - 13:12:53 CST)
• sai vikram
  • AMBER: How to do minimization.. (Mon Jan 08 2007 - 09:30:59 CST)
  • Re: AMBER: Deep energetics problem (Wed Jan 03 2007 - 02:26:42 CST)
  • AMBER: Deep energetics problem (Tue Jan 02 2007 - 11:10:19 CST)
• santanu roy
  • Re: AMBER: Fwd: a request (Tue Jan 30 2007 - 04:04:46 CST)
  • Re: AMBER: Fwd: a request (Mon Jan 29 2007 - 00:43:53 CST)
  • Re: AMBER: Fwd: a request (Sat Jan 27 2007 - 00:34:15 CST)
  • Re: AMBER: Fwd: a request (Thu Jan 25 2007 - 07:15:08 CST)
  • AMBER: Fwd: a request (Thu Jan 25 2007 - 02:55:32 CST)
• saurabh agrawal
  • RE: AMBER: ADDIONS do not neutralize to ZERO (Sun Jan 28 2007 - 22:07:37 CST)
  • AMBER: WARNING: Missing VDWNB for MM in 1 -> Taken from 0 (Thu Jan 18 2007 - 11:15:40 CST)
  • AMBER: vertex atom mismatch (Thu Jan 18 2007 - 01:49:25 CST)
  • AMBER: 22 improper torsions in old prep form (Fri Jan 05 2007 - 00:29:21 CST)
  • AMBER: The unperturbed charge of the unit: -20.999999 is not zero. (Thu Jan 04 2007 - 01:03:49 CST)
• Scott Brozell
  • RE: AMBER: Leap adding extra atoms (Mon Jan 15 2007 - 15:30:00 CST)
  • RE: AMBER: Leap adding extra atoms (Mon Jan 15 2007 - 14:39:49 CST)
  • Re: AMBER: problem compiling Amber 7 (Mon Jan 15 2007 - 11:29:10 CST)
  • Re: AMBER: test submission through PBS queue (Wed Jan 10 2007 - 13:33:09 CST)
• Scott Pendley
  • Re: AMBER: mm_pbsa Array reference error (Wed Jan 31 2007 - 11:48:36 CST)
  • Re: AMBER: Can't run Normal Mode Analysis !!! (Mon Jan 22 2007 - 11:05:26 CST)
• Seaclear Theory
  • Re: AMBER: amber9 parralel compiling (Sat Jan 27 2007 - 17:16:19 CST)
  • Re: AMBER: amber9 parralel compiling (Sat Jan 27 2007 - 12:59:23 CST)
  • AMBER: amber parallel compile error with g95 (Fri Jan 26 2007 - 13:00:52 CST)
  • Re: AMBER: amber9 parralel compiling (Fri Jan 26 2007 - 12:55:43 CST)
  • Re: AMBER: amber9 parralel compiling (Thu Jan 25 2007 - 20:15:05 CST)
  • Re: AMBER: amber9 installation error (Thu Jan 04 2007 - 15:27:14 CST)
  • Re: AMBER: amber9 installation error (Wed Jan 03 2007 - 22:34:49 CST)
  • Re: AMBER: amber9 installation error (Wed Jan 03 2007 - 12:04:27 CST)
  • Re: AMBER: amber9 installation error (Wed Jan 03 2007 - 09:55:51 CST)
  • AMBER: amber9 installation error (Tue Jan 02 2007 - 20:10:12 CST)
• Sean Rathlef
  • AMBER: enzyme kinetics in silico (Thu Jan 04 2007 - 11:24:46 CST)
• Sergey Samsonov
  • AMBER: MM-PSBA decoupling (Wed Jan 24 2007 - 07:03:24 CST)
• Seth Lilavivat
  • AMBER: sander crashes during minimization (Wed Jan 10 2007 - 13:29:15 CST)
• Shaoqing.Zhang_at_mail.uh.edu
  • Re: AMBER: question about the testing of AMBER9 (Mon Jan 08 2007 - 15:56:44 CST)
  • Re: AMBER: question about the testing of AMBER9 (Mon Jan 08 2007 - 11:06:18 CST)
  • Re: AMBER: question about the testing of AMBER9 (Sun Jan 07 2007 - 19:18:05 CST)
  • Re: RE: AMBER: question about the testing of AMBER9 (Sun Jan 07 2007 - 15:25:39 CST)
  • Re: AMBER: question about the testing of AMBER9 (Sat Jan 06 2007 - 17:07:04 CST)
  • AMBER: question about the testing of AMBER9 (Fri Jan 05 2007 - 20:25:16 CST)
• Sophie Barbe
  • Re: AMBER: organic solvent : hexan octan (Wed Jan 24 2007 - 12:28:38 CST)
  • AMBER: organic solvent : hexan octan (Wed Jan 24 2007 - 11:38:50 CST)
  • AMBER: (no subject) (Wed Jan 24 2007 - 11:26:20 CST)
  • Re: AMBER: Molecular dynamic issues (Wed Jan 24 2007 - 08:41:19 CST)
  • AMBER: Molecular dynamic issues (Tue Jan 23 2007 - 08:34:50 CST)
  • AMBER: Drug bound to the protein (Wed Jan 17 2007 - 02:56:21 CST)
  • RE: AMBER: amber 9 (Wed Jan 10 2007 - 12:28:51 CST)
  • RE: AMBER: amber 9 (Wed Jan 10 2007 - 11:54:36 CST)
  • AMBER: amber 9 (Tue Jan 09 2007 - 09:29:04 CST)
• Stefano Pieraccini
  • Re: AMBER: convert pdb files to restart files (Tue Jan 16 2007 - 06:57:41 CST)
• Steve Seibold
  • AMBER: LJ potential (Wed Jan 24 2007 - 13:44:58 CST)
  • AMBER: (Fri Jan 19 2007 - 13:53:47 CST)
  • RE: AMBER: (Wed Jan 10 2007 - 13:03:30 CST)
  • AMBER: (Wed Jan 10 2007 - 10:46:28 CST)
• Steve Spronk
  • AMBER: Radii for water hydrogens are different (Tue Jan 16 2007 - 14:29:45 CST)
• Steven Winfield
  • Re: AMBER: format of .xyz files and pdb (Wed Jan 31 2007 - 16:20:43 CST)
  • Re: AMBER: Problem with installation of the leap module of AMBER9 on Linux Suse 10.2 (Tue Jan 23 2007 - 06:11:12 CST)
  • Re: AMBER: perturbed atoms are not bonded on using TIP5P water (Fri Jan 12 2007 - 08:07:38 CST)
  • AMBER: Section missing from AMBER 9 manual? (Wed Jan 10 2007 - 10:57:36 CST)
• sugino tatsuro
  • RE: AMBER: perturbed atoms are not bonded on using TIP5P wate (Tue Jan 16 2007 - 23:47:51 CST)
  • RE: AMBER: perturbed atoms are not bonded on using TIP5P water (Tue Jan 16 2007 - 11:35:22 CST)
  • RE: AMBER: perturbed atoms are not bonded on using TIP5P water (Mon Jan 15 2007 - 21:33:18 CST)
  • Re: AMBER: perturbed atoms are not bonded on using TIP5P water (Mon Jan 15 2007 - 21:19:59 CST)
  • Re: AMBER: perturbed atoms are not bonded on using TIP5P water (Mon Jan 15 2007 - 19:40:32 CST)
  • AMBER: problems in energy minimization using TIP5P water model (Sun Jan 14 2007 - 10:35:11 CST)
  • RE: AMBER: perturbed atoms are not bonded on using TIP5P water (Fri Jan 12 2007 - 07:58:40 CST)
  • AMBER: perturbed atoms are not bonded on using TIP5P water (Thu Jan 11 2007 - 08:12:09 CST)
• Suxin Zheng
  • Re: AMBER: enzyme kinetics in silico (Thu Jan 04 2007 - 11:54:47 CST)
• Syed Tarique Moin
  • Re: AMBER: mm_pbsa Array reference error (Wed Jan 31 2007 - 23:19:48 CST)
  • AMBER: mm_pbsa error (Wed Jan 31 2007 - 03:19:02 CST)
  • AMBER: mm_pbsa error (Wed Jan 31 2007 - 03:19:46 CST)
  • AMBER: mm_pbsa Array reference error (Sat Jan 27 2007 - 02:02:16 CST)
  • Fwd: AMBER: mm_pbsa Array reference error (Fri Jan 26 2007 - 12:54:56 CST)
  • AMBER: mm_pbsa Array reference error (Fri Jan 26 2007 - 00:21:07 CST)
  • Re: AMBER: mm_pbsa error (Fri Jan 26 2007 - 00:04:22 CST)
  • Re: AMBER: mm_pbsa error (Thu Jan 25 2007 - 04:04:36 CST)
  • AMBER: mm_pbsa error (Thu Jan 25 2007 - 01:15:29 CST)
  • AMBER: minimization using fcap (Wed Jan 24 2007 - 03:08:40 CST)
  • Fwd: Re: AMBER: solvation of protein using TIP3PBOX in amber 8 (Mon Jan 15 2007 - 23:14:12 CST)
  • Re: AMBER: solvation of protein using TIP3PBOX in amber 8 (Sun Jan 14 2007 - 03:59:32 CST)
  • AMBER: solvation of protein using TIP3PBOX in amber 8 (Sat Jan 13 2007 - 12:25:46 CST)
  • Re: AMBER: installing amber 8 on 5 nodes cluster PC (Wed Jan 03 2007 - 12:25:45 CST)
  • AMBER: installing amber 8 on 5 nodes cluster PC (Wed Jan 03 2007 - 10:44:54 CST)
• Thaison Tran
  • Re: AMBER: output (Sun Jan 14 2007 - 01:59:56 CST)
• Thomas Cheatham
  • Re: AMBER: about coordinates ****** and diffusion (Sun Jan 28 2007 - 15:09:00 CST)
  • Re: AMBER: dihedral angle by Ptraj (Tue Jan 23 2007 - 21:57:47 CST)
  • Re: AMBER: image command (Wed Jan 10 2007 - 00:25:48 CST)
  • Re: Re : AMBER: intra-molecular h-bonds in ptraj (Sun Jan 07 2007 - 22:51:29 CST)
• Thomas Cheatham III
  • Re: AMBER: ptraj (Wed Jan 31 2007 - 18:03:00 CST)
  • Re: AMBER: radius of gyration (Mon Jan 29 2007 - 15:21:20 CST)
  • Re: AMBER: dihedral angle by Ptraj (Tue Jan 23 2007 - 12:41:22 CST)
• Thomas Steinbrecher
  • Re: AMBER: Does amber use water density around 1 at room temperature (Wed Jan 24 2007 - 17:26:50 CST)
• vanessa wai
  • Re: AMBER: mm_pbsa error (Sat Jan 27 2007 - 09:02:33 CST)
  • Re: AMBER: mm_pbsa error (Thu Jan 25 2007 - 20:13:19 CST)
  • Re: AMBER: mm_pbsa error (Thu Jan 25 2007 - 01:24:43 CST)
  • Re: AMBER: Can't run decompose energy in MM-PBSA (Mon Jan 22 2007 - 19:37:02 CST)
  • Re: AMBER: MM-PBSA problem: Why (Mon Jan 22 2007 - 04:47:30 CST)
• Varsha Goyal
  • Re: AMBER: mm_pbsa error (Thu Jan 25 2007 - 10:16:31 CST)
• venditti2_at_unisi.it
  • AMBER: image command (Tue Jan 09 2007 - 08:09:07 CST)
• Vinh To
  • AMBER: Unable to compile amber9 (Wed Jan 24 2007 - 08:41:06 CST)
• Vladimir Tchoupakhine
  • Re: AMBER: (Wed Jan 10 2007 - 10:51:46 CST)
  • Re: AMBER: experimental phi-values as restraints (Wed Jan 10 2007 - 10:23:58 CST)
• Wei Chen
  • Re: AMBER: mm-pbsa, long distance free energy calculation problem (Thu Jan 18 2007 - 14:24:26 CST)
  • Re: AMBER: calcium parameter for GB (Thu Jan 18 2007 - 10:15:45 CST)
  • Re: AMBER: calcium parameter for GB (Wed Jan 17 2007 - 10:25:47 CST)
  • AMBER: calcium parameter for GB (Tue Jan 16 2007 - 17:21:08 CST)
  • AMBER: Simulations with GB models (Thu Jan 11 2007 - 10:23:15 CST)
• wendy chen
  • AMBER: a question about analysis of DNA duplex after MD simulation with curves (Sat Jan 20 2007 - 21:28:19 CST)
• xiaoqin huang
  • Re: AMBER: Re:tree name generated by tleap is different from the input PREP parameter file (Wed Jan 03 2007 - 09:05:18 CST)
  • AMBER: Re:tree name generated by tleap is different from the input PREP parameter file (Tue Jan 02 2007 - 20:41:13 CST)
  • AMBER: assign atom hybrid (Tue Jan 02 2007 - 19:54:52 CST)
• Ye Mei
  • Re: AMBER: Dihedral FF parameters (Fri Jan 19 2007 - 09:44:14 CST)
• Yong Duan
  • RE: AMBER: Gas-phase energies (and more) (Tue Jan 30 2007 - 14:32:39 CST)
  • RE: AMBER: Gas-phase energies (and more) (Sun Jan 28 2007 - 21:43:56 CST)
  • RE: AMBER: Gas-phase energies (and more) (Thu Jan 25 2007 - 17:58:48 CST)
• Yu Chen
  • RE: AMBER: MPI is slower than single processor with water (Tue Jan 16 2007 - 14:23:23 CST)
• Yusheng Dou
  • AMBER: (no subject) (Fri Jan 19 2007 - 08:51:51 CST)
  • AMBER: (no subject) (Wed Jan 17 2007 - 11:29:10 CST)
• zachary hartman
  • AMBER: Regarding energy of decomposition tutorials (Fri Jan 26 2007 - 09:29:50 CST)

Last message date: Mon Dec 31 2007 - 15:27:41 CST
Archived on: Thu Jan 10 2008 - 17:13:08 CST