Amber Archive Nov 2011 by author
834 messages
:
Starting
Mon Oct 31 2011 - 19:30:03 PDT,
Ending
Wed Nov 30 2011 - 23:00:03 PST
sort by
: [
thread
] [ author ] [
date
] [
subject
] [
attachment
]
Aditya Padhi
[AMBER] Measurement of distance between residues forming Hydrogen bond
(Tue Nov 01 2011 - 01:56:05 PDT)
Adrian Roitberg
Re: [AMBER] REMD umbrella sampling
(Tue Nov 29 2011 - 04:31:05 PST)
Re: [AMBER] QMMM SCC-DFTB: ERROR ON EWEVGE (Eigenvalue solver)
(Tue Nov 15 2011 - 09:06:44 PST)
Re: [AMBER] Calculate charges using better method/basis set?
(Mon Nov 14 2011 - 10:33:27 PST)
Re: [AMBER] Calculate charges using better method/basis set?
(Sun Nov 13 2011 - 12:55:31 PST)
Re: [AMBER] Discrepancy of GBSA results
(Sat Nov 12 2011 - 07:44:26 PST)
Re: [AMBER] RMSD of one atom
(Tue Nov 01 2011 - 10:34:43 PDT)
Alex Rodriguez
Re: [AMBER] clustering analysis in ptraj takes too long time
(Tue Nov 22 2011 - 05:08:33 PST)
Andre Serobian
Re: [AMBER] nmropt modes for GPU accelerated pmemd 11
(Thu Nov 10 2011 - 01:58:37 PST)
Andrew Voronkov
[AMBER] chlorine naming question and parametrization
(Tue Nov 29 2011 - 11:53:35 PST)
Re: [AMBER] Issue with running sander with SHAKE
(Tue Nov 29 2011 - 11:52:05 PST)
Re: [AMBER] Fwd: Issue with running sander with SHAKE
(Sun Nov 27 2011 - 11:51:25 PST)
Re: [AMBER] Fwd: Issue with running sander with SHAKE
(Sun Nov 27 2011 - 01:00:17 PST)
[AMBER] Fwd: Issue with running sander with SHAKE
(Sat Nov 26 2011 - 12:22:22 PST)
Re: [AMBER] Issue with running sander with SHAKE
(Sat Nov 26 2011 - 09:45:59 PST)
Re: [AMBER] Issue with running sander with SHAKE
(Sat Nov 26 2011 - 00:38:58 PST)
[AMBER] Fwd: problems with MCBP parametrization
(Thu Nov 24 2011 - 12:28:16 PST)
Re: [AMBER] problems with MCBP parametrization
(Mon Nov 21 2011 - 08:07:19 PST)
[AMBER] problems with MCBP parametrization
(Fri Nov 18 2011 - 06:57:39 PST)
[AMBER] dummny atoms in .prep file
(Tue Nov 15 2011 - 01:57:55 PST)
[AMBER] ZAFF parametrization problem , parameters not saved, could not find bond parameters
(Thu Nov 10 2011 - 13:21:21 PST)
Re: [AMBER] bashrc problems
(Sun Nov 06 2011 - 07:14:55 PST)
[AMBER] bashrc problems
(Fri Nov 04 2011 - 04:08:29 PDT)
Re: [AMBER] safemem.o error while compiling Ambertools 1.5
(Thu Nov 03 2011 - 02:53:42 PDT)
Anglea A.
[AMBER] Discrepancy of GBSA results
(Sat Nov 12 2011 - 07:20:23 PST)
Re: [AMBER] Minimization in sander
(Thu Nov 03 2011 - 04:45:10 PDT)
Re: [AMBER] Minimization in sander
(Wed Nov 02 2011 - 05:22:01 PDT)
[AMBER] Minimization in sander
(Wed Nov 02 2011 - 01:49:13 PDT)
arikcohen
Re: [AMBER] atom type requested that does not appear in the prep file
(Fri Nov 18 2011 - 17:01:06 PST)
[AMBER] atom type requested that does not appear in the prep file
(Fri Nov 18 2011 - 16:25:09 PST)
Asmita Gupta
[AMBER] ptraj atomic fluctuation analysis
(Tue Nov 29 2011 - 04:54:18 PST)
Atila Petrosian
Re: [AMBER] amber - TUTORIAL A9
(Wed Nov 30 2011 - 05:49:20 PST)
[AMBER] amber - TUTORIAL A9
(Tue Nov 29 2011 - 06:56:52 PST)
Baldoni Hector Armando
Re: [AMBER] bad atom type: Br
(Sun Nov 13 2011 - 08:24:18 PST)
Beale, John
[AMBER] Restarting an MD run
(Mon Nov 28 2011 - 05:56:29 PST)
Ben Roberts
Re: [AMBER] How MCPB add ligand withasmallmoleculein*_siderchain.bcl
(Tue Nov 29 2011 - 07:10:23 PST)
Re: [AMBER] How MCPB add ligand with asmallmoleculein*_siderchain.bcl
(Mon Nov 28 2011 - 15:16:47 PST)
Re: [AMBER] How MCPB add ligand with a smallmoleculein*_siderchain.bcl
(Mon Nov 28 2011 - 07:57:43 PST)
Re: [AMBER] How MCPB add ligand with a small moleculein*_siderchain.bcl
(Fri Nov 25 2011 - 07:24:51 PST)
Re: [AMBER] Fwd: problems with MCBP parametrization
(Fri Nov 25 2011 - 07:21:03 PST)
Re: [AMBER] MCPB settings file
(Tue Nov 22 2011 - 20:24:01 PST)
Re: [AMBER] How MCPB add ligand with a small molecule in*_siderchain.bcl
(Tue Nov 22 2011 - 20:11:02 PST)
Re: [AMBER] How MCPB add ligand with a small molecule in*_siderchain.bcl
(Tue Nov 22 2011 - 20:06:56 PST)
Re: [AMBER] How MCPB add ligand with a small molecule in*_siderchain.bcl
(Tue Nov 22 2011 - 20:00:42 PST)
Re: [AMBER] Can't get the correct gaussian input name afterruned*_sidechain.bcl in MCPB
(Tue Nov 22 2011 - 19:40:57 PST)
Re: [AMBER] MCPB settings file
(Fri Nov 18 2011 - 09:01:38 PST)
Re: [AMBER] How MCPB add ligand with a small molecule in *_siderchain.bcl
(Thu Nov 17 2011 - 15:26:35 PST)
Re: [AMBER] Got a mistake with 3H68_OH_large.bcl
(Thu Nov 17 2011 - 15:24:18 PST)
Re: [AMBER] large.bcl bug in MCPB
(Thu Nov 17 2011 - 15:19:48 PST)
Re: [AMBER] Phi/psi to free energies
(Thu Nov 17 2011 - 10:39:55 PST)
Re: [AMBER] MCPB settings file
(Mon Nov 14 2011 - 15:37:05 PST)
Re: [AMBER] MCPB settings file
(Mon Nov 14 2011 - 08:12:12 PST)
Re: [AMBER] bashrc problems
(Sun Nov 13 2011 - 19:53:12 PST)
Re: [AMBER] separate build and install dirs?
(Mon Nov 07 2011 - 15:18:15 PST)
Re: [AMBER] sander error
(Thu Nov 03 2011 - 15:11:30 PDT)
Re: [AMBER] sander error
(Thu Nov 03 2011 - 11:00:08 PDT)
Re: [AMBER] sander error
(Thu Nov 03 2011 - 10:50:46 PDT)
Re: [AMBER] sander error
(Thu Nov 03 2011 - 10:15:54 PDT)
Re: [AMBER] sander error
(Thu Nov 03 2011 - 08:24:18 PDT)
Benjamin D Madej
Re: [AMBER] anisotropic NPT simulation
(Sat Nov 05 2011 - 17:53:26 PDT)
Benjamin Madej
Re: [AMBER] Membrane building
(Sat Nov 19 2011 - 13:18:48 PST)
Bill Miller III
Re: [AMBER] parameters in mm/pbsa calculations
(Wed Nov 23 2011 - 05:13:21 PST)
Re: [AMBER] parameters in mm/pbsa calculations
(Wed Nov 23 2011 - 04:53:56 PST)
Re: [AMBER] entropy calculation
(Tue Nov 08 2011 - 04:13:00 PST)
Bill Ross
Re: [AMBER] Using nrespa with NPT
(Sat Nov 26 2011 - 14:46:45 PST)
Re: [AMBER] General Amber FF Parameters
(Thu Nov 24 2011 - 14:26:23 PST)
Re: [AMBER] alpha helix structure consist of Alanine
(Wed Nov 23 2011 - 11:11:00 PST)
Re: [AMBER] atom type requested that does not appear in the prep file
(Fri Nov 18 2011 - 16:57:40 PST)
Re: [AMBER] problem in solvation
(Wed Nov 09 2011 - 14:22:12 PST)
Re: [AMBER] separate build and install dirs?
(Wed Nov 09 2011 - 10:34:06 PST)
Re: [AMBER] problem in solvation
(Wed Nov 09 2011 - 08:53:10 PST)
Re: [AMBER] addles "old coordinate file not specified"
(Wed Nov 09 2011 - 08:39:17 PST)
Re: [AMBER] problem in solvation
(Wed Nov 09 2011 - 08:25:10 PST)
Re: [AMBER] problem in solvation
(Wed Nov 09 2011 - 06:37:36 PST)
Re: [AMBER] addles "old coordinate file not specified"
(Tue Nov 08 2011 - 15:15:19 PST)
Re: [AMBER] problem in solvation
(Tue Nov 08 2011 - 15:13:03 PST)
Re: [AMBER] problem in solvation
(Tue Nov 08 2011 - 15:08:30 PST)
Re: [AMBER] problem in solvation
(Tue Nov 08 2011 - 15:05:19 PST)
Re: [AMBER] problem in solvation
(Tue Nov 08 2011 - 14:29:12 PST)
Re: [AMBER] addles "old coordinate file not specified"
(Tue Nov 08 2011 - 08:42:05 PST)
Re: [AMBER] parameters for anchor-modified glycopeptides
(Mon Nov 07 2011 - 11:23:51 PST)
Re: [AMBER] using AmberTools on Desmond trajectories
(Wed Nov 02 2011 - 17:35:17 PDT)
Bill Sinko
[AMBER] CUDA NaN error occuring at "wrapping first mol"
(Wed Nov 30 2011 - 15:54:31 PST)
bin wang
Re: [AMBER] How to use strip mask and receptor mask in the new mmpbsa.py?
(Tue Nov 29 2011 - 12:43:34 PST)
[AMBER] How to use strip mask and receptor mask in the new mmpbsa.py?
(Mon Nov 21 2011 - 18:40:24 PST)
Re: [AMBER] comparison failures in the Amber11 and AT15 test
(Mon Nov 14 2011 - 11:16:56 PST)
[AMBER] comparison failures in the Amber11 and AT15 test
(Fri Nov 11 2011 - 15:20:25 PST)
Breuer, Marian
Re: [AMBER] Issue with running sander with SHAKE
(Sat Nov 05 2011 - 15:52:12 PDT)
Re: [AMBER] Issue with running sander with SHAKE
(Fri Nov 04 2011 - 10:10:48 PDT)
Re: [AMBER] Issue with running sander with SHAKE
(Tue Nov 01 2011 - 15:49:36 PDT)
Re: [AMBER] Issue with running sander with SHAKE
(Tue Nov 01 2011 - 10:37:06 PDT)
Brian Radak
Re: [AMBER] running of the sander in background in parallel state
(Mon Nov 28 2011 - 14:26:21 PST)
Re: [AMBER] ncsu_pmd and ncsu_smd
(Thu Nov 17 2011 - 06:10:59 PST)
Re: [AMBER] QMMM SCC-DFTB: ERROR ON EWEVGE (Eigenvalue solver)
(Tue Nov 15 2011 - 10:21:36 PST)
Re: [AMBER] Minimization of only certain atoms
(Tue Nov 15 2011 - 10:17:57 PST)
Re: [AMBER] "force field" vs. "potential"
(Tue Nov 15 2011 - 06:03:39 PST)
Re: [AMBER] QMMM SCC-DFTB: ERROR ON EWEVGE (Eigenvalue solver)
(Tue Nov 15 2011 - 05:49:51 PST)
Re: [AMBER] Calculate charges using better method/basis set?
(Mon Nov 14 2011 - 10:54:07 PST)
[AMBER] Different print behavior for mdcrd and ncsu modules
(Wed Nov 09 2011 - 06:56:43 PST)
Re: [AMBER] problem in solvation
(Tue Nov 08 2011 - 11:49:26 PST)
Re: [AMBER] problem in solvation
(Tue Nov 08 2011 - 10:54:29 PST)
Re: [AMBER] Minimization problems. same box different water model
(Thu Nov 03 2011 - 11:23:09 PDT)
[AMBER] Minimization problems. same box different water model
(Thu Nov 03 2011 - 08:52:19 PDT)
Re: [AMBER] sander simulated annealing
(Wed Nov 02 2011 - 10:02:13 PDT)
Re: [AMBER] sander simulated annealing
(Wed Nov 02 2011 - 09:24:45 PDT)
Bruno Rodrigues
Re: [AMBER] Stability of water force fields
(Mon Nov 21 2011 - 09:32:40 PST)
[AMBER] Stability of water force fields
(Mon Nov 21 2011 - 04:30:21 PST)
Re: [AMBER] msd
(Mon Nov 14 2011 - 05:28:21 PST)
Re: [AMBER] distribution of selected water
(Tue Nov 01 2011 - 07:51:32 PDT)
Re: [AMBER] distribution of selected water
(Tue Nov 01 2011 - 07:39:03 PDT)
Re: [AMBER] molecule out box and correct hbond analysis
(Tue Nov 01 2011 - 04:56:00 PDT)
Re: [AMBER] distribution of selected water
(Tue Nov 01 2011 - 03:26:42 PDT)
Buddhadev Maiti
[AMBER] Building non standard DNA residue
(Mon Nov 14 2011 - 20:36:14 PST)
c00jsw00.nchc.narl.org.tw
Re: [AMBER] Nudged Elastic Band (NEB) with torque PBS system
(Wed Nov 09 2011 - 22:44:53 PST)
Caglar Bayar
[AMBER] General Amber FF Parameters
(Thu Nov 24 2011 - 14:08:47 PST)
caobb0214
[AMBER] 2-d PMF calculation with REMD
(Thu Nov 24 2011 - 21:12:27 PST)
caobb0214
[AMBER] REMD umbrella sampling
(Mon Nov 28 2011 - 20:13:47 PST)
Carlos Simmerling
Re: [AMBER] Restarting an MD run
(Mon Nov 28 2011 - 06:13:44 PST)
Re: [AMBER] alpha helix structure consist of Alanine
(Wed Nov 23 2011 - 08:57:53 PST)
Re: [AMBER] Pre-equilibrium of REMD simulations
(Mon Nov 14 2011 - 06:17:52 PST)
Re: [AMBER] Discrepancy of GBSA results
(Sat Nov 12 2011 - 07:22:21 PST)
Re: [AMBER] addles "old coordinate file not specified"
(Wed Nov 09 2011 - 06:53:16 PST)
Re: [AMBER] addles "old coordinate file not specified"
(Wed Nov 09 2011 - 06:36:29 PST)
Re: [AMBER] addles "old coordinate file not specified"
(Tue Nov 08 2011 - 09:19:39 PST)
Re: [AMBER] addles "old coordinate file not specified"
(Tue Nov 08 2011 - 07:17:00 PST)
Re: [AMBER] addles "old coordinate file not specified"
(Mon Nov 07 2011 - 10:37:50 PST)
Re: [AMBER] addles "old coordinate file not specified"
(Mon Nov 07 2011 - 09:29:18 PST)
case
Re: [AMBER] top2mol2 charges output in mol2
(Fri Nov 25 2011 - 09:27:32 PST)
Re: [AMBER] question on antechamber generating parameters for a charged ligand
(Fri Nov 25 2011 - 09:14:37 PST)
Re: [AMBER] Sander
(Fri Nov 25 2011 - 05:10:36 PST)
Re: [AMBER] How to repair defect RNA residues?
(Thu Nov 24 2011 - 11:05:59 PST)
Re: [AMBER] BUG in NAB file nabgrm.y
(Thu Nov 24 2011 - 08:03:36 PST)
Re: [AMBER] How to fix the installation problem of mopac
(Thu Nov 24 2011 - 07:12:41 PST)
Re: [AMBER] Parameters for Ionic liquids in AMBER
(Wed Nov 16 2011 - 18:53:15 PST)
Re: [AMBER] Problems of generating prmtop and inpcrd files for ligand-receptor with two Mg2+ ions --please help
(Tue Nov 15 2011 - 18:06:41 PST)
Re: [AMBER] Problems of generating prmtop and inpcrd files for ligand-receptor with two Mg2+ ions --please help
(Tue Nov 15 2011 - 17:59:16 PST)
Re: [AMBER] Problems of generating prmtop and inpcrd files for ligand-receptor with two Mg2+ ions --please help
(Mon Nov 14 2011 - 14:29:27 PST)
Re: [AMBER] Ca(2+) LJ parameters
(Sun Nov 13 2011 - 17:09:14 PST)
Re: [AMBER] mpirun
(Sat Nov 12 2011 - 08:05:16 PST)
Re: [AMBER] mpirun
(Sat Nov 12 2011 - 08:04:34 PST)
Re: [AMBER] Problems of generating prmtop and inpcrd files for ligand-receptor with two Mg2+ ions --please help
(Fri Nov 11 2011 - 19:36:39 PST)
Re: [AMBER] Problems of generating prmtop and inpcrd files for ligand-receptor with two Mg2+ ions --please help
(Fri Nov 11 2011 - 15:05:32 PST)
Re: [AMBER] AMBER 11 (Problem with the input format)
(Fri Nov 11 2011 - 04:59:23 PST)
Re: [AMBER] problem of generating prmtop and inpcrd files of a small molecule attached with several amino acids
(Fri Nov 11 2011 - 04:56:48 PST)
Re: [AMBER] MN2+ ion protein can't be dealed with MCPB
(Thu Nov 10 2011 - 06:24:14 PST)
Re: [AMBER] problems in reading linrary/tleap
(Thu Nov 10 2011 - 06:21:13 PST)
Re: [AMBER] R: problem with pmemd.cuda
(Thu Nov 10 2011 - 05:22:43 PST)
Re: [AMBER] Passing the free-format flag to files in sander and nmode
(Thu Nov 10 2011 - 05:17:26 PST)
Re: [AMBER] help with antechamber
(Wed Nov 09 2011 - 19:15:01 PST)
[AMBER] Passing the free-format flag to files in sander and nmode
(Wed Nov 09 2011 - 19:08:55 PST)
Re: [AMBER] How to keep Graphene sheet fixed during MD simulation.
(Sun Nov 06 2011 - 18:15:35 PST)
Re: [AMBER] 256 CPUs restriction in AmberMD?
(Sun Nov 06 2011 - 18:10:28 PST)
Re: [AMBER] About RESP fitting
(Sat Nov 05 2011 - 07:07:53 PDT)
Re: [AMBER] 1JFF Antechamber, LEaP problems
(Wed Nov 02 2011 - 18:59:07 PDT)
Re: [AMBER] 1JFF Antechamber, LEaP problems
(Wed Nov 02 2011 - 18:51:08 PDT)
Re: [AMBER] test_amber_cuda.sh requires small fix
(Wed Nov 02 2011 - 18:41:33 PDT)
Re: [AMBER] Issue with running sander with SHAKE
(Tue Nov 01 2011 - 18:48:21 PDT)
Changwoo Do
[AMBER] polymer blend
(Sun Nov 20 2011 - 09:45:07 PST)
Re: [AMBER] Charge method
(Tue Nov 15 2011 - 14:45:01 PST)
[AMBER] Charge method
(Tue Nov 15 2011 - 12:27:04 PST)
[AMBER] building a polymer and running antechamber on it
(Sat Nov 12 2011 - 10:14:13 PST)
Charles Johnson
[AMBER] makeDIST_RST error
(Tue Nov 22 2011 - 08:46:15 PST)
Re: [AMBER] sander error
(Thu Nov 03 2011 - 11:11:51 PDT)
Re: [AMBER] sander error
(Thu Nov 03 2011 - 10:57:29 PDT)
Re: [AMBER] sander error
(Thu Nov 03 2011 - 10:20:07 PDT)
Re: [AMBER] sander error
(Thu Nov 03 2011 - 10:06:17 PDT)
[AMBER] sander error
(Thu Nov 03 2011 - 07:24:08 PDT)
Re: [AMBER] sander simulated annealing
(Wed Nov 02 2011 - 09:32:02 PDT)
[AMBER] sander simulated annealing
(Wed Nov 02 2011 - 08:53:50 PDT)
Chris Whittleston
Re: [AMBER] BUG in NAB file nabgrm.y
(Fri Nov 25 2011 - 02:48:20 PST)
[AMBER] BUG in NAB file nabgrm.y
(Wed Nov 23 2011 - 08:48:49 PST)
co nguyentruong
Re: [AMBER] ICST-Amber Install
(Thu Nov 24 2011 - 11:31:52 PST)
Re: [AMBER] ICST-Amber Install
(Thu Nov 24 2011 - 04:57:38 PST)
Re: [AMBER] ICST-Amber Install
(Wed Nov 23 2011 - 01:16:18 PST)
[AMBER] ICST-Amber Install
(Wed Nov 23 2011 - 01:14:07 PST)
Crystal.CHIA-YU Ku
Re: [AMBER] How to repair defect RNA residues?
(Wed Nov 23 2011 - 16:05:07 PST)
Re: [AMBER] How to fix the installation problem of mopac
(Wed Nov 23 2011 - 14:38:12 PST)
[AMBER] How to fix the installation problem of mopac
(Tue Nov 22 2011 - 16:53:59 PST)
Re: [AMBER] How to repair defect RNA residues?
(Tue Nov 22 2011 - 14:41:32 PST)
[AMBER] How to repair defect RNA residues?
(Mon Nov 21 2011 - 18:38:19 PST)
Re: [AMBER] Problems of generating prmtop and inpcrd files for ligand-receptor with two Mg2+ ions --please help
(Mon Nov 21 2011 - 17:40:38 PST)
Re: [AMBER] Problems of generating prmtop and inpcrd files for ligand-receptor with two Mg2+ ions --please help
(Fri Nov 18 2011 - 17:12:24 PST)
Re: [AMBER] Problems of generating prmtop and inpcrd files for ligand-receptor with two Mg2+ ions --please help
(Fri Nov 18 2011 - 14:21:07 PST)
Re: [AMBER] Problems of generating prmtop and inpcrd files for ligand-receptor with two Mg2+ ions --please help
(Thu Nov 17 2011 - 16:32:03 PST)
Re: [AMBER] Problems of generating prmtop and inpcrd files for ligand-receptor with two Mg2+ ions --please help
(Wed Nov 16 2011 - 11:08:18 PST)
Re: [AMBER] Problems of generating prmtop and inpcrd files for ligand-receptor with two Mg2+ ions --please help
(Tue Nov 15 2011 - 15:42:58 PST)
Re: [AMBER] Problems of generating prmtop and inpcrd files for ligand-receptor with two Mg2+ ions --please help
(Tue Nov 15 2011 - 14:24:00 PST)
Re: [AMBER] Problems of generating prmtop and inpcrd files for ligand-receptor with two Mg2+ ions --please help
(Mon Nov 14 2011 - 16:33:02 PST)
Re: [AMBER] Problems of generating prmtop and inpcrd files for ligand-receptor with two Mg2+ ions --please help
(Mon Nov 14 2011 - 14:42:43 PST)
Re: [AMBER] Problems of generating prmtop and inpcrd files for ligand-receptor with two Mg2+ ions --please help
(Mon Nov 14 2011 - 11:52:12 PST)
Re: [AMBER] Problems of generating prmtop and inpcrd files for ligand-receptor with two Mg2+ ions --please help
(Fri Nov 11 2011 - 17:47:51 PST)
[AMBER] Problems of generating prmtop and inpcrd files for ligand-receptor with two Mg2+ ions --please help
(Fri Nov 11 2011 - 13:48:18 PST)
Daniel Roe
Re: [AMBER] Problem running Ptraj with CHARMM psf and dcd trajectory file
(Mon Nov 28 2011 - 08:09:26 PST)
Re: [AMBER] clustering analysis in ptraj takes too long time
(Tue Nov 22 2011 - 10:07:44 PST)
Re: [AMBER] MMPBSA - ptraj for RMSD
(Wed Nov 16 2011 - 05:14:59 PST)
Re: [AMBER] Nudged Elastic Band (NEB) with torque PBS system
(Thu Nov 10 2011 - 05:51:36 PST)
Re: [AMBER] calculate residue wise SASA
(Tue Nov 08 2011 - 22:23:06 PST)
Re: [AMBER] Two LMOD questions
(Thu Nov 03 2011 - 14:57:29 PDT)
Re: [AMBER] AmberTools 1.5 build fails due to undefined symbols in libnetcdf.a
(Thu Nov 03 2011 - 07:43:55 PDT)
Re: [AMBER] AmberTools 1.5 build fails due to undefined symbols in libnetcdf.a
(Tue Nov 01 2011 - 19:41:12 PDT)
Re: [AMBER] distribution of selected water
(Tue Nov 01 2011 - 08:55:13 PDT)
Re: [AMBER] distribution of selected water
(Tue Nov 01 2011 - 07:44:21 PDT)
Re: [AMBER] Measurement of distance between residues forming Hydrogen bond
(Tue Nov 01 2011 - 07:35:04 PDT)
Daniel Sindhikara
Re: [AMBER] REMD umbrella sampling
(Tue Nov 29 2011 - 01:48:23 PST)
Re: [AMBER] 2-d PMF calculation with REMD
(Thu Nov 24 2011 - 22:20:54 PST)
David A Case
Re: [AMBER] glibc error while running Xleap
(Wed Nov 30 2011 - 05:13:04 PST)
Re: [AMBER] antechamber error
(Wed Nov 30 2011 - 05:08:22 PST)
Re: [AMBER] Issue with running sander with SHAKE
(Tue Nov 29 2011 - 12:15:32 PST)
Re: [AMBER] cis conformation of amino acid
(Tue Nov 29 2011 - 10:15:45 PST)
Re: [AMBER] leap problem: TER cards disappearing
(Tue Nov 29 2011 - 08:59:35 PST)
Re: [AMBER] glibc error while running Xleap
(Tue Nov 29 2011 - 08:38:25 PST)
Re: [AMBER] glibc error while running Xleap
(Tue Nov 29 2011 - 06:48:26 PST)
Re: [AMBER] ANTECHAMBER: fatal error
(Tue Nov 29 2011 - 06:44:13 PST)
Re: [AMBER] Issue with running sander with SHAKE
(Tue Nov 29 2011 - 06:42:14 PST)
Re: [AMBER] mdrun continuation
(Tue Nov 29 2011 - 04:45:37 PST)
Re: [AMBER] pdb file with a covalently linked nerve agent
(Mon Nov 28 2011 - 10:04:32 PST)
Re: [AMBER] help with antechamber
(Mon Nov 28 2011 - 09:57:31 PST)
Re: [AMBER] top2mol2 charges output in mol2
(Mon Nov 28 2011 - 06:44:42 PST)
Re: [AMBER] antechamber solvent
(Mon Nov 28 2011 - 06:38:05 PST)
Re: [AMBER] cutoff distance again
(Mon Nov 28 2011 - 06:31:19 PST)
Re: [AMBER] How to fix the installation problem of mopac
(Wed Nov 23 2011 - 05:05:21 PST)
Re: [AMBER] makeDIST_RST error
(Tue Nov 22 2011 - 11:23:00 PST)
Re: [AMBER] Error on PCA
(Tue Nov 22 2011 - 07:51:24 PST)
Re: [AMBER] how to obtain NOEs from MD trajectory ?
(Tue Nov 22 2011 - 07:48:22 PST)
Re: [AMBER] Stability of water force fields
(Tue Nov 22 2011 - 05:35:42 PST)
Re: [AMBER] frcmod file for metal-amino acid complex
(Tue Nov 22 2011 - 05:20:14 PST)
Re: [AMBER] Stability of water force fields
(Mon Nov 21 2011 - 09:04:46 PST)
Re: [AMBER] help with antechamber
(Mon Nov 21 2011 - 08:50:28 PST)
Re: [AMBER] Segmentation fault - LeAP - Ring structure
(Fri Nov 18 2011 - 07:55:47 PST)
Re: [AMBER] Problems of generating prmtop and inpcrd files for ligand-receptor with two Mg2+ ions --please help
(Thu Nov 17 2011 - 08:33:26 PST)
Re: [AMBER] H-Bond problem
(Wed Nov 16 2011 - 13:33:24 PST)
Re: [AMBER] Problems of generating prmtop and inpcrd files for ligand-receptor with two Mg2+ ions --please help
(Wed Nov 16 2011 - 13:24:06 PST)
Re: [AMBER] Compilation fail of amberTools 1.2 for amber10 support
(Wed Nov 16 2011 - 06:42:45 PST)
Re: [AMBER] mpirun
(Wed Nov 16 2011 - 06:28:12 PST)
Re: [AMBER] problem in leap
(Wed Nov 16 2011 - 06:26:00 PST)
Re: [AMBER] Installing AMBER9 in SGI_ALTIX-XE1300 - need some help
(Wed Nov 16 2011 - 06:19:11 PST)
Re: [AMBER] ambertools 1.5 compiling ERROR: Return type mismatch of function 'cgalf' at (1) (REAL(8)/REAL(4))
(Tue Nov 15 2011 - 08:08:06 PST)
Re: [AMBER] Problems of generating prmtop and inpcrd files for ligand-receptor with two Mg2+ ions --please help
(Tue Nov 15 2011 - 05:29:02 PST)
Re: [AMBER] Problems of generating prmtop and inpcrd files for ligand-receptor with two Mg2+ ions --please help
(Tue Nov 15 2011 - 05:26:06 PST)
Re: [AMBER] Installing AMBER9 in SGI_ALTIX-XE1300 - need some help
(Tue Nov 15 2011 - 04:53:18 PST)
Re: [AMBER] leap cannot read MOL2 file that it has written before: small fix suggested
(Tue Nov 15 2011 - 04:44:56 PST)
Re: [AMBER] Xleap pdb editing
(Thu Nov 10 2011 - 13:38:15 PST)
Re: [AMBER] Xleap pdb editing
(Thu Nov 10 2011 - 10:57:58 PST)
Re: [AMBER] Different print behavior for mdcrd and ncsu modules
(Thu Nov 10 2011 - 08:22:19 PST)
Re: [AMBER] problem of generating prmtop and inpcrd files of a small molecule attached with several amino acids
(Thu Nov 10 2011 - 08:21:12 PST)
Re: [AMBER] Xleap pdb editing
(Thu Nov 10 2011 - 08:18:46 PST)
Re: [AMBER] problem in solvation
(Wed Nov 09 2011 - 13:30:31 PST)
Re: [AMBER] problem in solvation
(Wed Nov 09 2011 - 07:22:19 PST)
Re: [AMBER] Membrane building
(Wed Nov 09 2011 - 07:13:08 PST)
Re: [AMBER] addles "old coordinate file not specified"
(Wed Nov 09 2011 - 07:07:49 PST)
Re: [AMBER] problems in reading molecule in tleap/xleap
(Wed Nov 09 2011 - 07:02:11 PST)
Re: [AMBER] problem of installation of amber 11 on ubuntu
(Mon Nov 07 2011 - 06:34:20 PST)
Re: [AMBER] Installation of amber11 on the latest Ubuntu 64bit
(Mon Nov 07 2011 - 06:26:56 PST)
Re: [AMBER] How to keep Graphene sheet fixed during MD simulation.
(Mon Nov 07 2011 - 06:08:58 PST)
Re: [AMBER] How to keep Graphene sheet fixed during MD simulation.
(Mon Nov 07 2011 - 06:08:00 PST)
Re: [AMBER] sander error
(Fri Nov 04 2011 - 10:48:20 PDT)
Re: [AMBER] Issue with running sander with SHAKE
(Fri Nov 04 2011 - 10:39:14 PDT)
Re: [AMBER] Two LMOD questions
(Fri Nov 04 2011 - 07:20:28 PDT)
Re: [AMBER] problems in reading molecule in tleap/xleap
(Fri Nov 04 2011 - 07:16:44 PDT)
Re: [AMBER] Minimization problems. same box different water model
(Fri Nov 04 2011 - 07:10:47 PDT)
Re: [AMBER] sander error
(Thu Nov 03 2011 - 11:06:53 PDT)
Re: [AMBER] problems in reading molecule in tleap/xleap
(Thu Nov 03 2011 - 11:06:36 PDT)
Re: [AMBER] Minimization problems. same box different water model
(Thu Nov 03 2011 - 10:52:13 PDT)
Re: [AMBER] Minimization in sander
(Thu Nov 03 2011 - 05:24:46 PDT)
Re: [AMBER] post MD energy calculations
(Wed Nov 02 2011 - 10:24:03 PDT)
Re: [AMBER] sander simulated annealing
(Wed Nov 02 2011 - 10:18:46 PDT)
Re: [AMBER] Minimization in sander
(Wed Nov 02 2011 - 06:58:38 PDT)
Re: [AMBER] Problems with XLEAP
(Wed Nov 02 2011 - 06:50:02 PDT)
Re: [AMBER] please help me
(Wed Nov 02 2011 - 04:49:17 PDT)
Re: [AMBER] Minimization in sander
(Wed Nov 02 2011 - 04:47:06 PDT)
Re: [AMBER] Problems with XLEAP
(Tue Nov 01 2011 - 08:56:05 PDT)
Re: [AMBER] how to load atom type for divalent ions in leaprc.ff10?
(Tue Nov 01 2011 - 08:51:07 PDT)
Re: [AMBER] Problems with XLEAP
(Tue Nov 01 2011 - 07:34:08 PDT)
Re: [AMBER] Issue with running sander with SHAKE
(Tue Nov 01 2011 - 05:22:13 PDT)
Re: [AMBER] how to load atom type for divalent ions in leaprc.ff10?
(Tue Nov 01 2011 - 05:14:08 PDT)
Re: [AMBER] Problems with AmberTools compilation under Debian
(Tue Nov 01 2011 - 05:01:50 PDT)
David A. Case
Re: [AMBER] Order parameter
(Sat Nov 19 2011 - 07:31:06 PST)
Re: [AMBER] Segmentation fault - LeAP - Ring structure
(Fri Nov 18 2011 - 21:18:25 PST)
Re: [AMBER] Problems of generating prmtop and inpcrd files for ligand-receptor with two Mg2+ ions --please help
(Fri Nov 18 2011 - 21:13:26 PST)
Re: [AMBER] generating frcmod files
(Fri Nov 18 2011 - 21:11:37 PST)
Re: [AMBER] compiling pmemd in amber9
(Thu Nov 17 2011 - 19:31:45 PST)
Re: [AMBER] Problems of generating prmtop and inpcrd files for ligand-receptor with two Mg2+ ions --please help
(Thu Nov 17 2011 - 19:26:42 PST)
David Condon
Re: [AMBER] Minimization of only certain atoms
(Wed Nov 16 2011 - 06:30:56 PST)
[AMBER] Minimization of only certain atoms
(Tue Nov 15 2011 - 06:51:51 PST)
[AMBER] 16 microsecond MD run
(Sun Nov 13 2011 - 15:30:45 PST)
Dean Cuebas
Re: [AMBER] question on antechamber generating parameters for a charged ligand
(Sat Nov 26 2011 - 14:02:16 PST)
DEBOSTUTI GHOSHDASTIDAR
Re: [AMBER] Protein structure heating into a mess
(Mon Nov 07 2011 - 09:28:38 PST)
Re: [AMBER] Protein structure heating into a mess
(Mon Nov 07 2011 - 09:27:54 PST)
Dmitry Nilov
Re: [AMBER] question on antechamber generating parameters for a charged ligand
(Fri Nov 25 2011 - 07:39:16 PST)
Re: [AMBER] question on antechamber generating parameters for a charged ligand
(Fri Nov 25 2011 - 07:24:22 PST)
Re: [AMBER] question on antechamber generating parameters for a charged ligand
(Fri Nov 25 2011 - 06:36:26 PST)
Dr. Vitaly V. Chaban
Re: [AMBER] Charge method
(Tue Nov 15 2011 - 20:30:38 PST)
Re: [AMBER] Charge method
(Tue Nov 15 2011 - 14:18:55 PST)
Re: [AMBER] Charge method
(Tue Nov 15 2011 - 14:17:21 PST)
Re: [AMBER] "force field" vs. "potential"
(Mon Nov 14 2011 - 11:19:20 PST)
Re: [AMBER] Calculate charges using better method/basis set?
(Mon Nov 14 2011 - 10:26:11 PST)
Re: [AMBER] Calculate charges using better method/basis set?
(Mon Nov 14 2011 - 10:21:49 PST)
Re: [AMBER] Calculate charges using better method/basis set?
(Sun Nov 13 2011 - 12:54:57 PST)
Re: [AMBER] Calculate charges using better method/basis set?
(Sun Nov 13 2011 - 12:52:17 PST)
[AMBER] Ca(2+) LJ parameters
(Sun Nov 13 2011 - 12:40:53 PST)
Elisabeth Widjajakusuma
Re: [AMBER] Error on PCA
(Tue Nov 22 2011 - 08:16:26 PST)
[AMBER] Error on PCA
(Tue Nov 22 2011 - 06:00:13 PST)
Emmanuel Baribefe Naziga
Re: [AMBER] QMMM SCC-DFTB: ERROR ON EWEVGE (Eigenvalue solver)
(Tue Nov 15 2011 - 10:32:36 PST)
Re: [AMBER] QMMM SCC-DFTB: ERROR ON EWEVGE (Eigenvalue solver)
(Tue Nov 15 2011 - 10:12:11 PST)
Re: [AMBER] QMMM SCC-DFTB: ERROR ON EWEVGE (Eigenvalue solver)
(Tue Nov 15 2011 - 09:01:49 PST)
[AMBER] QMMM SCC-DFTB: ERROR ON EWEVGE (Eigenvalue solver)
(Mon Nov 14 2011 - 15:39:13 PST)
Esam Tolba
[AMBER] mm_pbsa error
(Sat Nov 05 2011 - 09:27:28 PDT)
[AMBER] RMSD of one atom
(Tue Nov 01 2011 - 10:31:41 PDT)
Fernando Blanco
[AMBER] MMPBSA - ptraj for RMSD
(Wed Nov 16 2011 - 03:05:27 PST)
[AMBER] MMPBSA - running dynamics
(Sat Nov 12 2011 - 11:16:06 PST)
Re: [AMBER] AMBER 11 (Problem with the input format)
(Fri Nov 11 2011 - 05:12:56 PST)
Re: [AMBER] AMBER 11 (Problem with the input format)
(Fri Nov 11 2011 - 05:09:44 PST)
[AMBER] AMBER 11 (Problem with the input format)
(Fri Nov 11 2011 - 04:40:30 PST)
filip fratev
Re: [AMBER] Sufficient CPU cores/GPU ratio ?
(Wed Nov 30 2011 - 14:09:27 PST)
fn1.rice.edu
Re: [AMBER] question on antechamber generating parameters for a charged ligand
(Sat Nov 26 2011 - 14:36:08 PST)
Re: [AMBER] question on antechamber generating parameters for a charged ligand
(Fri Nov 25 2011 - 07:33:12 PST)
Re: [AMBER] question on antechamber generating parameters for a charged ligand
(Fri Nov 25 2011 - 07:25:33 PST)
Re: [AMBER] question on antechamber generating parameters for a charged ligand
(Fri Nov 25 2011 - 06:53:24 PST)
[AMBER] question on antechamber generating parameters for a charged ligand
(Fri Nov 25 2011 - 06:17:42 PST)
Francesco Oteri
Re: [AMBER] iron sulphur cluster parametrization
(Tue Nov 01 2011 - 05:03:02 PDT)
Re: [AMBER] iron sulphur cluster parametrization
(Tue Nov 01 2011 - 04:46:51 PDT)
Re: [AMBER] iron sulphur cluster parametrization
(Tue Nov 01 2011 - 03:29:13 PDT)
Francesco Paesani
Re: [AMBER] dynamics of isotopically labelled proteins
(Mon Nov 21 2011 - 08:18:57 PST)
Frank Barry
Re: [AMBER] AmberTools1.5 install problems on Mac OS X 10.7.2
(Tue Nov 08 2011 - 17:01:56 PST)
[AMBER] AmberTools1.5 install problems on Mac OS X 10.7.2
(Tue Nov 08 2011 - 12:30:58 PST)
FyD
Re: [AMBER] atom types error
(Tue Nov 29 2011 - 02:57:03 PST)
[AMBER] q4md-forcefieldtools.org announcement
(Thu Nov 24 2011 - 12:51:26 PST)
Re: [AMBER] how to add new groups to all_amino94.in
(Mon Nov 21 2011 - 00:09:51 PST)
Re: [AMBER] how to add new groups to all_amino94.in
(Sun Nov 20 2011 - 08:02:29 PST)
Re: [AMBER] how to add new groups to all_amino94.in
(Sat Nov 19 2011 - 01:37:24 PST)
Re: [AMBER] Problems of generating prmtop and inpcrd files for ligand-receptor with two Mg2+ ions --please help
(Fri Nov 18 2011 - 08:31:24 PST)
Re: [AMBER] building a polymer and running antechamber on it
(Tue Nov 15 2011 - 04:13:14 PST)
Re: [AMBER] Building non standard DNA residue
(Tue Nov 15 2011 - 04:06:17 PST)
Re: [AMBER] problems in reading linrary/tleap
(Thu Nov 10 2011 - 09:59:26 PST)
Re: [AMBER] problems in reading molecule in tleap/xleap
(Tue Nov 08 2011 - 06:07:47 PST)
Re: [AMBER] problems in reading molecule in tleap/xleap
(Tue Nov 08 2011 - 03:39:52 PST)
Re: [AMBER] About defining of a modified cytosine which is covalently bonded to the sulfer of cysteine
(Tue Nov 08 2011 - 02:43:32 PST)
Re: [AMBER] parameters for anchor-modified glycopeptides
(Tue Nov 08 2011 - 00:41:11 PST)
Re: [AMBER] 1JFF Antechamber, LEaP problems
(Mon Nov 07 2011 - 07:16:30 PST)
Re: [AMBER] parameters for anchor-modified glycopeptides
(Mon Nov 07 2011 - 06:15:01 PST)
Re: [AMBER] About RESP fitting
(Sun Nov 06 2011 - 03:02:32 PST)
Re: [AMBER] problems in reading molecule in tleap/xleap
(Sat Nov 05 2011 - 00:17:58 PDT)
Re: [AMBER] parameters for anchor-modified glycopeptides
(Fri Nov 04 2011 - 04:16:33 PDT)
Re: [AMBER] 1JFF Antechamber, LEaP problems
(Thu Nov 03 2011 - 01:34:31 PDT)
Re: [AMBER] parameters for anchor-modified glycopeptides
(Wed Nov 02 2011 - 05:40:47 PDT)
Re: [AMBER] parameters for anchor-modified glycopeptides
(Wed Nov 02 2011 - 01:10:38 PDT)
Re: [AMBER] parameters for anchor-modified glycopeptides
(Tue Nov 01 2011 - 07:11:09 PDT)
Re: [AMBER] iron sulphur cluster parametrization
(Tue Nov 01 2011 - 07:03:17 PDT)
Re: [AMBER] parameters for anchor-modified glycopeptides
(Tue Nov 01 2011 - 04:35:00 PDT)
Re: [AMBER] iron sulphur cluster parametrization
(Tue Nov 01 2011 - 04:19:18 PDT)
Re: [AMBER] iron sulphur cluster parametrization
(Tue Nov 01 2011 - 01:10:26 PDT)
Ganesh Kamath
Re: [AMBER] Parameters for Ionic liquids in AMBER
(Wed Nov 16 2011 - 13:27:21 PST)
[AMBER] Parameters for Ionic liquids in AMBER
(Wed Nov 16 2011 - 12:48:47 PST)
Garo Garabedyan
[AMBER] 256 CPUs restriction in AmberMD?
(Sun Nov 06 2011 - 13:06:57 PST)
George M Giambasu
Re: [AMBER] amber99sb in AMBER vs amber99sb in GROMACS or NAMD
(Mon Nov 21 2011 - 12:58:59 PST)
George Tzotzos
Re: [AMBER] ANTECHAMBER: fatal error
(Sat Nov 26 2011 - 13:51:57 PST)
Re: [AMBER] ANTECHAMBER: fatal error
(Sat Nov 26 2011 - 11:10:37 PST)
[AMBER] ANTECHAMBER: fatal error
(Sat Nov 26 2011 - 10:13:37 PST)
Giovanni Pavan
[AMBER] R: how to prepare 4:4:1 methanol-chloroform-water mixture
(Mon Nov 28 2011 - 01:22:14 PST)
[AMBER] R: problem with pmemd.cuda
(Thu Nov 10 2011 - 01:00:23 PST)
[AMBER] problem with pmemd.cuda
(Wed Nov 09 2011 - 01:07:57 PST)
[AMBER] anisotropic NPT simulation
(Sat Nov 05 2011 - 11:16:30 PDT)
[AMBER] directional pressure variation
(Fri Nov 04 2011 - 08:08:05 PDT)
Gonzalo Jimenez
Re: [AMBER] Select cuda ID device in PMEMD
(Thu Nov 17 2011 - 23:05:24 PST)
Re: [AMBER] Select cuda ID device in PMEMD
(Thu Nov 17 2011 - 22:19:15 PST)
Re: [AMBER] Select cuda ID device in PMEMD
(Thu Nov 17 2011 - 21:04:26 PST)
Re: [AMBER] Select cuda ID device in PMEMD
(Thu Nov 17 2011 - 19:43:48 PST)
[AMBER] Select cuda ID device in PMEMD
(Thu Nov 17 2011 - 19:14:34 PST)
Gould, Ian R
[AMBER] NVIDIA GPU Event at Imperial College London
(Mon Nov 28 2011 - 02:59:48 PST)
gunajyoti das
[AMBER] About RESP fitting
(Sat Nov 05 2011 - 05:36:52 PDT)
Gustavo Seabra
Re: [AMBER] installation of amberTools on lion fails
(Mon Nov 21 2011 - 08:14:42 PST)
Re: [AMBER] installation of amberTools on lion fails
(Mon Nov 21 2011 - 07:16:01 PST)
Re: [AMBER] QMMM SCC-DFTB: ERROR ON EWEVGE (Eigenvalue solver)
(Tue Nov 15 2011 - 10:54:43 PST)
hai wei
Re: [AMBER] How to keep Graphene sheet fixed during MD simulation.
(Mon Nov 07 2011 - 19:14:54 PST)
Re: [AMBER] How to keep Graphene sheet fixed during MD simulation.
(Mon Nov 07 2011 - 15:24:59 PST)
Re: [AMBER] How to keep Graphene sheet fixed during MD simulation.
(Sun Nov 06 2011 - 23:02:24 PST)
Re: [AMBER] How to keep Graphene sheet fixed during MD simulation.
(Sun Nov 06 2011 - 22:30:12 PST)
Re: [AMBER] How to keep Graphene sheet fixed during MD simulation.
(Sun Nov 06 2011 - 19:10:44 PST)
[AMBER] How to keep Graphene sheet fixed during MD simulation.
(Sun Nov 06 2011 - 15:51:06 PST)
Hector A. Baldoni
[AMBER] bad atom type: Br
(Fri Nov 11 2011 - 13:17:17 PST)
Ilyas Yildirim
Re: [AMBER] iron sulphur cluster parametrization
(Tue Nov 01 2011 - 04:25:42 PDT)
intra\\sa175950
Re: [AMBER] question to R.E.D server
(Thu Nov 17 2011 - 07:22:38 PST)
Irene Newhouse
Re: [AMBER] Problems of generating prmtop and inpcrd files for ligand-receptor with two Mg2+ ions --please help
(Tue Nov 15 2011 - 11:26:15 PST)
Ismail, Mohd F.
Re: [AMBER] Calculate charges using better method/basis set?
(Wed Nov 16 2011 - 11:03:04 PST)
Re: [AMBER] Calculate charges using better method/basis set?
(Wed Nov 16 2011 - 07:10:34 PST)
Re: [AMBER] Calculate charges using better method/basis set?
(Mon Nov 14 2011 - 08:29:49 PST)
[AMBER] Calculate charges using better method/basis set?
(Sat Nov 12 2011 - 10:22:20 PST)
James Starlight
Re: [AMBER] Xleap pdb editing
(Thu Nov 10 2011 - 11:48:23 PST)
Re: [AMBER] Xleap pdb editing
(Thu Nov 10 2011 - 10:31:42 PST)
[AMBER] Xleap pdb editing
(Thu Nov 10 2011 - 07:47:15 PST)
Re: [AMBER] Problems with XLEAP
(Mon Nov 07 2011 - 04:52:10 PST)
Re: [AMBER] bashrc problems
(Fri Nov 04 2011 - 06:47:44 PDT)
Re: [AMBER] bashrc problems
(Fri Nov 04 2011 - 05:52:15 PDT)
Re: [AMBER] Problems with XLEAP
(Wed Nov 02 2011 - 04:44:20 PDT)
Re: [AMBER] Problems with XLEAP
(Tue Nov 01 2011 - 07:47:34 PDT)
Re: [AMBER] Problems with XLEAP
(Tue Nov 01 2011 - 06:06:55 PDT)
Re: [AMBER] Problems with AmberTools compilation under Debian
(Tue Nov 01 2011 - 05:04:35 PDT)
Re: [AMBER] Problems with XLEAP
(Tue Nov 01 2011 - 04:56:24 PDT)
Re: [AMBER] Problems with XLEAP
(Tue Nov 01 2011 - 04:17:38 PDT)
[AMBER] Problems with XLEAP
(Tue Nov 01 2011 - 03:44:07 PDT)
Re: [AMBER] Problems with AmberTools compilation under Debian
(Tue Nov 01 2011 - 00:05:18 PDT)
Jan-Philip Gehrcke
Re: [AMBER] leap cannot read MOL2 file that it has written before: small fix suggested
(Tue Nov 15 2011 - 03:48:13 PST)
Re: [AMBER] "force field" vs. "potential"
(Tue Nov 15 2011 - 03:43:09 PST)
[AMBER] "force field" vs. "potential"
(Mon Nov 14 2011 - 11:15:47 PST)
Re: [AMBER] how to use ptraj to convert trajectory files?
(Sun Nov 13 2011 - 12:45:59 PST)
Re: [AMBER] leap cannot read MOL2 file that it has written before: small fix suggested
(Fri Nov 11 2011 - 02:00:09 PST)
Re: [AMBER] leap cannot read MOL2 file that it has written before: small fix suggested
(Thu Nov 10 2011 - 14:35:12 PST)
Re: [AMBER] leap cannot read MOL2 file that it has written before: small fix suggested
(Thu Nov 10 2011 - 14:32:30 PST)
[AMBER] leap cannot read MOL2 file that it has written before: small fix suggested
(Thu Nov 10 2011 - 11:26:20 PST)
Re: [AMBER] addles "old coordinate file not specified"
(Wed Nov 09 2011 - 08:34:30 PST)
Re: [AMBER] problem in solvation
(Wed Nov 09 2011 - 07:52:06 PST)
Re: [AMBER] problem in solvation
(Wed Nov 09 2011 - 07:38:05 PST)
Re: [AMBER] problem in solvation
(Wed Nov 09 2011 - 02:21:28 PST)
Re: [AMBER] problem in solvation
(Tue Nov 08 2011 - 10:06:18 PST)
Re: [AMBER] Installation of amber11 on the latest Ubuntu 64bit
(Mon Nov 07 2011 - 07:55:35 PST)
Re: [AMBER] Installation of amber11 on the latest Ubuntu 64bit
(Mon Nov 07 2011 - 05:55:19 PST)
Re: [AMBER] MMPBSA.py: DELTA section missing in FINAL_DECOMP_MMPBSA.dat for dec_verbose=3
(Fri Nov 04 2011 - 13:53:05 PDT)
[AMBER] MMPBSA.py: DELTA section missing in FINAL_DECOMP_MMPBSA.dat for dec_verbose=3
(Fri Nov 04 2011 - 09:47:32 PDT)
[AMBER] Installation of MMPBSA.MPI should be clarified
(Fri Nov 04 2011 - 07:37:29 PDT)
Re: [AMBER] bashrc problems
(Fri Nov 04 2011 - 06:03:39 PDT)
Re: [AMBER] AmberTools 1.5 build fails due to undefined symbols in libnetcdf.a
(Fri Nov 04 2011 - 05:47:46 PDT)
Re: [AMBER] bashrc problems
(Fri Nov 04 2011 - 04:38:07 PDT)
Re: [AMBER] AmberTools 1.5 build fails due to undefined symbols in libnetcdf.a
(Thu Nov 03 2011 - 06:59:42 PDT)
Re: [AMBER] test_amber_cuda.sh requires small fix
(Wed Nov 02 2011 - 11:24:07 PDT)
Re: [AMBER] AmberTools 1.5 build fails due to undefined symbols in libnetcdf.a
(Wed Nov 02 2011 - 08:18:10 PDT)
[AMBER] test_amber_cuda.sh requires small fix
(Wed Nov 02 2011 - 08:13:39 PDT)
Re: [AMBER] AmberTools 1.5 build fails due to undefined symbols in libnetcdf.a
(Wed Nov 02 2011 - 08:07:17 PDT)
Re: [AMBER] AmberTools 1.5 build fails due to undefined symbols in libnetcdf.a
(Wed Nov 02 2011 - 03:48:29 PDT)
Re: [AMBER] AmberTools 1.5 build fails due to undefined symbols in libnetcdf.a
(Tue Nov 01 2011 - 15:52:04 PDT)
Re: [AMBER] AmberTools 1.5 build fails due to undefined symbols in libnetcdf.a
(Tue Nov 01 2011 - 14:38:21 PDT)
[AMBER] AmberTools 1.5 build fails due to undefined symbols in libnetcdf.a
(Tue Nov 01 2011 - 13:45:51 PDT)
Jana Sefcikova 1
[AMBER] ATOM TYPES for MODIFIED dCTP
(Wed Nov 30 2011 - 12:32:39 PST)
Jason Swails
Re: [AMBER] error by running MMPBSa
(Wed Nov 30 2011 - 05:58:23 PST)
Re: [AMBER] sp3d hybridization
(Tue Nov 29 2011 - 06:23:00 PST)
Re: [AMBER] Restarting an MD run
(Mon Nov 28 2011 - 06:13:17 PST)
Re: [AMBER] Calculation of free energy of solvation
(Sun Nov 27 2011 - 20:52:23 PST)
Re: [AMBER] Using nrespa with NPT
(Sun Nov 27 2011 - 02:16:18 PST)
Re: [AMBER] MMPBSA
(Fri Nov 25 2011 - 08:27:47 PST)
Re: [AMBER] General Amber FF Parameters
(Thu Nov 24 2011 - 20:26:45 PST)
Re: [AMBER] ICST-Amber Install
(Thu Nov 24 2011 - 08:45:17 PST)
Re: [AMBER] ICST-Amber Install
(Wed Nov 23 2011 - 22:21:31 PST)
Re: [AMBER] CCYX not recognized by ff03 in tleap
(Wed Nov 23 2011 - 21:47:58 PST)
Re: [AMBER] CCYX not recognized by ff03 in tleap
(Wed Nov 23 2011 - 13:58:20 PST)
Re: [AMBER] How to repair defect RNA residues?
(Wed Nov 23 2011 - 08:38:22 PST)
Re: [AMBER] AmberTools 1.5 compilation: Error importing cpinutil.py python modules! cpinutil will not work
(Tue Nov 22 2011 - 10:26:35 PST)
Re: [AMBER] AmberTools 1.5 compilation: Error importing cpinutil.py python modules! cpinutil will not work
(Tue Nov 22 2011 - 07:27:13 PST)
Re: [AMBER] frcmod file for metal-amino acid complex
(Tue Nov 22 2011 - 04:26:45 PST)
Re: [AMBER] AmberTools 1.5 compilation: Error importing cpinutil.py python modules! cpinutil will not work
(Tue Nov 22 2011 - 04:20:38 PST)
Re: [AMBER] mpirun
(Tue Nov 22 2011 - 04:13:50 PST)
Re: [AMBER] How to use strip mask and receptor mask in the new mmpbsa.py?
(Tue Nov 22 2011 - 04:07:03 PST)
Re: [AMBER] How to repair defect RNA residues?
(Tue Nov 22 2011 - 03:53:13 PST)
Re: [AMBER] installation of amberTools on lion fails
(Mon Nov 21 2011 - 13:03:22 PST)
Re: [AMBER] installation of amberTools on lion fails
(Mon Nov 21 2011 - 12:21:11 PST)
Re: [AMBER] installation of amberTools on lion fails
(Mon Nov 21 2011 - 11:40:11 PST)
Re: [AMBER] installation of amberTools on lion fails
(Mon Nov 21 2011 - 11:12:06 PST)
Re: [AMBER] installation of amberTools on lion fails
(Mon Nov 21 2011 - 11:09:20 PST)
Re: [AMBER] installation of amberTools on lion fails
(Mon Nov 21 2011 - 08:07:12 PST)
Re: [AMBER] installation of amberTools on lion fails
(Mon Nov 21 2011 - 08:06:59 PST)
Re: [AMBER] installation of amberTools on lion fails
(Mon Nov 21 2011 - 07:04:39 PST)
Re: [AMBER] dynamics of isotopically labelled proteins
(Mon Nov 21 2011 - 06:00:00 PST)
Re: [AMBER] how to speed up nmode calculation using MMPBSA.MPI?
(Sun Nov 20 2011 - 20:45:56 PST)
Re: [AMBER] how to add new groups to all_amino94.in
(Sun Nov 20 2011 - 10:20:03 PST)
Re: [AMBER] how to add new groups to all_amino94.in
(Sat Nov 19 2011 - 13:26:15 PST)
Re: [AMBER] Differentially restraining backbone and sidechain atoms from Chamber generated prmtop
(Fri Nov 18 2011 - 10:27:50 PST)
Re: [AMBER] Segmentation fault - LeAP - Ring structure
(Fri Nov 18 2011 - 07:59:43 PST)
Re: [AMBER] Select cuda ID device in PMEMD
(Thu Nov 17 2011 - 20:55:17 PST)
Re: [AMBER] dummny atoms in .prep file
(Wed Nov 16 2011 - 12:15:14 PST)
Re: [AMBER] Minimization of only certain atoms
(Tue Nov 15 2011 - 15:55:26 PST)
Re: [AMBER] problems of MMPBSA.py.MPI
(Mon Nov 14 2011 - 14:58:59 PST)
Re: [AMBER] mpirun
(Sat Nov 12 2011 - 07:52:45 PST)
Re: [AMBER] comparison failures in the Amber11 and AT15 test
(Fri Nov 11 2011 - 19:22:41 PST)
Re: [AMBER] bad atom type: Br
(Fri Nov 11 2011 - 19:20:41 PST)
Re: [AMBER] question about MMPBSA.py
(Fri Nov 11 2011 - 19:18:46 PST)
Re: [AMBER] AMBER 11 (Problem with the input format)
(Fri Nov 11 2011 - 10:13:12 PST)
Re: [AMBER] Passing the free-format flag to files in sander and nmode
(Thu Nov 10 2011 - 06:33:46 PST)
Re: [AMBER] Passing the free-format flag to files in sander and nmode
(Wed Nov 09 2011 - 21:51:49 PST)
Re: [AMBER] problem in solvation
(Wed Nov 09 2011 - 13:55:40 PST)
Re: [AMBER] calculate residue wise SASA
(Wed Nov 09 2011 - 08:34:25 PST)
Re: [AMBER] how to load atom type for divalent ions in leaprc.ff10?
(Tue Nov 08 2011 - 20:32:33 PST)
Re: [AMBER] Questions about LEaP: atom connect and delete hydrogen
(Tue Nov 08 2011 - 20:27:15 PST)
Re: [AMBER] AmberTools1.5 install problems on Mac OS X 10.7.2
(Tue Nov 08 2011 - 20:23:23 PST)
Re: [AMBER] AmberTools1.5 install problems on Mac OS X 10.7.2
(Tue Nov 08 2011 - 14:47:00 PST)
Re: [AMBER] entropy calculation
(Mon Nov 07 2011 - 22:39:48 PST)
Re: [AMBER] AMBER9 in GPU
(Mon Nov 07 2011 - 20:09:29 PST)
Re: [AMBER] How to keep Graphene sheet fixed during MD simulation.
(Mon Nov 07 2011 - 17:00:24 PST)
Re: [AMBER] problem of installation of amber 11 on ubuntu
(Mon Nov 07 2011 - 07:58:32 PST)
Re: [AMBER] Installation of amber11 on the latest Ubuntu 64bit
(Mon Nov 07 2011 - 07:53:57 PST)
Re: [AMBER] problem of installation of amber 11 on ubuntu
(Mon Nov 07 2011 - 05:45:55 PST)
Re: [AMBER] Problems with XLEAP
(Mon Nov 07 2011 - 05:44:47 PST)
Re: [AMBER] How to keep Graphene sheet fixed during MD simulation.
(Mon Nov 07 2011 - 05:42:27 PST)
Re: [AMBER] Installation of amber11 on the latest Ubuntu 64bit
(Mon Nov 07 2011 - 05:37:38 PST)
Re: [AMBER] MMPBSA.py: DELTA section missing in FINAL_DECOMP_MMPBSA.dat for dec_verbose=3
(Fri Nov 04 2011 - 14:28:40 PDT)
Re: [AMBER] MMPBSA.py: DELTA section missing in FINAL_DECOMP_MMPBSA.dat for dec_verbose=3
(Fri Nov 04 2011 - 13:00:41 PDT)
Re: [AMBER] Installation of MMPBSA.MPI should be clarified
(Fri Nov 04 2011 - 09:23:12 PDT)
Re: [AMBER] AmberTools 1.5 build fails due to undefined symbols in libnetcdf.a
(Thu Nov 03 2011 - 08:14:38 PDT)
Re: [AMBER] 1JFF Antechamber, LEaP problems
(Wed Nov 02 2011 - 14:36:17 PDT)
Re: [AMBER] test_amber_cuda.sh requires small fix
(Wed Nov 02 2011 - 12:03:27 PDT)
Re: [AMBER] test_amber_cuda.sh requires small fix
(Wed Nov 02 2011 - 10:27:41 PDT)
Re: [AMBER] AmberTools 1.5 build fails due to undefined symbols in libnetcdf.a
(Wed Nov 02 2011 - 08:12:21 PDT)
Re: [AMBER] Issue with running sander with SHAKE
(Tue Nov 01 2011 - 22:36:44 PDT)
Re: [AMBER] AmberTools 1.5 build fails due to undefined symbols in libnetcdf.a
(Tue Nov 01 2011 - 16:20:28 PDT)
Re: [AMBER] Issue with running sander with SHAKE
(Tue Nov 01 2011 - 14:49:23 PDT)
Re: [AMBER] distribution of selected water
(Tue Nov 01 2011 - 07:41:33 PDT)
Re: [AMBER] distribution of selected water
(Tue Nov 01 2011 - 07:19:46 PDT)
Re: [AMBER] Measurement of distance between residues forming Hydrogen bond
(Tue Nov 01 2011 - 07:15:09 PDT)
Re: [AMBER] cutoff in amber cuda
(Tue Nov 01 2011 - 07:09:34 PDT)
Jennifer Brookes
Re: [AMBER] addles "old coordinate file not specified"
(Wed Nov 09 2011 - 14:49:52 PST)
Re: [AMBER] addles "old coordinate file not specified"
(Wed Nov 09 2011 - 06:50:51 PST)
Re: [AMBER] addles "old coordinate file not specified"
(Tue Nov 08 2011 - 10:11:15 PST)
Re: [AMBER] addles "old coordinate file not specified"
(Mon Nov 07 2011 - 12:13:03 PST)
Re: [AMBER] addles "old coordinate file not specified"
(Mon Nov 07 2011 - 10:01:28 PST)
[AMBER] addles "old coordinate file not specified"
(Mon Nov 07 2011 - 09:25:50 PST)
Jenny C Brookes
Re: [AMBER] addles "old coordinate file not specified"
(Wed Nov 09 2011 - 08:06:04 PST)
Re: [AMBER] addles "old coordinate file not specified"
(Tue Nov 08 2011 - 10:16:41 PST)
Re: [AMBER] addles "old coordinate file not specified"
(Tue Nov 08 2011 - 08:10:59 PST)
Jin Yang
Re: [AMBER] About defining of a modified cytosine which is covalently bonded to the sulfer of cysteine
(Thu Nov 10 2011 - 07:36:31 PST)
[AMBER] About defining of a modified cytosine which is covalently bonded to the sulfer of cysteine
(Mon Nov 07 2011 - 11:16:50 PST)
Jio M
Re: [AMBER] top2mol2 charges output in mol2
(Tue Nov 29 2011 - 02:55:08 PST)
[AMBER] fwd: top2mol2 charges output in mol2: no reply
(Sun Nov 27 2011 - 21:58:34 PST)
Re: [AMBER] top2mol2 charges output in mol2
(Fri Nov 25 2011 - 11:49:30 PST)
[AMBER] top2mol2 charges output in mol2
(Fri Nov 25 2011 - 08:19:32 PST)
Jiri Sponer
Re: [AMBER] Stability of water force fields
(Tue Nov 22 2011 - 05:35:54 PST)
JiYuan Liu
Re: [AMBER] How MCPB add ligand withasmallmoleculein*_siderchain.bcl
(Tue Nov 29 2011 - 09:03:42 PST)
Re: [AMBER] How MCPB add ligand withasmallmoleculein*_siderchain.bcl
(Mon Nov 28 2011 - 19:47:18 PST)
Re: [AMBER] How MCPB add ligand with asmallmoleculein*_siderchain.bcl
(Mon Nov 28 2011 - 09:34:26 PST)
Re: [AMBER] How MCPB add ligand with a smallmoleculein*_siderchain.bcl
(Mon Nov 28 2011 - 04:26:24 PST)
Re: [AMBER] How MCPB add ligand with a small moleculein*_siderchain.bcl
(Wed Nov 23 2011 - 09:00:56 PST)
Re: [AMBER] How MCPB add ligand with a small moleculein*_siderchain.bcl
(Tue Nov 22 2011 - 20:24:26 PST)
Re: [AMBER] MCPB settings file
(Tue Nov 22 2011 - 06:58:35 PST)
Re: [AMBER] How MCPB add ligand with a small molecule in*_siderchain.bcl
(Tue Nov 22 2011 - 06:54:18 PST)
Re: [AMBER] How MCPB add ligand with a small molecule in*_siderchain.bcl
(Mon Nov 21 2011 - 18:20:11 PST)
Re: [AMBER] How MCPB add ligand with a small molecule in*_siderchain.bcl
(Mon Nov 21 2011 - 05:12:52 PST)
Re: [AMBER] Can't get the correct gaussian input name afterruned*_sidechain.bcl in MCPB
(Mon Nov 21 2011 - 05:05:55 PST)
Re: [AMBER] Can't get the correct gaussian input name after runed*_sidechain.bcl in MCPB
(Sun Nov 20 2011 - 20:33:30 PST)
Re: [AMBER] MCPB settings file
(Sun Nov 20 2011 - 06:38:02 PST)
Re: [AMBER] How MCPB add ligand with a small molecule in*_siderchain.bcl
(Sat Nov 19 2011 - 19:55:15 PST)
[AMBER] Can't get the correct gaussian input name after runed *_sidechain.bcl in MCPB
(Thu Nov 17 2011 - 23:12:33 PST)
Re: [AMBER] How MCPB add ligand with a small molecule in*_siderchain.bcl
(Thu Nov 17 2011 - 22:17:24 PST)
Re: [AMBER] MCPB settings file
(Thu Nov 17 2011 - 21:59:13 PST)
Jodi Ann Hadden
Re: [AMBER] Sufficient CPU cores/GPU ratio ?
(Tue Nov 29 2011 - 09:43:19 PST)
Jones de Andrade
Re: [AMBER] Parameters for Ionic liquids in AMBER
(Wed Nov 16 2011 - 13:20:04 PST)
Jorgen Simonsen
Re: [AMBER] installation of amberTools on lion fails
(Mon Nov 21 2011 - 12:41:22 PST)
Re: [AMBER] installation of amberTools on lion fails
(Mon Nov 21 2011 - 12:01:07 PST)
Re: [AMBER] installation of amberTools on lion fails
(Mon Nov 21 2011 - 11:32:55 PST)
Re: [AMBER] installation of amberTools on lion fails
(Mon Nov 21 2011 - 10:25:39 PST)
Re: [AMBER] installation of amberTools on lion fails
(Mon Nov 21 2011 - 07:37:19 PST)
[AMBER] installation of amberTools on lion fails
(Mon Nov 21 2011 - 06:47:36 PST)
Jose Borreguero
[AMBER] how to obtain NOEs from MD trajectory ?
(Tue Nov 22 2011 - 06:22:18 PST)
[AMBER] [SOLVED] Re: Compilation fail of amberTools 1.2 for amber10 support
(Wed Nov 16 2011 - 08:20:06 PST)
[AMBER] Compilation fail of amberTools 1.2 for amber10 support
(Wed Nov 16 2011 - 06:15:34 PST)
Re: [AMBER] ambertools 1.5 compiling ERROR: Return type mismatch of function 'cgalf' at (1) (REAL(8)/REAL(4))
(Tue Nov 15 2011 - 08:15:14 PST)
[AMBER] [SOLVED] Compiling trouble of AmberTools with intel compiler v12.1.0.
(Tue Nov 15 2011 - 07:07:37 PST)
[AMBER] ambertools 1.5 compiling ERROR: Return type mismatch of function 'cgalf' at (1) (REAL(8)/REAL(4))
(Tue Nov 15 2011 - 05:44:22 PST)
[AMBER] any fix so that I can compile AmberTools with gfortran 4.6.1?
(Thu Nov 10 2011 - 08:30:06 PST)
Joshua Adelman
Re: [AMBER] Differentially restraining backbone and sidechain atoms from Chamber generated prmtop
(Fri Nov 18 2011 - 05:46:25 PST)
[AMBER] Differentially restraining backbone and sidechain atoms from Chamber generated prmtop
(Thu Nov 17 2011 - 11:09:32 PST)
Josmar R. da Rocha
Re: [AMBER] how to speed up nmode calculation using MMPBSA.MPI?
(Tue Nov 22 2011 - 04:33:48 PST)
[AMBER] how to speed up nmode calculation using MMPBSA.MPI?
(Sun Nov 20 2011 - 18:51:03 PST)
Re: [AMBER] safemem.o error while compiling Ambertools 1.5
(Thu Nov 03 2011 - 06:49:34 PDT)
Juan Carlos
[AMBER] MD of a Ca2+ dependent interaction
(Wed Nov 23 2011 - 04:13:55 PST)
jun kit
Re: [AMBER] help with antechamber
(Sun Nov 27 2011 - 07:47:26 PST)
Re: [AMBER] help with antechamber
(Thu Nov 24 2011 - 08:17:52 PST)
Re: [AMBER] help with antechamber
(Wed Nov 23 2011 - 08:03:06 PST)
Re: [AMBER] help with antechamber
(Tue Nov 22 2011 - 18:14:42 PST)
Re: [AMBER] help with antechamber
(Tue Nov 22 2011 - 14:16:45 PST)
Re: [AMBER] help with antechamber
(Sun Nov 20 2011 - 12:32:38 PST)
[AMBER] help with antechamber
(Wed Nov 09 2011 - 10:45:01 PST)
K. Uebayashi
Re: [AMBER] Compiling trouble of AmberTools with intel compiler v12.1.0.
(Wed Nov 16 2011 - 22:06:13 PST)
[AMBER] Compiling trouble of AmberTools with intel compiler v12.1.0.
(Sun Nov 13 2011 - 22:51:29 PST)
kanika sharma
[AMBER] Sander
(Fri Nov 25 2011 - 03:09:23 PST)
Karl N. Kirschner
Re: [AMBER] Calculate charges using better method/basis set?
(Wed Nov 16 2011 - 07:53:13 PST)
Konrad Hinsen
[AMBER] Parameters for heme C
(Fri Nov 25 2011 - 02:31:38 PST)
kureeckal ramesh
[AMBER] antechamber error
(Tue Nov 29 2011 - 22:30:14 PST)
Lee Lior
[AMBER] sp3d hybridization
(Tue Nov 29 2011 - 05:21:02 PST)
leila karami
[AMBER] running of the sander in background in parallel state
(Sun Nov 27 2011 - 03:30:09 PST)
[AMBER] mpirun
(Tue Nov 22 2011 - 01:31:27 PST)
[AMBER] mpirun
(Wed Nov 16 2011 - 03:12:39 PST)
[AMBER] mpirun
(Sat Nov 12 2011 - 07:01:35 PST)
[AMBER] mpirun
(Sat Nov 12 2011 - 06:22:42 PST)
Lekpa Duukori
[AMBER] Phi/psi to free energies
(Fri Nov 11 2011 - 08:23:36 PST)
Li, Yawen (MU-Student)
[AMBER] how to add new groups to all_amino94.in
(Fri Nov 18 2011 - 09:20:33 PST)
liu junjun
Re: [AMBER] clustering analysis in ptraj takes too long time
(Tue Nov 22 2011 - 05:49:51 PST)
[AMBER] clustering analysis in ptraj takes too long time
(Tue Nov 22 2011 - 02:07:00 PST)
M. L. Dodson
Re: [AMBER] how to add new groups to all_amino94.in
(Sun Nov 20 2011 - 11:03:25 PST)
Re: [AMBER] how to add new groups to all_amino94.in
(Sun Nov 20 2011 - 09:03:30 PST)
Re: [AMBER] how to add new groups to all_amino94.in
(Sun Nov 20 2011 - 08:59:20 PST)
Re: [AMBER] leap cannot read MOL2 file that it has written before: small fix suggested
(Fri Nov 11 2011 - 07:00:38 PST)
Re: [AMBER] leap cannot read MOL2 file that it has written before: small fix suggested
(Thu Nov 10 2011 - 15:35:10 PST)
Re: [AMBER] leap cannot read MOL2 file that it has written before: small fix suggested
(Thu Nov 10 2011 - 13:50:09 PST)
Re: [AMBER] leap cannot read MOL2 file that it has written before: small fix suggested
(Thu Nov 10 2011 - 13:30:19 PST)
Re: [AMBER] leap cannot read MOL2 file that it has written before: small fix suggested
(Thu Nov 10 2011 - 13:09:35 PST)
M. Reza Ganjalikhany
[AMBER] Calculation of free energy of solvation
(Sun Nov 27 2011 - 20:29:05 PST)
Re: [AMBER] MMPBSA
(Fri Nov 25 2011 - 12:41:08 PST)
[AMBER] MMPBSA
(Fri Nov 25 2011 - 04:47:37 PST)
madhumita das
Re: [AMBER] Membrane building
(Sat Nov 19 2011 - 04:00:50 PST)
[AMBER] Membrane building
(Tue Nov 08 2011 - 09:05:32 PST)
manikanthan bhavaraju
Re: [AMBER] PB Bomb in pb_atmlist(): maxnba too short
(Tue Nov 01 2011 - 18:06:53 PDT)
Re: [AMBER] PB Bomb in pb_atmlist(): maxnba too short
(Tue Nov 01 2011 - 17:58:03 PDT)
Re: [AMBER] PB Bomb in pb_atmlist(): maxnba too short
(Tue Nov 01 2011 - 12:41:04 PDT)
[AMBER] PB Bomb in pb_atmlist(): maxnba too short
(Tue Nov 01 2011 - 11:47:30 PDT)
Marc Baaden
[AMBER] apologies for an error
(Mon Nov 07 2011 - 23:58:17 PST)
[AMBER] Recent mails
(Mon Nov 07 2011 - 23:48:20 PST)
Marc van der Kamp
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
(Wed Nov 30 2011 - 09:51:56 PST)
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
(Wed Nov 30 2011 - 09:27:00 PST)
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
(Wed Nov 30 2011 - 05:36:40 PST)
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
(Tue Nov 29 2011 - 07:07:47 PST)
Re: [AMBER] adding a phosphate group to a protein
(Mon Nov 28 2011 - 01:08:14 PST)
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
(Thu Nov 24 2011 - 09:16:39 PST)
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
(Thu Nov 24 2011 - 04:20:24 PST)
[AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
(Thu Nov 24 2011 - 02:10:05 PST)
Marek Maly
Re: [AMBER] Sufficient CPU cores/GPU ratio ?
(Wed Nov 30 2011 - 14:39:37 PST)
Re: [AMBER] Sufficient CPU cores/GPU ratio ?
(Tue Nov 29 2011 - 15:39:05 PST)
Re: [AMBER] 2 traj approach using MMPBSA.py ?
(Mon Nov 21 2011 - 03:04:23 PST)
[AMBER] 2 traj approach using MMPBSA.py ?
(Fri Nov 18 2011 - 08:34:54 PST)
Mark Williamson
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
(Thu Nov 24 2011 - 05:30:55 PST)
Re: [AMBER] Differentially restraining backbone and sidechain atoms from Chamber generated prmtop
(Fri Nov 18 2011 - 01:52:51 PST)
Re: [AMBER] Compiling trouble of AmberTools with intel compiler v12.1.0.
(Tue Nov 15 2011 - 07:04:56 PST)
Martin Peters
Re: [AMBER] Can't get the correct gaussian input name after runed*_sidechain.bcl in MCPB
(Mon Nov 21 2011 - 00:43:24 PST)
Re: [AMBER] problems with MCBP parametrization
(Fri Nov 18 2011 - 09:20:50 PST)
Re: [AMBER] Can't get the correct gaussian input name after runed *_sidechain.bcl in MCPB
(Fri Nov 18 2011 - 09:15:51 PST)
Massimiliano Bonomi
[AMBER] PLUMED release 1.3 available
(Wed Nov 09 2011 - 07:11:50 PST)
Massimiliano Porrini
[AMBER] D-N-Sulfate-glucosamine net charge
(Wed Nov 30 2011 - 11:23:58 PST)
Matthew D Antalek
Re: [AMBER] 1JFF Antechamber, LEaP problems
(Sun Nov 06 2011 - 18:47:45 PST)
Re: [AMBER] 1JFF Antechamber, LEaP problems
(Wed Nov 02 2011 - 15:37:37 PDT)
Re: [AMBER] 1JFF Antechamber, LEaP problems
(Wed Nov 02 2011 - 14:54:35 PDT)
Re: [AMBER] 1JFF Antechamber, LEaP problems
(Wed Nov 02 2011 - 14:23:38 PDT)
Matthew Tessier
Re: [AMBER] D-N-Sulfate-glucosamine net charge
(Wed Nov 30 2011 - 13:07:40 PST)
Michael Sternberg
Re: [AMBER] Passing the free-format flag to files in sander and nmode
(Fri Nov 11 2011 - 08:01:50 PST)
[AMBER] MKL: lib dir name changed for 64bit version
(Fri Nov 11 2011 - 07:50:23 PST)
Re: [AMBER] global build; was: Passing the free-format flag to files in sander and nmode
(Fri Nov 11 2011 - 07:42:36 PST)
Re: [AMBER] Passing the free-format flag to files in sander and nmode
(Thu Nov 10 2011 - 00:03:25 PST)
Re: [AMBER] separate build and install dirs?
(Wed Nov 09 2011 - 12:49:03 PST)
Re: [AMBER] separate build and install dirs?
(Wed Nov 09 2011 - 09:31:02 PST)
[AMBER] separate build and install dirs?
(Mon Nov 07 2011 - 15:01:19 PST)
najmul arfin
[AMBER] H-Bond problem
(Wed Nov 16 2011 - 08:24:50 PST)
Neha Gandhi
[AMBER] cutoff in amber cuda
(Mon Oct 31 2011 - 19:23:34 PDT)
Oliver Grant
Re: [AMBER] amber99sb in AMBER vs amber99sb in GROMACS or NAMD
(Tue Nov 22 2011 - 02:01:43 PST)
Ozen, Aysegul
[AMBER] using AmberTools on Desmond trajectories
(Wed Nov 02 2011 - 15:48:52 PDT)
pancham lal gupta
Re: [AMBER] please help me
(Wed Nov 02 2011 - 03:21:42 PDT)
Pavan Giovanni
Re: [AMBER] R: problem with pmemd.cuda
(Fri Nov 11 2011 - 10:36:45 PST)
Re: [AMBER] problem with pmemd.cuda
(Wed Nov 09 2011 - 11:06:46 PST)
Re: [AMBER] Problems with XLEAP
(Tue Nov 01 2011 - 04:33:40 PDT)
Re: [AMBER] Problems with XLEAP
(Tue Nov 01 2011 - 03:51:15 PDT)
peker milas
Re: [AMBER] post MD energy calculations
(Wed Nov 02 2011 - 10:35:05 PDT)
[AMBER] post MD energy calculations
(Wed Nov 02 2011 - 09:39:19 PDT)
Peter Winn
Re: [AMBER] Softcore TI.
(Wed Nov 02 2011 - 07:57:29 PDT)
[AMBER] Softcore TI.
(Wed Nov 02 2011 - 05:36:16 PDT)
Petit, Chad
[AMBER] adding a phosphate group to a protein
(Sun Nov 27 2011 - 18:07:09 PST)
Puspita Halder
Re: [AMBER] Problem running Ptraj with CHARMM psf and dcd trajectory file
(Tue Nov 29 2011 - 21:08:36 PST)
[AMBER] Problem running Ptraj with CHARMM psf and dcd trajectory file
(Thu Nov 24 2011 - 22:28:07 PST)
qiao xue
[AMBER] Some questions of cluster analysis
(Sat Nov 05 2011 - 08:31:50 PDT)
[AMBER] Some questions in cluster output
(Wed Nov 02 2011 - 19:52:31 PDT)
Qin Cai
Re: [AMBER] Fwd: error by running MMPBSa
(Wed Nov 30 2011 - 17:25:53 PST)
Qinghua Liao
Re: [AMBER] parameters in mm/pbsa calculations
(Wed Nov 23 2011 - 05:57:20 PST)
Re: [AMBER] parameters in mm/pbsa calculations
(Wed Nov 23 2011 - 05:08:56 PST)
[AMBER] parameters in mm/pbsa calculations
(Wed Nov 23 2011 - 04:45:42 PST)
Re: [AMBER] binding energy calculated by mm_pbsa.pl
(Mon Nov 21 2011 - 23:23:17 PST)
Re: [AMBER] binding energy calculated by mm_pbsa.pl
(Sun Nov 20 2011 - 07:34:32 PST)
[AMBER] binding energy calculated by mm_pbsa.pl
(Sun Nov 20 2011 - 00:10:18 PST)
[AMBER] bonds problem in leap
(Fri Nov 18 2011 - 05:32:16 PST)
Re: [AMBER] problem in leap
(Wed Nov 16 2011 - 12:17:34 PST)
[AMBER] problem in leap
(Wed Nov 16 2011 - 01:16:29 PST)
Re: [AMBER] problems of MMPBSA.py.MPI
(Mon Nov 14 2011 - 23:37:34 PST)
[AMBER] problems of MMPBSA.py.MPI
(Mon Nov 14 2011 - 12:54:03 PST)
Re: [AMBER] problem of generating prmtop and inpcrd files of a small molecule attached with several amino acids
(Fri Nov 11 2011 - 03:06:00 PST)
Re: [AMBER] problem of generating prmtop and inpcrd files of a small molecule attached with several amino acids
(Thu Nov 10 2011 - 11:00:32 PST)
[AMBER] problem of generating prmtop and inpcrd files of a small molecule attached with several amino acids
(Thu Nov 10 2011 - 05:20:43 PST)
Re: [AMBER] Installation of amber11 on the latest Ubuntu 64bit
(Mon Nov 07 2011 - 14:20:56 PST)
Re: [AMBER] Installation of amber11 on the latest Ubuntu 64bit
(Mon Nov 07 2011 - 07:29:55 PST)
Re: [AMBER] problem of installation of amber 11 on ubuntu
(Mon Nov 07 2011 - 07:07:51 PST)
Re: [AMBER] Installation of amber11 on the latest Ubuntu 64bit
(Mon Nov 07 2011 - 06:38:17 PST)
Re: [AMBER] Installation of amber11 on the latest Ubuntu 64bit
(Mon Nov 07 2011 - 06:33:42 PST)
Re: [AMBER] problem of installation of amber 11 on ubuntu
(Mon Nov 07 2011 - 06:24:33 PST)
[AMBER] problem of installation of amber 11 on ubuntu
(Mon Nov 07 2011 - 05:22:34 PST)
[AMBER] Installation of amber11 on the latest Ubuntu 64bit
(Mon Nov 07 2011 - 05:19:46 PST)
[AMBER] problem of installation of amber 11 on ubuntu
(Mon Nov 07 2011 - 00:10:28 PST)
[AMBER] Installation of amber11 on the latest Ubuntu 64bit
(Sun Nov 06 2011 - 23:43:00 PST)
raghav singh
[AMBER] Creating i-motif (cruciform DNA) using NAB??
(Wed Nov 02 2011 - 11:17:46 PDT)
Raik Grünberg
Re: [AMBER] CCYX not recognized by ff03 in tleap
(Thu Nov 24 2011 - 07:53:01 PST)
Re: [AMBER] CCYX not recognized by ff03 in tleap
(Wed Nov 23 2011 - 20:59:43 PST)
[AMBER] CCYX not recognized by ff03 in tleap
(Wed Nov 23 2011 - 13:13:07 PST)
rameshwar prajapati
Re: [AMBER] R: how to prepare 4:4:1 methanol-chloroform-water mixture
(Mon Nov 28 2011 - 03:45:41 PST)
[AMBER] how to prepare 4:4:1 methanol–chloroform–water mixture
(Sun Nov 27 2011 - 09:35:00 PST)
Ray Luo, Ph.D.
[AMBER] Fwd: error by running MMPBSa
(Wed Nov 30 2011 - 15:59:28 PST)
[AMBER] Fwd: error by running MMPBSa
(Wed Nov 30 2011 - 09:42:40 PST)
Re: [AMBER] parameters in mm/pbsa calculations
(Wed Nov 23 2011 - 10:31:14 PST)
Re: [AMBER] binding energy calculated by mm_pbsa.pl
(Mon Nov 21 2011 - 10:08:26 PST)
Re: [AMBER] binding energy calculated by mm_pbsa.pl
(Sun Nov 20 2011 - 07:00:59 PST)
Re: [AMBER] mm_pbsa error
(Sat Nov 05 2011 - 14:08:14 PDT)
Re: [AMBER] PB Bomb in pb_atmlist(): maxnba too short
(Wed Nov 02 2011 - 17:10:08 PDT)
Re: [AMBER] PB Bomb in pb_atmlist(): maxnba too short
(Tue Nov 01 2011 - 21:04:04 PDT)
Re: [AMBER] PB Bomb in pb_atmlist(): maxnba too short
(Tue Nov 01 2011 - 18:02:53 PDT)
Re: [AMBER] PB Bomb in pb_atmlist(): maxnba too short
(Tue Nov 01 2011 - 17:50:50 PDT)
ros
Re: [AMBER] question on antechamber generating parameters for a charged ligand
(Fri Nov 25 2011 - 07:17:05 PST)
Re: [AMBER] Ca(2+) LJ parameters
(Sun Nov 13 2011 - 19:29:47 PST)
Ross Walker
Re: [AMBER] error in MD simulation
(Wed Nov 30 2011 - 20:09:25 PST)
Re: [AMBER] CUDA NaN error occuring at "wrapping first mol"
(Wed Nov 30 2011 - 20:01:28 PST)
Re: [AMBER] CUDA NaN error occuring at "wrapping first mol"
(Wed Nov 30 2011 - 17:26:29 PST)
Re: [AMBER] Sufficient CPU cores/GPU ratio ?
(Wed Nov 30 2011 - 14:31:00 PST)
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
(Tue Nov 29 2011 - 10:23:55 PST)
Re: [AMBER] running of the sander in background in parallel state
(Mon Nov 28 2011 - 10:16:48 PST)
Re: [AMBER] compiling pmemd in amber9
(Fri Nov 18 2011 - 10:28:05 PST)
Re: [AMBER] Select cuda ID device in PMEMD
(Fri Nov 18 2011 - 09:41:13 PST)
Re: [AMBER] Select cuda ID device in PMEMD
(Thu Nov 17 2011 - 21:19:22 PST)
Re: [AMBER] Select cuda ID device in PMEMD
(Thu Nov 17 2011 - 21:10:13 PST)
Re: [AMBER] "force field" vs. "potential"
(Mon Nov 14 2011 - 11:24:28 PST)
Re: [AMBER] Calculate charges using better method/basis set?
(Mon Nov 14 2011 - 10:36:14 PST)
Re: [AMBER] Calculate charges using better method/basis set?
(Mon Nov 14 2011 - 09:23:43 PST)
Re: [AMBER] R: problem with pmemd.cuda
(Thu Nov 10 2011 - 20:53:49 PST)
Re: [AMBER] nmropt modes for GPU accelerated pmemd 11
(Thu Nov 10 2011 - 07:15:53 PST)
Re: [AMBER] problem with pmemd.cuda
(Wed Nov 09 2011 - 09:10:44 PST)
[AMBER] AMBER Survey C2075 Winners
(Mon Nov 07 2011 - 16:36:28 PST)
Re: [AMBER] crashed run and time estimate
(Fri Nov 04 2011 - 22:49:25 PDT)
Re: [AMBER] bashrc problems
(Fri Nov 04 2011 - 11:31:40 PDT)
Re: [AMBER] test_amber_cuda.sh requires small fix
(Wed Nov 02 2011 - 11:14:27 PDT)
Re: [AMBER] Softcore TI.
(Wed Nov 02 2011 - 07:37:08 PDT)
Re: [AMBER] AmberTools 1.5 build fails due to undefined symbols in libnetcdf.a
(Tue Nov 01 2011 - 14:49:01 PDT)
Re: [AMBER] cutoff in amber cuda
(Tue Nov 01 2011 - 08:58:53 PDT)
Sai Kumar Ramadugu
[AMBER] Spherical Coordinates & Pulling Ligand
(Thu Nov 17 2011 - 09:09:25 PST)
[AMBER] ncsu_pmd and ncsu_smd
(Wed Nov 16 2011 - 17:26:25 PST)
[AMBER] pulling the ligand in different directions
(Wed Nov 16 2011 - 10:09:34 PST)
Sangita Kachhap
Re: [AMBER] entropy calculation
(Tue Nov 08 2011 - 04:31:33 PST)
Re: [AMBER] entropy calculation
(Tue Nov 08 2011 - 01:05:25 PST)
[AMBER] entropy calculation
(Mon Nov 07 2011 - 22:27:38 PST)
Sarah Edwards
Re: [AMBER] Two LMOD questions
(Fri Nov 04 2011 - 14:39:19 PDT)
[AMBER] Two LMOD questions
(Thu Nov 03 2011 - 12:11:23 PDT)
Sasha Perkins
Re: [AMBER] Using nrespa with NPT
(Sun Nov 27 2011 - 08:58:10 PST)
[AMBER] Using nrespa with NPT
(Sat Nov 26 2011 - 14:40:33 PST)
Scott Le Grand
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
(Wed Nov 30 2011 - 21:12:40 PST)
Re: [AMBER] Sufficient CPU cores/GPU ratio ?
(Tue Nov 29 2011 - 13:16:01 PST)
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
(Tue Nov 29 2011 - 09:53:20 PST)
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
(Tue Nov 29 2011 - 09:51:36 PST)
Re: [AMBER] R: problem with pmemd.cuda
(Thu Nov 10 2011 - 15:23:08 PST)
Re: [AMBER] problem with pmemd.cuda
(Wed Nov 09 2011 - 16:17:23 PST)
Re: [AMBER] problem with pmemd.cuda
(Wed Nov 09 2011 - 12:50:23 PST)
Senthil Natesan
Re: [AMBER] problem in solvation
(Wed Nov 09 2011 - 14:20:30 PST)
Re: [AMBER] problem in solvation
(Wed Nov 09 2011 - 11:22:42 PST)
Re: [AMBER] problem in solvation
(Wed Nov 09 2011 - 11:11:50 PST)
Re: [AMBER] problem in solvation
(Wed Nov 09 2011 - 04:59:39 PST)
Re: [AMBER] problem in solvation
(Tue Nov 08 2011 - 14:51:00 PST)
Re: [AMBER] problem in solvation
(Tue Nov 08 2011 - 11:04:01 PST)
Re: [AMBER] problem in solvation
(Tue Nov 08 2011 - 10:18:42 PST)
[AMBER] problem in solvation
(Tue Nov 08 2011 - 09:24:50 PST)
serobian.a.student.unsw.edu.au
Re: [AMBER] nmropt modes for GPU accelerated pmemd 11
(Thu Nov 10 2011 - 15:21:40 PST)
Seungyeul Yoo
[AMBER] Segmentation fault in ptraj clustering
(Fri Nov 04 2011 - 12:17:56 PDT)
Shesh Nath
[AMBER] AMBER
(Wed Nov 09 2011 - 02:20:28 PST)
Sidney Elmer
[AMBER] question about MMPBSA.py
(Fri Nov 11 2011 - 15:42:18 PST)
Soma Ghosh
[AMBER] MCPB execution error (repeat mail)
(Tue Nov 29 2011 - 06:36:45 PST)
[AMBER] MCPB execution error
(Sun Nov 27 2011 - 22:01:31 PST)
[AMBER] frcmod file for metal-amino acid complex
(Tue Nov 22 2011 - 03:42:12 PST)
[AMBER] generating frcmod files
(Fri Nov 18 2011 - 09:51:07 PST)
steinbrt.rci.rutgers.edu
Re: [AMBER] amber - TUTORIAL A9
(Wed Nov 30 2011 - 08:20:53 PST)
Re: [AMBER] amber - TUTORIAL A9
(Wed Nov 30 2011 - 04:29:34 PST)
Re: [AMBER] Softcore TI. now with data!
(Thu Nov 03 2011 - 03:39:47 PDT)
Re: [AMBER] Softcore TI.
(Wed Nov 02 2011 - 08:51:39 PDT)
Re: [AMBER] Softcore TI.
(Wed Nov 02 2011 - 07:15:24 PDT)
subrata paul
[AMBER] Order parameter
(Sat Nov 19 2011 - 05:48:26 PST)
[AMBER] msd
(Fri Nov 11 2011 - 22:34:06 PST)
Sudeep Narayan Banerjee
Re: [AMBER] mpirun
(Mon Nov 14 2011 - 21:50:52 PST)
Tales Yuan
Re: [AMBER] Questions about LEaP: atom connect and delete hydrogen
(Wed Nov 09 2011 - 05:35:26 PST)
[AMBER] Questions about LEaP: atom connect and delete hydrogen
(Tue Nov 08 2011 - 19:06:03 PST)
Thomas Cheatham
Re: [AMBER] Some questions of cluster analysis
(Sun Nov 06 2011 - 14:48:20 PST)
Thomas Cheatham III
Re: [AMBER] ptraj atomic fluctuation analysis
(Tue Nov 29 2011 - 09:50:28 PST)
Re: [AMBER] using AmberTools on Desmond trajectories
(Wed Nov 02 2011 - 16:16:09 PDT)
Re: [AMBER] RMSD of one atom
(Tue Nov 01 2011 - 10:38:04 PDT)
Thomas Evangelidis
[AMBER] amber99sb in AMBER vs amber99sb in GROMACS or NAMD
(Mon Nov 21 2011 - 12:00:50 PST)
thomas.fox.boehringer-ingelheim.com
[AMBER] leap problem: TER cards disappearing
(Tue Nov 29 2011 - 06:33:40 PST)
Tomáš Kučera
[AMBER] how to calculate interaction surface in time
(Thu Nov 17 2011 - 03:03:08 PST)
Tong Zhu
[AMBER] alpha helix structure consist of Alanine
(Wed Nov 23 2011 - 06:47:45 PST)
Tyler Luchko
Re: [AMBER] compilation of Amber Tools 1.5 with GCC 4.6.2 with "-nopython"
(Tue Nov 22 2011 - 13:07:00 PST)
Urszula Uciechowska
Re: [AMBER] error by running MMPBSa
(Wed Nov 30 2011 - 06:12:31 PST)
[AMBER] error by running MMPBSa
(Wed Nov 30 2011 - 05:16:40 PST)
[AMBER] atom types error
(Mon Nov 28 2011 - 23:15:29 PST)
[AMBER] pdb file with a covalently linked nerve agent
(Mon Nov 28 2011 - 05:45:49 PST)
[AMBER] question to R.E.D server
(Thu Nov 17 2011 - 05:20:26 PST)
Re: [AMBER] parameters for anchor-modified glycopeptides
(Mon Nov 07 2011 - 01:58:39 PST)
Re: [AMBER] parameters for anchor-modified glycopeptides
(Fri Nov 04 2011 - 02:29:32 PDT)
Re: [AMBER] problems in reading molecule in tleap/xleap
(Fri Nov 04 2011 - 01:57:32 PDT)
[AMBER] problems in reading molecule in tleap/xleap
(Thu Nov 03 2011 - 05:28:20 PDT)
Re: [AMBER] parameters for anchor-modified glycopeptides
(Wed Nov 02 2011 - 05:15:50 PDT)
Re: [AMBER] parameters for anchor-modified glycopeptides
(Tue Nov 01 2011 - 07:53:03 PDT)
Re: [AMBER] parameters for anchor-modified glycopeptides
(Tue Nov 01 2011 - 06:27:02 PDT)
Re: [AMBER] parameters for anchor-modified glycopeptides
(Tue Nov 01 2011 - 01:49:48 PDT)
vaibhav dixit
Re: [AMBER] dynamics of isotopically labelled proteins
(Mon Nov 21 2011 - 08:33:04 PST)
Re: [AMBER] dynamics of isotopically labelled proteins
(Mon Nov 21 2011 - 07:34:11 PST)
[AMBER] dynamics of isotopically labelled proteins
(Mon Nov 21 2011 - 00:27:17 PST)
Victor Ma
Re: [AMBER] how to load atom type for divalent ions in leaprc.ff10?
(Tue Nov 08 2011 - 09:23:00 PST)
Re: [AMBER] how to load atom type for divalent ions in leaprc.ff10?
(Tue Nov 01 2011 - 11:09:51 PDT)
Re: [AMBER] how to load atom type for divalent ions in leaprc.ff10?
(Tue Nov 01 2011 - 08:28:15 PDT)
Vijay Manickam Achari
[AMBER] compiling pmemd in amber9
(Thu Nov 17 2011 - 17:08:00 PST)
[AMBER] compilation openmpi FAIL for AMBER9
(Wed Nov 16 2011 - 03:36:40 PST)
Re: [AMBER] Installing AMBER9 in SGI_ALTIX-XE1300 - need some help
(Wed Nov 16 2011 - 00:08:44 PST)
[AMBER] Installing AMBER9 in SGI_ALTIX-XE1300 - need some help
(Tue Nov 15 2011 - 00:55:58 PST)
[AMBER] AMBER9 in GPU
(Mon Nov 07 2011 - 20:01:29 PST)
Vlad Cojocaru
Re: [AMBER] glibc error while running Xleap
(Wed Nov 30 2011 - 09:17:27 PST)
Re: [AMBER] glibc error while running Xleap
(Wed Nov 30 2011 - 02:04:42 PST)
Re: [AMBER] glibc error while running Xleap
(Wed Nov 30 2011 - 01:42:56 PST)
Re: [AMBER] glibc error while running Xleap
(Tue Nov 29 2011 - 07:03:55 PST)
[AMBER] glibc error while running Xleap
(Mon Nov 28 2011 - 04:53:04 PST)
Re: [AMBER] compilation of Amber Tools 1.5 with GCC 4.6.2 with "-nopython"
(Tue Nov 22 2011 - 14:38:59 PST)
[AMBER] compilation of Amber Tools 1.5 with GCC 4.6.2 with "-nopython"
(Tue Nov 22 2011 - 12:55:55 PST)
Re: [AMBER] AmberTools 1.5 compilation: Error importing cpinutil.py python modules! cpinutil will not work
(Tue Nov 22 2011 - 11:16:02 PST)
Re: [AMBER] AmberTools 1.5 compilation: Error importing cpinutil.py python modules! cpinutil will not work
(Tue Nov 22 2011 - 11:11:11 PST)
Re: [AMBER] AmberTools 1.5 compilation: Error importing cpinutil.py python modules! cpinutil will not work
(Tue Nov 22 2011 - 08:02:02 PST)
Re: [AMBER] AmberTools 1.5 compilation: Error importing cpinutil.py python modules! cpinutil will not work
(Tue Nov 22 2011 - 06:28:24 PST)
Re: [AMBER] AmberTools 1.5 compilation: Error importing cpinutil.py python modules! cpinutil will not work
(Tue Nov 22 2011 - 06:00:02 PST)
[AMBER] AmberTools 1.5 compilation: Error importing cpinutil.py python modules! cpinutil will not work
(Tue Nov 22 2011 - 02:27:22 PST)
Re: [AMBER] Membrane building
(Sat Nov 19 2011 - 05:22:38 PST)
Volker Lesch
[AMBER] Segmentation fault - LeAP - Ring structure
(Fri Nov 18 2011 - 05:45:33 PST)
wrong string
[AMBER] Visualization of Cluster analysis results
(Fri Nov 04 2011 - 22:42:47 PDT)
Xiao Chen
Re: [AMBER] calculate residue wise SASA
(Wed Nov 09 2011 - 01:17:36 PST)
[AMBER] calculate residue wise SASA
(Tue Nov 08 2011 - 21:08:13 PST)
Xiaozhou Li
Re: [AMBER] Protein structure heating into a mess
(Mon Nov 07 2011 - 09:33:43 PST)
[AMBER] Protein structure heating into a mess
(Mon Nov 07 2011 - 09:18:13 PST)
Yang, Yue
Re: [AMBER] problems with MCBP parametrization
(Fri Nov 18 2011 - 12:25:41 PST)
Yao Yao
[AMBER] mdrun continuation
(Mon Nov 28 2011 - 18:52:15 PST)
[AMBER] crashed run and time estimate
(Fri Nov 04 2011 - 17:52:52 PDT)
Yong Duan
Re: [AMBER] error in MD simulation
(Wed Nov 30 2011 - 22:31:14 PST)
Re: [AMBER] Fwd: Issue with running sander with SHAKE
(Sun Nov 27 2011 - 11:02:57 PST)
Re: [AMBER] ANTECHAMBER: fatal error
(Sat Nov 26 2011 - 12:36:44 PST)
Re: [AMBER] Fwd: Issue with running sander with SHAKE
(Sat Nov 26 2011 - 12:28:32 PST)
Re: [AMBER] 2-d PMF calculation with REMD
(Fri Nov 25 2011 - 10:40:07 PST)
Yun Shi
[AMBER] cis conformation of amino acid
(Tue Nov 29 2011 - 08:56:44 PST)
[AMBER] cutoff distance again
(Sat Nov 26 2011 - 11:09:38 PST)
[AMBER] how to use ptraj to convert trajectory files?
(Sun Nov 13 2011 - 11:06:14 PST)
ÏéÇ« ¿×
[AMBER] Pre-equilibrium of REMD simulations
(Mon Nov 14 2011 - 06:15:57 PST)
Алексей Раевский
Re: [AMBER] antechamber solvent
(Mon Nov 28 2011 - 07:51:08 PST)
[AMBER] antechamber solvent
(Mon Nov 28 2011 - 02:11:05 PST)
刘吉元
[AMBER] Got a mistake with 3H68_OH_large.bcl
(Thu Nov 17 2011 - 05:54:18 PST)
[AMBER] How MCPB add ligand with a small molecule in *_siderchain.bcl
(Mon Nov 14 2011 - 19:15:37 PST)
[AMBER] MCPB settings file
(Sun Nov 13 2011 - 21:47:57 PST)
[AMBER] MN2+ ion protein can't be dealed with MCPB
(Sun Nov 13 2011 - 01:33:41 PST)
[AMBER] MN2+ ion protein can't be dealed with MCPB
(Tue Nov 08 2011 - 06:19:33 PST)
[AMBER] About Mn2+ parameters in amber
(Sun Nov 06 2011 - 20:14:48 PST)
Last message date
:
Wed Nov 30 2011 - 23:00:03 PST
Archived on
: Fri Nov 22 2024 - 05:54:25 PST
834 messages
sort by
: [
thread
] [ author ] [
date
] [
subject
] [
attachment
]
Custom Search
