Amber Archive Jan 2010 by author
526 messages
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Starting
Thu Dec 31 2009 - 21:00:03 PST,
Ending
Sun Jan 31 2010 - 15:30:03 PST
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#ZHAO LINA#
RE: [AMBER] workshop
(Wed Jan 27 2010 - 06:28:38 PST)
Alan
Re: [AMBER] The RESP program
(Mon Jan 18 2010 - 06:17:18 PST)
Re: [AMBER] sqm failed to fail
(Thu Jan 14 2010 - 07:30:42 PST)
[AMBER] sqm failed to fail
(Thu Jan 14 2010 - 04:12:54 PST)
Re: [AMBER] The unperturbed charge of the unit: 0.010000 is not integral.
(Tue Jan 12 2010 - 10:02:17 PST)
[AMBER] The unperturbed charge of the unit: 0.010000 is not integral.
(Tue Jan 12 2010 - 05:56:23 PST)
Andrew Voronkov
Re: RE: [AMBER] How to avoid Zn parametrization?
(Mon Jan 18 2010 - 04:25:49 PST)
Re: RE: [AMBER] How to avoid Zn parametrization?
(Mon Jan 18 2010 - 01:32:05 PST)
[AMBER] question on exact ionic strength format and some questions on other GB calculations parameters
(Fri Jan 15 2010 - 07:21:05 PST)
Re: Re: RE: [AMBER] How to avoid Zn parametrization?
(Thu Jan 14 2010 - 12:59:53 PST)
Re: RE: [AMBER] How to avoid Zn parametrization?
(Thu Jan 14 2010 - 05:17:40 PST)
Re: Re: [AMBER] PTRAJ clustering atom /hetatm problem
(Thu Jan 14 2010 - 01:13:20 PST)
Re: RE: [AMBER] How to avoid Zn parametrization?
(Thu Jan 14 2010 - 01:08:48 PST)
[AMBER] How to avoid Zn parametrization?
(Wed Jan 13 2010 - 02:10:36 PST)
[AMBER] PTRAJ clustering atom /hetatm problem
(Tue Jan 12 2010 - 08:50:40 PST)
Re: Re: [AMBER] non standart residue library creation with tleap (Zn atom)
(Fri Jan 08 2010 - 01:09:39 PST)
Re: Re: [AMBER] ptraj usage for clustering of protein ensembles manual or tutorial
(Mon Jan 04 2010 - 13:33:23 PST)
Anna Reymer
RE: [AMBER] workshop
(Wed Jan 27 2010 - 23:44:25 PST)
Anselm Horn
Re: [AMBER] Problems while working with Phosphothreonine
(Wed Jan 27 2010 - 05:01:57 PST)
Antonija Tomić
Re: [AMBER] tleap N and C terminal
(Wed Jan 27 2010 - 04:52:13 PST)
[AMBER] tleap N and C terminal
(Wed Jan 27 2010 - 03:46:29 PST)
Re: [AMBER] test.MMPBSA_Nmode
(Tue Jan 26 2010 - 01:17:41 PST)
Re: [AMBER] test.MMPBSA_Nmode
(Mon Jan 25 2010 - 01:58:17 PST)
[AMBER] test.MMPBSA_Nmode
(Fri Jan 22 2010 - 03:01:21 PST)
Antonios Samiotakis
Re: [AMBER] URE residue not recognized in xleap
(Mon Jan 25 2010 - 15:14:31 PST)
Re: [AMBER] URE residue not recognized in xleap
(Mon Jan 25 2010 - 12:11:33 PST)
Re: [AMBER] URE residue not recognized in xleap
(Mon Jan 25 2010 - 09:41:51 PST)
[AMBER] URE residue not recognized in xleap
(Mon Jan 25 2010 - 09:06:08 PST)
Anuradha Mittal
[AMBER] mm-pbsa error
(Tue Jan 05 2010 - 19:39:57 PST)
babak minoofar
[AMBER] Slab
(Tue Jan 19 2010 - 04:08:58 PST)
Ben Roberts
Re: [AMBER] pupil and amber
(Thu Jan 14 2010 - 07:19:06 PST)
ben rodriguez
[AMBER] AmberTools 1.3, Intel 11.0, on Ubuntu fails?
(Fri Jan 29 2010 - 20:19:11 PST)
bharat lakhani
[AMBER] in minimization
(Mon Jan 11 2010 - 01:19:57 PST)
Re: [AMBER] Enquiry regarding MD run
(Mon Jan 04 2010 - 00:10:45 PST)
[AMBER] Enquiry regarding MD run
(Sat Jan 02 2010 - 05:26:46 PST)
Bill Ross
Re: [AMBER] fscanf
(Tue Jan 26 2010 - 16:10:08 PST)
Re: [AMBER] problem with nmode
(Tue Jan 26 2010 - 10:15:31 PST)
RE: [Subject Filtered] Re: [AMBER] AmberTools-1.3 Install Problem 10%
(Thu Jan 21 2010 - 17:38:00 PST)
Re: [AMBER] segmentation fault
(Wed Jan 20 2010 - 09:54:59 PST)
Re: [AMBER] Lennard-Jones Parameters in prmtop
(Mon Jan 18 2010 - 11:57:50 PST)
Re: [AMBER] Lennard-Jones Parameters in prmtop
(Mon Jan 18 2010 - 11:18:46 PST)
Re: RE: [AMBER] How to avoid Zn parametrization?
(Thu Jan 14 2010 - 09:32:57 PST)
RE: [AMBER] How to avoid Zn parametrization?
(Wed Jan 13 2010 - 10:20:19 PST)
Re: [AMBER] Install problem
(Tue Jan 12 2010 - 10:21:13 PST)
Re: [AMBER] Install problem
(Tue Jan 12 2010 - 09:58:16 PST)
Re: [AMBER] rmsd problem
(Mon Jan 11 2010 - 17:31:02 PST)
Re: [AMBER] rmsd problem
(Mon Jan 11 2010 - 10:15:10 PST)
Re: : [AMBER] Error
(Mon Jan 11 2010 - 09:12:19 PST)
Billy Miller III
Re: [AMBER] Problem in running MMPBSA installation
(Wed Jan 27 2010 - 17:08:17 PST)
Re: [AMBER] Problem in running MMPBSA installation
(Wed Jan 27 2010 - 16:34:39 PST)
Brut Marie
[AMBER] how to work with backbone atoms only ?
(Wed Jan 13 2010 - 12:28:58 PST)
Carlos Simmerling
Re: [AMBER] Force Fields Parameters Files
(Fri Jan 29 2010 - 10:00:32 PST)
Re: [AMBER] Parameters for unusual residues
(Fri Jan 29 2010 - 07:48:44 PST)
Re: [AMBER] tleap N and C terminal
(Wed Jan 27 2010 - 03:58:44 PST)
Re: [AMBER] changing intrinsic GB radii
(Tue Jan 26 2010 - 07:17:06 PST)
Re: [AMBER] Error reading namelist cntrl
(Wed Jan 20 2010 - 08:38:34 PST)
Re: [AMBER] phosphorylated amino acids
(Tue Jan 19 2010 - 07:33:24 PST)
Re: [AMBER] Center of Mass Harmonic Potentials
(Mon Jan 18 2010 - 17:35:29 PST)
Re: [AMBER] how to combine MD trajectories with two different time steps
(Thu Jan 14 2010 - 10:16:14 PST)
Re: Re: [AMBER] rms fit to a incomplete file
(Thu Jan 14 2010 - 05:00:47 PST)
Re: [AMBER] rms fit to a incomplete file
(Thu Jan 14 2010 - 04:33:22 PST)
Re: [AMBER] making pdb file
(Wed Jan 13 2010 - 12:46:49 PST)
Re: [AMBER] rmsd problem
(Sun Jan 10 2010 - 12:49:52 PST)
Re: : [AMBER] Error
(Sat Jan 09 2010 - 04:39:37 PST)
case
Re: [AMBER] qm2_parameters.h
(Fri Jan 29 2010 - 19:03:29 PST)
Re: [AMBER] Serial Installation
(Fri Jan 29 2010 - 09:35:42 PST)
Re: [AMBER] questions with nmode
(Fri Jan 29 2010 - 09:07:50 PST)
Re: [AMBER] Question of Tutorials-A1 about charges compuation from Guassian for Amber
(Fri Jan 29 2010 - 05:29:03 PST)
Re: [AMBER] Potential bug in TI softcore code of AMBER 11
(Fri Jan 29 2010 - 05:16:10 PST)
Re: [AMBER] TEST_FAILURES
(Thu Jan 28 2010 - 05:34:36 PST)
Re: [AMBER] questions with nmode
(Thu Jan 28 2010 - 05:21:33 PST)
Re: [AMBER] Amber10 on Snow Leopard
(Thu Jan 28 2010 - 05:14:48 PST)
Re: [AMBER] TI with soft core potentials
(Thu Jan 28 2010 - 05:10:06 PST)
Re: [AMBER] PMEMD compilation error
(Thu Jan 28 2010 - 04:39:32 PST)
Re: [AMBER] AmberTools 1.3 and amber10
(Wed Jan 27 2010 - 09:48:51 PST)
Re: [AMBER] fscanf
(Wed Jan 27 2010 - 07:10:22 PST)
Re: [AMBER] TEST_FAILURES
(Wed Jan 27 2010 - 07:04:59 PST)
Re: [AMBER] Installing AMBER 10 on OSX Snow Leopard
(Tue Jan 26 2010 - 04:43:45 PST)
Re: [AMBER] Amber10 Installation
(Mon Jan 25 2010 - 07:04:41 PST)
Re: [AMBER] error in installing amber10 even after installing amber tools
(Mon Jan 25 2010 - 07:02:34 PST)
Re: [AMBER] Residue DA not in library dna.amber94.rlb.
(Sat Jan 23 2010 - 14:15:13 PST)
Re: [AMBER] AMBER10 installation failure: NETCDF configure failed
(Sat Jan 23 2010 - 12:06:47 PST)
Re: [AMBER] can nmode run in parallel from
(Sat Jan 23 2010 - 11:46:25 PST)
Re: [AMBER] Cannot read parm file tprmtop
(Wed Jan 20 2010 - 10:00:06 PST)
Re: [AMBER] Cannot read parm file tprmtop
(Wed Jan 20 2010 - 09:27:45 PST)
Re: [AMBER] segmentation fault
(Wed Jan 20 2010 - 09:04:29 PST)
Re: [AMBER] Error reading namelist cntrl
(Wed Jan 20 2010 - 09:01:42 PST)
Re: [AMBER] (no subject)
(Wed Jan 20 2010 - 05:11:39 PST)
Re: [AMBER] Error in parallel compiling of Amber
(Tue Jan 19 2010 - 21:06:18 PST)
Re: [AMBER] Computing Hessian in Internal Coordinates?
(Tue Jan 19 2010 - 11:30:59 PST)
Re: [AMBER] Slab
(Tue Jan 19 2010 - 05:57:13 PST)
Re: [AMBER] AmberTools-1.3 Install Problem
(Mon Jan 18 2010 - 17:51:34 PST)
Re: [AMBER] Installation problem
(Mon Jan 18 2010 - 06:46:25 PST)
Re: [AMBER] Energy function NAB
(Mon Jan 18 2010 - 06:44:33 PST)
Re: [AMBER] Lennard-Jones Parameters in prmtop
(Sun Jan 17 2010 - 19:18:25 PST)
Re: [AMBER] error regarding NMR restrains
(Sat Jan 16 2010 - 14:24:26 PST)
Re: [AMBER] error regarding NMR restrains
(Sat Jan 16 2010 - 12:28:15 PST)
Re: [AMBER] question on exact ionic strength format and some questions on other GB calculations parameters
(Fri Jan 15 2010 - 09:00:01 PST)
Re: [AMBER] error while installation of amber9 at fedora 12
(Fri Jan 15 2010 - 07:07:13 PST)
Re: [AMBER] atom expression in NAB -superimpose
(Thu Jan 14 2010 - 20:15:00 PST)
Re: [AMBER] Install problem
(Thu Jan 14 2010 - 16:50:15 PST)
Re: [AMBER] no Bond Vdwaals and 1-4VDW values when doing mm-pbsa
(Thu Jan 14 2010 - 08:47:38 PST)
Re: [AMBER] sqm failed to fail
(Thu Jan 14 2010 - 08:43:42 PST)
Re: [AMBER] sqm failed to fail
(Thu Jan 14 2010 - 06:11:39 PST)
Re: [AMBER] No restart file written every ntwr steps?
(Wed Jan 13 2010 - 18:38:26 PST)
Re: [AMBER] The unperturbed charge of the unit: 0.010000 is not integral.
(Wed Jan 13 2010 - 05:36:11 PST)
Re: [AMBER] TI in Amber 10 with ifsc=2, energy decomposition and restraints
(Wed Jan 13 2010 - 04:56:10 PST)
Re: [AMBER] AT 1.3 Parallel Install Problem (pNetCDF)
(Tue Jan 12 2010 - 15:02:47 PST)
Re: [AMBER] Install problem
(Tue Jan 12 2010 - 07:08:24 PST)
Re: [AMBER] The unperturbed charge of the unit: 0.010000 is not integral.
(Tue Jan 12 2010 - 06:29:59 PST)
Re: [AMBER] Making Ambiguous Distance Restraints
(Mon Jan 11 2010 - 07:51:30 PST)
Re: [AMBER] error in minimization
(Mon Jan 11 2010 - 05:30:43 PST)
Re: [AMBER] in minimization
(Mon Jan 11 2010 - 05:28:21 PST)
Re: [AMBER] -bash: kclust: command not found
(Sat Jan 09 2010 - 06:07:45 PST)
Re: [AMBER] Add residue from PDB file
(Sat Jan 09 2010 - 06:01:37 PST)
Re: [AMBER] vlimit exceeded
(Fri Jan 08 2010 - 06:06:06 PST)
Re: [AMBER] Re: Installation of Amber11 under Cygwin on WindowXP
(Thu Jan 07 2010 - 14:52:34 PST)
Re: [AMBER] Atom number ****
(Thu Jan 07 2010 - 08:19:17 PST)
Re: [AMBER] Atom number ****
(Thu Jan 07 2010 - 07:29:15 PST)
[AMBER] A note on computing bcc charges in AmberTools1.3
(Thu Jan 07 2010 - 07:15:19 PST)
Re: [AMBER] Re: Installation of Amber11 under Cygwin on WindowXP
(Wed Jan 06 2010 - 09:17:52 PST)
Re: [AMBER] energy per residue
(Wed Jan 06 2010 - 05:36:26 PST)
Re: [AMBER] ff99SB in DNA tutorial
(Tue Jan 05 2010 - 20:52:40 PST)
Re: [AMBER] antechamber bond type error
(Tue Jan 05 2010 - 20:36:15 PST)
Re: [AMBER] energy per residue
(Tue Jan 05 2010 - 05:43:03 PST)
Re: [AMBER] low concentration simulation ?
(Tue Jan 05 2010 - 05:11:20 PST)
[lachele.gmail.com: Re: [songlin.moon.ibp.ac.cn: [AMBER] a problem in building oligosaccharides using LEaP]]
(Tue Jan 05 2010 - 04:50:28 PST)
Re: [AMBER] Re: Installation of Amber11 under Cygwin on WindowXP
(Mon Jan 04 2010 - 12:49:00 PST)
Re: [AMBER] Enquiry regarding MD run
(Sat Jan 02 2010 - 06:08:05 PST)
Re: [AMBER] problem with MM-PBSA
(Sat Jan 02 2010 - 06:02:13 PST)
chaitanya koppisetty
[AMBER] Energy function NAB
(Mon Jan 18 2010 - 02:19:01 PST)
Chih-Ying Lin
回覆：Re: [AMBER] low concentration simulation ?
(Wed Jan 06 2010 - 15:50:52 PST)
[AMBER] low concentration simulation ?
(Wed Jan 06 2010 - 13:30:32 PST)
回覆：Re: [AMBER] low concentration simulation ?
(Tue Jan 05 2010 - 13:39:21 PST)
[AMBER] low concentration simulation ?
(Mon Jan 04 2010 - 23:20:40 PST)
[AMBER] low concentration simulation ?
(Mon Jan 04 2010 - 22:57:41 PST)
Chris Moth
Re: [AMBER] sscanf again
(Wed Jan 27 2010 - 11:25:19 PST)
[AMBER] fscanf
(Tue Jan 26 2010 - 19:48:38 PST)
Christine Baranski
Re: [AMBER] Amber10 on Snow Leopard
(Thu Jan 28 2010 - 01:13:55 PST)
Re: [AMBER] Problem in running MMPBSA installation
(Wed Jan 27 2010 - 16:53:53 PST)
[AMBER] Problem in running MMPBSA installation
(Wed Jan 27 2010 - 16:08:18 PST)
Re: [AMBER] workshop
(Wed Jan 27 2010 - 16:01:06 PST)
[AMBER] Amber10 on Snow Leopard
(Wed Jan 27 2010 - 16:00:02 PST)
[AMBER] phosphorylated amino acids
(Tue Jan 19 2010 - 07:31:41 PST)
[AMBER] Parameters for a new ligand
(Mon Jan 18 2010 - 09:47:14 PST)
Chun-Wei Pao
[AMBER] C60 molecules interaction using GAFF?
(Sun Jan 03 2010 - 06:48:08 PST)
Cihan Aydin
RE: [AMBER] No restart file written every ntwr steps?
(Wed Jan 13 2010 - 13:48:46 PST)
[AMBER] No restart file written every ntwr steps?
(Wed Jan 13 2010 - 12:50:25 PST)
Re: [AMBER] AT 1.3 Parallel Install Problem (pNetCDF)
(Tue Jan 12 2010 - 10:36:08 PST)
Re: [AMBER] AT 1.3 Parallel Install Problem (pNetCDF)
(Tue Jan 12 2010 - 10:30:12 PST)
Re: [AMBER] AT 1.3 Parallel Install Problem (pNetCDF)
(Tue Jan 12 2010 - 10:13:36 PST)
[AMBER] AT 1.3 Parallel Install Problem (pNetCDF)
(Tue Jan 12 2010 - 10:01:03 PST)
Daniel Roe
Re: [AMBER] fscanf
(Tue Jan 26 2010 - 14:12:13 PST)
Re: [AMBER] Install problem
(Tue Jan 12 2010 - 07:17:55 PST)
Re: [AMBER] Install problem
(Tue Jan 12 2010 - 06:32:32 PST)
David Watson
Re: [AMBER] TEST_FAILURES
(Mon Jan 25 2010 - 21:11:25 PST)
Re: [AMBER] TEST_FAILURES
(Mon Jan 25 2010 - 21:02:02 PST)
Re: [AMBER] Amber10 Installation
(Sat Jan 23 2010 - 06:48:07 PST)
Re: [AMBER] AMBER10 installation failure: NETCDF configure failed
(Fri Jan 22 2010 - 16:00:52 PST)
Re: [AMBER] Amber10 Installation
(Fri Jan 22 2010 - 06:43:39 PST)
Re: [AMBER] Installation problem
(Mon Jan 18 2010 - 06:10:33 PST)
Dean Cuebas
Re: [AMBER] Lennard-Jones Parameters in prmtop
(Sun Jan 24 2010 - 11:04:52 PST)
Re: [AMBER] Lennard-Jones Parameters in prmtop
(Sun Jan 17 2010 - 15:27:41 PST)
Re: [AMBER] Add residue from PDB file
(Sat Jan 09 2010 - 16:39:44 PST)
Re: [AMBER] low concentration simulation ?
(Wed Jan 06 2010 - 14:49:22 PST)
Re: [AMBER] antechamber bond type error
(Tue Jan 05 2010 - 21:48:41 PST)
[AMBER] How to calculate torsional energy between two chiral carbons?
(Sun Jan 03 2010 - 17:02:42 PST)
Deepangi Pandit
Re: [AMBER] workshop
(Wed Jan 27 2010 - 06:21:09 PST)
Dmitry Mukha
Re: [AMBER] PTRAJ clustering atom /hetatm problem
(Tue Jan 12 2010 - 09:44:19 PST)
Donald Thomas
[AMBER] ff99SB in DNA tutorial
(Tue Jan 05 2010 - 20:31:02 PST)
E.M.
Re: [AMBER] Distance analysis
(Wed Jan 13 2010 - 20:41:13 PST)
Re: [AMBER] ATP/GTP parameters
(Wed Jan 13 2010 - 17:31:22 PST)
Ed Pate
[AMBER] minimization question
(Wed Jan 27 2010 - 21:14:54 PST)
ERIK.LAURINI.phd.units.it
[AMBER] DECOMP in mm_pbsa.in file
(Fri Jan 15 2010 - 07:10:08 PST)
fatima chami
Re: [AMBER] Lennard-Jones Parameters in prmtop
(Sat Jan 23 2010 - 16:27:41 PST)
Re: [AMBER] Is the integral value from RDF the same as average number of atoms?
(Sat Jan 16 2010 - 03:38:36 PST)
Fernando Martín García
Re: [AMBER] Atom number ****
(Fri Jan 08 2010 - 05:45:33 PST)
Re: [AMBER] Atom number ****
(Thu Jan 07 2010 - 07:47:42 PST)
Re: [AMBER] Atom number ****
(Thu Jan 07 2010 - 07:09:18 PST)
[AMBER] Atom number ****
(Thu Jan 07 2010 - 06:09:39 PST)
FyD
Re: [AMBER] Force Fields Parameters Files
(Sat Jan 30 2010 - 02:43:26 PST)
Re: [AMBER] mol file format of Gaussian and Amber
(Thu Jan 28 2010 - 19:43:56 PST)
Re: [AMBER] how to get partial charges and parameters for Acetyl-CoA which could be used in Amber simulations
(Fri Jan 22 2010 - 12:10:31 PST)
Re: [AMBER] Parameters for sulfate in amber
(Thu Jan 21 2010 - 05:22:17 PST)
Re: [AMBER] Parameters for a new ligand
(Tue Jan 19 2010 - 00:07:29 PST)
Re: [AMBER] The RESP program
(Mon Jan 18 2010 - 07:10:51 PST)
RE: [AMBER] How to avoid Zn parametrization?
(Mon Jan 18 2010 - 03:41:20 PST)
[AMBER] The RESP program
(Mon Jan 18 2010 - 03:13:51 PST)
Re: [AMBER] ATP/GTP parameters
(Thu Jan 14 2010 - 07:23:27 PST)
Re: [AMBER] Amber parameters and resp charge for Fe (or Zn)
(Thu Jan 07 2010 - 13:31:31 PST)
Ganesh Kamath
[AMBER] PDB file
(Wed Jan 06 2010 - 05:56:26 PST)
George Tzotzos
[AMBER] Installing AMBER 10 on OSX Snow Leopard
(Tue Jan 26 2010 - 02:01:07 PST)
geyan
Re: Re: [AMBER] need help in MM_PBSA calculation
(Tue Jan 26 2010 - 18:55:25 PST)
[AMBER] need help in MM_PBSA calculation
(Tue Jan 26 2010 - 00:42:59 PST)
[AMBER] need help in MM_PBSA calculation
(Thu Jan 21 2010 - 01:20:06 PST)
Giovanni Bellesia
[AMBER] Ammonia solvation box
(Tue Jan 26 2010 - 11:25:42 PST)
Giovanni Grazioso
[AMBER] TSvib terms
(Tue Jan 12 2010 - 07:05:19 PST)
gunajyoti das
[AMBER] (no subject)
(Fri Jan 22 2010 - 01:22:13 PST)
[AMBER] Query About QMMM Energy Minimization
(Mon Jan 18 2010 - 06:13:08 PST)
[AMBER] Installation problem
(Mon Jan 18 2010 - 05:38:29 PST)
Hannes Kopitz
Re: [AMBER] problem with nmode
(Mon Jan 25 2010 - 23:48:02 PST)
Re: [AMBER] problem with DC of mmgbsa
(Fri Jan 22 2010 - 07:58:08 PST)
Re: [AMBER] problem with DC of mmgbsa
(Mon Jan 18 2010 - 12:24:21 PST)
Re: [AMBER] TI in Amber 10 with ifsc=2, energy decomposition and restraints
(Wed Jan 13 2010 - 03:48:36 PST)
Hari Lamichhane
[AMBER] Amber parameters and resp charge for Fe (or Zn)
(Thu Jan 07 2010 - 07:44:45 PST)
Hemant Kumar
Re: [AMBER] energy per residue
(Wed Jan 06 2010 - 01:29:28 PST)
[AMBER] energy per residue
(Mon Jan 04 2010 - 22:52:29 PST)
Hopkins, Robert
[AMBER] Aborted tests for AmberTools-1.3
(Mon Jan 25 2010 - 16:03:26 PST)
Re: Re: [AMBER] AmberTools-1.3 Install Problem
(Mon Jan 25 2010 - 12:37:32 PST)
[AMBER] Is this Amber10 install error important?
(Mon Jan 25 2010 - 07:22:48 PST)
RE: [Subject Filtered] Re: [AMBER] AmberTools-1.3 Install Problem 10%
(Thu Jan 21 2010 - 13:34:13 PST)
[AMBER] AmberTools-1.3 Install Problem
(Mon Jan 18 2010 - 17:10:07 PST)
Hugh Heldenbrand
Re: [AMBER] Potential bug in TI softcore code of AMBER 11
(Sat Jan 30 2010 - 07:21:42 PST)
[AMBER] Potential bug in TI softcore code of AMBER 11
(Thu Jan 28 2010 - 10:03:49 PST)
imtiaz shafiq
[AMBER] problem while running amber in parallel (wall time ?)
(Fri Jan 29 2010 - 11:05:16 PST)
Re: [AMBER] Problems while working with Phosphothreonine
(Wed Jan 27 2010 - 05:13:28 PST)
InSuk Joung
Re: [AMBER] Lennard-Jones Parameters in prmtop
(Sun Jan 24 2010 - 12:17:44 PST)
Jackie. J. Shen
Re: [AMBER] vlimit exceeded
(Mon Jan 04 2010 - 16:55:25 PST)
jacky zhao
Re: [AMBER] disulfide bond error in the xleap
(Sat Jan 30 2010 - 02:02:20 PST)
Re: [AMBER] disulfide bond error in the xleap
(Fri Jan 29 2010 - 23:46:47 PST)
[AMBER] disulfide bond error in the xleap
(Fri Jan 29 2010 - 22:39:02 PST)
Jagdeesh C
Re: [AMBER] Trouble visualizing with VMD
(Fri Jan 22 2010 - 18:57:44 PST)
[AMBER] Trouble visualizing with VMD
(Fri Jan 22 2010 - 18:10:50 PST)
Jana Sefcikova
[AMBER] Force Fields Parameters Files
(Fri Jan 29 2010 - 09:49:06 PST)
Jason Swails
Re: [AMBER] sander.MPI running only on one node in parallel mode ?
(Sat Jan 30 2010 - 08:55:02 PST)
Re: [AMBER] disulfide bond error in the xleap
(Fri Jan 29 2010 - 23:51:06 PST)
Re: [AMBER] disulfide bond error in the xleap
(Fri Jan 29 2010 - 22:55:37 PST)
Re: [AMBER] AmberTools 1.3, Intel 11.0, on Ubuntu fails?
(Fri Jan 29 2010 - 20:24:30 PST)
Re: [AMBER] problem while running amber in parallel (wall time ?)
(Fri Jan 29 2010 - 12:25:54 PST)
Re: [AMBER] problem while running amber in parallel (wall time ?)
(Fri Jan 29 2010 - 12:06:28 PST)
Re: [AMBER] compilation error of PMEMD
(Wed Jan 27 2010 - 23:52:06 PST)
Re: [AMBER] minimization question
(Wed Jan 27 2010 - 21:57:20 PST)
Re: [AMBER] Amber10 on Snow Leopard
(Wed Jan 27 2010 - 16:57:01 PST)
Re: [AMBER] Question of Tutorials-A1 about charges compuation from Guassian for Amber
(Wed Jan 27 2010 - 15:31:42 PST)
Re: [AMBER] ambmask - distance-dependend selection
(Wed Jan 27 2010 - 05:43:27 PST)
[AMBER] Re: about xmin
(Wed Jan 27 2010 - 05:36:35 PST)
Re: [AMBER] URE residue not recognized in xleap
(Mon Jan 25 2010 - 13:40:28 PST)
Re: [AMBER] URE residue not recognized in xleap
(Mon Jan 25 2010 - 11:16:41 PST)
Re: [AMBER] URE residue not recognized in xleap
(Mon Jan 25 2010 - 09:16:23 PST)
Re: [AMBER] Is this Amber10 install error important?
(Mon Jan 25 2010 - 08:22:31 PST)
Re: [AMBER] problem with vmd
(Sat Jan 23 2010 - 05:42:57 PST)
Re: [AMBER] Trouble visualizing with VMD
(Fri Jan 22 2010 - 22:18:14 PST)
Re: [AMBER] heat further an equilibrated system
(Fri Jan 22 2010 - 10:28:25 PST)
Re: [AMBER] heat further an equilibrated system
(Fri Jan 22 2010 - 10:11:39 PST)
Re: [AMBER] heat further an equilibrated system
(Fri Jan 22 2010 - 09:52:02 PST)
Re: [AMBER] heat further an equilibrated system
(Fri Jan 22 2010 - 08:58:47 PST)
Re: [AMBER] how to calculate the different compoents of their interaction energies
(Fri Jan 22 2010 - 07:13:41 PST)
Re: [AMBER] phosphorylated amino acids
(Tue Jan 19 2010 - 07:35:40 PST)
Re: [AMBER] Parameters for a new ligand
(Mon Jan 18 2010 - 09:52:12 PST)
Re: [AMBER] Query About QMMM Energy Minimization
(Mon Jan 18 2010 - 08:27:25 PST)
Re: [AMBER] Lennard-Jones Parameters in prmtop
(Sun Jan 17 2010 - 11:14:23 PST)
Re: [AMBER] problem with MMPBSA.py
(Fri Jan 15 2010 - 00:42:16 PST)
Re: [AMBER] problem with MMPBSA.py
(Thu Jan 14 2010 - 23:50:21 PST)
Re: [AMBER] no Bond Vdwaals and 1-4VDW values when doing mm-pbsa
(Thu Jan 14 2010 - 08:13:29 PST)
Re: FW: [AMBER] Distance analysis
(Thu Jan 14 2010 - 05:34:47 PST)
Re: [AMBER] AT 1.3 Parallel Install Problem (pNetCDF)
(Tue Jan 12 2010 - 10:16:28 PST)
Re: [AMBER] AT 1.3 Parallel Install Problem (pNetCDF)
(Tue Jan 12 2010 - 10:08:10 PST)
Re: [AMBER] Install problem
(Tue Jan 12 2010 - 07:06:08 PST)
Re: [AMBER] Atom number ****
(Thu Jan 07 2010 - 06:35:53 PST)
Re: ¦^ÂСGRe: [AMBER] low concentration simulation ?
(Thu Jan 07 2010 - 06:09:52 PST)
Re: ¦^ÂСGRe: [AMBER] low concentration simulation ?
(Thu Jan 07 2010 - 05:43:25 PST)
Re: [AMBER] Re: Installation of Amber11 under Cygwin on WindowXP
(Wed Jan 06 2010 - 13:00:08 PST)
Re: [AMBER] Enquiry regarding MD run
(Mon Jan 04 2010 - 04:37:51 PST)
Re: [AMBER] error with mm-pbsa.py: no output value of VDWAALS from Sander
(Mon Jan 04 2010 - 04:32:52 PST)
Re: [AMBER] vlimit exceeded
(Sat Jan 02 2010 - 10:26:07 PST)
Re: [AMBER] problem with MM-PBSA
(Sat Jan 02 2010 - 06:03:24 PST)
Jayalakshmi Sridhar
Re: [AMBER] heat further an equilibrated system
(Fri Jan 22 2010 - 10:38:48 PST)
Re: [AMBER] heat further an equilibrated system
(Fri Jan 22 2010 - 10:17:14 PST)
Re: [AMBER] heat further an equilibrated system
(Fri Jan 22 2010 - 09:53:01 PST)
Re: [AMBER] heat further an equilibrated system
(Fri Jan 22 2010 - 09:57:30 PST)
Re: [AMBER] heat further an equilibrated system
(Fri Jan 22 2010 - 09:40:28 PST)
[AMBER] heat further an equilibrated system
(Fri Jan 22 2010 - 09:04:19 PST)
[AMBER] heat further an equilibrated system
(Fri Jan 22 2010 - 08:55:47 PST)
Re: [AMBER] how to combine MD trajectories with two different time steps
(Thu Jan 14 2010 - 10:19:44 PST)
[AMBER] how to combine MD trajectories with two different time steps
(Thu Jan 14 2010 - 09:59:15 PST)
Jianhui Tian
Re: [AMBER] Lennard-Jones Parameters in prmtop
(Tue Jan 26 2010 - 12:02:47 PST)
Re: [AMBER] Lennard-Jones Parameters in prmtop
(Mon Jan 18 2010 - 11:41:46 PST)
Re: [AMBER] Lennard-Jones Parameters in prmtop
(Sun Jan 17 2010 - 17:53:14 PST)
Re: [AMBER] Lennard-Jones Parameters in prmtop
(Sun Jan 17 2010 - 12:08:18 PST)
[AMBER] Lennard-Jones Parameters in prmtop
(Sun Jan 17 2010 - 09:07:42 PST)
Jim Miller
Re: [AMBER] mol file format of Gaussian and Amber
(Thu Jan 28 2010 - 22:18:50 PST)
[AMBER] mol file format of Gaussian and Amber
(Thu Jan 28 2010 - 16:12:48 PST)
John E. Kerrigan
Re: [AMBER] Install problem
(Thu Jan 14 2010 - 11:06:27 PST)
John S
Re: [AMBER] vlimit exceeded
(Sat Jan 02 2010 - 08:03:31 PST)
[AMBER] vlimit exceeded
(Sat Jan 02 2010 - 07:15:12 PST)
John Wil
[AMBER] Serial Installation
(Fri Jan 29 2010 - 04:53:11 PST)
Keith Battle
[AMBER] Center of Mass Harmonic Potentials
(Mon Jan 18 2010 - 16:56:34 PST)
Keith Chin
[AMBER] Fwd: Can't post in Amber reflector forum-help
(Wed Jan 20 2010 - 15:04:55 PST)
[AMBER] Re: Can't post in Amber reflector forum-help
(Wed Jan 20 2010 - 15:01:16 PST)
[AMBER] add external electric field sim in Amber
(Thu Jan 14 2010 - 10:54:27 PST)
[AMBER] Add external E-field in Amber
(Thu Jan 14 2010 - 09:55:18 PST)
Kevin Hauser
Re: [AMBER] making pdb file
(Wed Jan 13 2010 - 18:49:28 PST)
Kevin Wiehe
[AMBER] Computing Hessian in Internal Coordinates?
(Tue Jan 19 2010 - 09:49:14 PST)
Lachele Foley (Lists)
Re: [AMBER] Parameters for unusual residues
(Fri Jan 29 2010 - 07:41:16 PST)
Lan Hua
Re: [AMBER] how to get partial charges and parameters for Acetyl-CoA which could be used in Amber simulations
(Fri Jan 22 2010 - 12:38:51 PST)
[AMBER] how to get partial charges and parameters for Acetyl-CoA which could be used in Amber simulations
(Fri Jan 22 2010 - 09:22:33 PST)
liangchen88.ucla.edu
Re: [AMBER] error in installing amber tools
(Mon Jan 25 2010 - 01:48:57 PST)
Lixia Jin Day
[AMBER] still sscanf
(Wed Jan 27 2010 - 14:53:38 PST)
[AMBER] sscanf again
(Wed Jan 27 2010 - 10:22:10 PST)
Re: [AMBER] fscanf
(Tue Jan 26 2010 - 16:05:27 PST)
[AMBER] fscanf
(Tue Jan 26 2010 - 13:34:37 PST)
[AMBER] stdinput - getline
(Tue Jan 26 2010 - 12:25:56 PST)
[AMBER] Residue DA not in library dna.amber94.rlb.
(Wed Jan 20 2010 - 14:39:26 PST)
Re: [AMBER] Cannot read parm file tprmtop
(Wed Jan 20 2010 - 10:30:46 PST)
Re: [AMBER] Cannot read parm file tprmtop
(Wed Jan 20 2010 - 09:42:07 PST)
[AMBER] Cannot read parm file tprmtop
(Wed Jan 20 2010 - 09:09:01 PST)
[AMBER] atom expression in NAB -superimpose
(Thu Jan 14 2010 - 13:15:00 PST)
Re: [AMBER] Re: Installation of Amber11 under Cygwin on WindowXP
(Thu Jan 07 2010 - 12:36:58 PST)
Re: [AMBER] Re: Installation of Amber11 under Cygwin on WindowXP
(Wed Jan 06 2010 - 09:00:26 PST)
Re: [AMBER] Re: Installation of Amber11 under Cygwin on WindowXP
(Mon Jan 04 2010 - 14:22:16 PST)
Re: [AMBER] Re: Installation of Amber11 under Cygwin on WindowXP
(Mon Jan 04 2010 - 14:14:13 PST)
[AMBER] Re: Installation of Amber11 under Cygwin on WindowXP
(Mon Jan 04 2010 - 12:39:14 PST)
[AMBER] Installation of Amber11 under Cygwin on WindowXP
(Mon Jan 04 2010 - 12:20:38 PST)
luzhenw1.msu.edu
[AMBER] PTRAJ problem
(Wed Jan 13 2010 - 14:15:26 PST)
Re: [AMBER] rmsd problem
(Tue Jan 12 2010 - 07:45:21 PST)
Re: [AMBER] rmsd problem
(Mon Jan 11 2010 - 14:12:26 PST)
Re: [AMBER] rmsd problem
(Sun Jan 10 2010 - 19:22:27 PST)
[AMBER] rmsd problem
(Sun Jan 10 2010 - 12:34:24 PST)
Mag. Thomas Taylor
[AMBER] Re: PMEMD10 - energy summation bug? NO
(Thu Jan 21 2010 - 04:47:23 PST)
[AMBER] PMEMD10 - energy summation bug?
(Thu Jan 21 2010 - 04:32:19 PST)
Re: [AMBER] CHAMBER (AmberTools 1.3) and AMBER 10
(Thu Jan 21 2010 - 00:30:25 PST)
[AMBER] CHAMBER (AmberTools 1.3) and AMBER 10
(Tue Jan 12 2010 - 02:05:28 PST)
mahesh kumar
[AMBER] problem with vmd
(Sat Jan 23 2010 - 01:18:32 PST)
mani grover
[AMBER] segmentation fault
(Wed Jan 20 2010 - 06:23:49 PST)
Re: [AMBER] error regarding NMR restrains
(Sat Jan 16 2010 - 13:17:42 PST)
[AMBER] error regarding NMR restrains
(Sat Jan 16 2010 - 10:55:46 PST)
[AMBER] error in minimization
(Mon Jan 11 2010 - 01:41:39 PST)
Re: : [AMBER] Error
(Sat Jan 09 2010 - 01:00:48 PST)
: [AMBER] Error
(Fri Jan 08 2010 - 22:33:51 PST)
Re: [AMBER] vlimit exceeded
(Fri Jan 08 2010 - 04:30:48 PST)
Re: ¦^ÂСGRe: [AMBER] low concentration simulation ?
(Thu Jan 07 2010 - 06:11:02 PST)
Re: ¦^ÂСGRe: [AMBER] low concentration simulation ?
(Thu Jan 07 2010 - 06:05:15 PST)
Re: ¦^ÂСGRe: [AMBER] low concentration simulation ?
(Thu Jan 07 2010 - 05:57:03 PST)
Re: ¦^ÂСGRe: [AMBER] low concentration simulation ?
(Thu Jan 07 2010 - 05:39:10 PST)
Mannan
[AMBER] Parameters for sulfate in amber
(Tue Jan 19 2010 - 18:50:17 PST)
[AMBER] error in extract_centroids.awk
(Wed Jan 13 2010 - 19:07:07 PST)
Marcin Krol
[AMBER] Bridged HBONDS
(Tue Jan 26 2010 - 07:42:51 PST)
Re: [AMBER] hbond analysis output
(Mon Jan 11 2010 - 13:10:26 PST)
Marek Maly
Re: [AMBER] Re: Installation of Amber11 under Cygwin on WindowXP
(Wed Jan 06 2010 - 13:08:21 PST)
Re: [AMBER] Re: Installation of Amber11 under Cygwin on WindowXP
(Wed Jan 06 2010 - 12:51:15 PST)
Mark M Huntress
RE: [AMBER] antechamber bond type error
(Wed Jan 06 2010 - 13:10:25 PST)
RE: [AMBER] antechamber bond type error
(Tue Jan 05 2010 - 16:18:51 PST)
Mark Williamson
Re: [AMBER] Error in parallel compiling of Amber
(Tue Jan 19 2010 - 11:40:05 PST)
Re: [AMBER] CHAMBER (AmberTools 1.3) and AMBER 10
(Tue Jan 12 2010 - 17:35:54 PST)
Maryam Hamzehee
Re: [AMBER] problem with MM-PBSA
(Sat Jan 02 2010 - 23:24:48 PST)
Re: [AMBER] problem with MM-PBSA
(Sat Jan 02 2010 - 22:15:32 PST)
Re: [AMBER] problem with MM-PBSA
(Sat Jan 02 2010 - 11:43:35 PST)
[AMBER] problem with MM-PBSA
(Sat Jan 02 2010 - 00:48:16 PST)
MASLYK, MACIEJ MARCIN
[AMBER] Error reading namelist cntrl
(Wed Jan 20 2010 - 08:34:59 PST)
Massimiliano Bonomi
[AMBER] PLUMED tutorial announcement
(Tue Jan 26 2010 - 00:39:54 PST)
Matthias Wildauer
[AMBER] Merz-Kollmann Radius for Iodine
(Fri Jan 29 2010 - 02:40:21 PST)
Mengjuei Hsieh
Re: [AMBER] sander.MPI running only on one node in parallel mode ?
(Sat Jan 30 2010 - 12:10:38 PST)
Re: [AMBER] Amber10 on Snow Leopard
(Wed Jan 27 2010 - 17:11:20 PST)
Re: [AMBER] problem with MMPBSA.py
(Fri Jan 15 2010 - 23:15:40 PST)
Re: [AMBER] Error with mm-pbsa amber10
(Fri Jan 08 2010 - 11:38:14 PST)
Re: [AMBER] Re: Installation of Amber11 under Cygwin on WindowXP
(Wed Jan 06 2010 - 13:01:17 PST)
Re: [AMBER] Re: Installation of Amber11 under Cygwin on WindowXP
(Mon Jan 04 2010 - 23:41:44 PST)
Mike Hanby
RE: [AMBER] antechamber error
(Wed Jan 27 2010 - 13:51:42 PST)
[AMBER] AmberTools 1.3 and amber10
(Wed Jan 27 2010 - 09:45:38 PST)
MUHAMMAD IMTIA SHAFIQ
Re: [AMBER] sander.MPI running only on one node in parallel mode ?
(Sat Jan 30 2010 - 15:07:04 PST)
[AMBER] sander.MPI running only on one node in parallel mode ?
(Sat Jan 30 2010 - 07:20:43 PST)
Re: [AMBER] problem while running amber in parallel (wall time ?)
(Fri Jan 29 2010 - 15:15:50 PST)
Re: [AMBER] problem while running amber in parallel (wall time ?)
(Fri Jan 29 2010 - 12:17:07 PST)
[AMBER] Problems while working with Phosphothreonine
(Wed Jan 27 2010 - 02:18:04 PST)
Neha Bharat Gajaria
[AMBER] MD integrator in AMBER
(Tue Jan 19 2010 - 06:36:35 PST)
Nicee
[AMBER] error in installing amber10 even after installing amber tools
(Mon Jan 25 2010 - 02:45:29 PST)
Re: [AMBER] error in installing amber tools
(Mon Jan 25 2010 - 02:09:24 PST)
nicee.srivastava.imtech.res.in
[AMBER] error in installing amber tools
(Sun Jan 24 2010 - 22:15:52 PST)
[AMBER] query regarding neutralisation of protein before minimisation
(Sat Jan 23 2010 - 03:01:22 PST)
Re: [AMBER] Error in parallel compiling of Amber
(Wed Jan 20 2010 - 03:48:19 PST)
RE: [AMBER] Error in parallel compiling of Amber
(Tue Jan 19 2010 - 20:31:58 PST)
[AMBER] Error in parallel compiling of Amber
(Tue Jan 19 2010 - 04:17:04 PST)
Nicholas Musolino
Re: [AMBER] Trouble visualizing with VMD
(Fri Jan 22 2010 - 18:36:07 PST)
Nicolas.Baurin.sanofi-aventis.com
[AMBER] workshop
(Wed Jan 27 2010 - 01:32:25 PST)
Oliver Kuhn
[AMBER] ambmask - distance-dependend selection
(Wed Jan 27 2010 - 01:36:59 PST)
[AMBER] TI - SHAKE lists are not compatible in the two groups!
(Tue Jan 05 2010 - 06:33:35 PST)
[AMBER] TI - SHAKE lists are not compatible in the two groups!
(Tue Jan 05 2010 - 05:43:20 PST)
Peter Winn
[AMBER] changing intrinsic GB radii
(Tue Jan 26 2010 - 07:13:19 PST)
qiaoyan
[AMBER] explanation of the pucker output
(Sat Jan 23 2010 - 05:31:58 PST)
[AMBER] how to calculate the different compoents of their interaction energies
(Fri Jan 22 2010 - 04:54:24 PST)
Re: Re: [AMBER] rms fit to a incomplete file
(Thu Jan 14 2010 - 04:57:44 PST)
[AMBER] rms fit to a incomplete file
(Thu Jan 14 2010 - 04:29:50 PST)
[AMBER] hbond analysis output
(Sun Jan 10 2010 - 18:51:57 PST)
[AMBER] pucker: Error in specification of the first mask
(Sat Jan 09 2010 - 17:44:36 PST)
[AMBER] -bash: kclust: command not found
(Sat Jan 09 2010 - 03:57:56 PST)
[AMBER] how to compute the hyphobic surface area
(Thu Jan 07 2010 - 18:46:59 PST)
Qinghua Liao
[AMBER] ligands mutagenesis approach in MM_PBSA
(Wed Jan 20 2010 - 16:36:57 PST)
Ray Luo
Re: [AMBER] need help in MM_PBSA calculation
(Wed Jan 27 2010 - 11:05:38 PST)
Re: [AMBER] need help in MM_PBSA calculation
(Tue Jan 26 2010 - 11:00:23 PST)
Re: [AMBER] test.MMPBSA_Nmode
(Mon Jan 25 2010 - 10:50:44 PST)
Re: [AMBER] need help in MM_PBSA calculation
(Thu Jan 21 2010 - 10:35:59 PST)
Re: [AMBER] Re: error when doing mm-pbsa
(Mon Jan 11 2010 - 11:22:25 PST)
Re: [AMBER] how to compute the hyphobic surface area
(Thu Jan 07 2010 - 19:02:39 PST)
Re: [AMBER] Error: PB bomb in pb_reslist(): maxnbr too small
(Wed Jan 06 2010 - 11:04:18 PST)
Re: [AMBER] mm-pbsa error
(Wed Jan 06 2010 - 10:52:03 PST)
Ray Luo, Ph.D.
Re: [AMBER] test.MMPBSA_Nmode
(Fri Jan 22 2010 - 06:51:41 PST)
Re: [AMBER] problem with MM-PBSA
(Sun Jan 03 2010 - 16:51:07 PST)
Re: [AMBER] problem with MM-PBSA
(Sat Jan 02 2010 - 22:56:22 PST)
Re: [AMBER] problem with MM-PBSA
(Sat Jan 02 2010 - 16:39:00 PST)
Rilei Yu
[AMBER] Parameters for unusual residues
(Fri Jan 29 2010 - 07:26:09 PST)
Ross Walker
Re: [AMBER] sander.MPI running only on one node in parallel mode ?
(Sat Jan 30 2010 - 09:54:14 PST)
RE: [AMBER] Potential bug in TI softcore code of AMBER 11
(Thu Jan 28 2010 - 11:51:36 PST)
RE: [AMBER] workshop
(Wed Jan 27 2010 - 16:05:17 PST)
RE: [AMBER] Question of Tutorials-A1 about charges compuation from Guassian for Amber
(Wed Jan 27 2010 - 14:27:24 PST)
RE: [AMBER] workshop
(Wed Jan 27 2010 - 13:40:13 PST)
[AMBER-Developers] Mailing list TEST MESSAGE - Please ignore.
(Mon Jan 25 2010 - 15:09:37 PST)
RE: [AMBER] problem with vmd
(Sun Jan 24 2010 - 22:26:57 PST)
RE: [AMBER] trouble with cooling down the system
(Sun Jan 24 2010 - 22:26:57 PST)
RE: [AMBER] query regarding neutralisation of protein before minimisation
(Sun Jan 24 2010 - 22:26:57 PST)
RE: [AMBER] MD integrator in AMBER
(Tue Jan 19 2010 - 11:42:18 PST)
RE: [AMBER] Error in parallel compiling of Amber
(Tue Jan 19 2010 - 11:39:35 PST)
RE: [AMBER] Query About QMMM Energy Minimization
(Mon Jan 18 2010 - 21:47:19 PST)
RE: [AMBER] error in extract_centroids.awk
(Thu Jan 14 2010 - 12:03:31 PST)
RE: RE: [AMBER] How to avoid Zn parametrization?
(Thu Jan 14 2010 - 11:57:20 PST)
RE: RE: [AMBER] How to avoid Zn parametrization?
(Thu Jan 14 2010 - 11:54:50 PST)
RE: [AMBER] No restart file written every ntwr steps?
(Wed Jan 13 2010 - 13:34:02 PST)
RE: [AMBER] How to avoid Zn parametrization?
(Wed Jan 13 2010 - 09:47:02 PST)
RE: [AMBER] TEST_FAILURES.diff
(Wed Jan 13 2010 - 09:38:20 PST)
RE: [AMBER] Amber parameters and resp charge for Fe (or Zn)
(Thu Jan 07 2010 - 15:08:44 PST)
RE: [AMBER] ff99SB in DNA tutorial
(Tue Jan 05 2010 - 20:43:27 PST)
s. Bill
[AMBER] qm2_parameters.h
(Fri Jan 29 2010 - 17:25:13 PST)
Samuel Genheden
Re: [AMBER] TI with soft core potentials
(Thu Jan 28 2010 - 05:30:07 PST)
Re: [AMBER] TI with soft core potentials
(Thu Jan 28 2010 - 03:09:17 PST)
Re: [AMBER] TI with soft core potentials
(Wed Jan 27 2010 - 06:03:35 PST)
Re: [AMBER] TI in Amber 10 with ifsc=2, energy decomposition and restraints
(Wed Jan 13 2010 - 04:58:40 PST)
Re: [AMBER] TI in Amber 10 with ifsc=2, energy decomposition and restraints
(Wed Jan 13 2010 - 04:06:59 PST)
Re: [AMBER] TI in Amber 10 with ifsc=2, energy decomposition and restraints
(Wed Jan 13 2010 - 04:03:41 PST)
Re: [AMBER] TI in Amber 10 with ifsc=2, energy decomposition and restraints
(Wed Jan 13 2010 - 02:46:05 PST)
[AMBER] TI in Amber 10 with ifsc=2, energy decomposition and restraints
(Wed Jan 13 2010 - 02:02:28 PST)
Sangita Kachhap
[AMBER] PMEMD compilation error
(Wed Jan 27 2010 - 07:35:28 PST)
[AMBER] compilation error of PMEMD
(Wed Jan 27 2010 - 09:11:09 PST)
Re: [AMBER] (no subject)
(Wed Jan 20 2010 - 23:41:43 PST)
sangita.imtech.res.in
[AMBER] error of cutoff list exceeds largest sphere in unit cell
(Wed Jan 20 2010 - 01:11:39 PST)
[AMBER] (no subject)
(Wed Jan 20 2010 - 01:07:50 PST)
sare Sorur
[AMBER] making pdb file
(Wed Jan 13 2010 - 12:40:46 PST)
saurabh agrawal
Re: [AMBER] error while installation of amber9 at fedora 12
(Fri Jan 15 2010 - 10:08:51 PST)
[AMBER] error while installation of amber9 at fedora 12
(Fri Jan 15 2010 - 06:50:27 PST)
Scott Brozell
Re: [AMBER] Amber10 on Snow Leopard
(Thu Jan 28 2010 - 14:48:37 PST)
Shaikh Abdul R S Ramaju
FW: [AMBER] Distance analysis
(Wed Jan 13 2010 - 23:08:01 PST)
[AMBER] Distance analysis
(Wed Jan 13 2010 - 20:33:05 PST)
Siddharth Rastogi
[AMBER] Tutorial for Glycoprotein simulation
(Sun Jan 31 2010 - 15:08:40 PST)
Re: [AMBER] AMBER10 installation failure: NETCDF configure failed
(Sun Jan 31 2010 - 15:05:21 PST)
[AMBER] AMBER10 installation failure: NETCDF configure failed
(Fri Jan 22 2010 - 15:27:30 PST)
sikander azam
Re: [AMBER] TEST_FAILURES
(Thu Jan 28 2010 - 05:18:27 PST)
Re: [AMBER] TEST_FAILURES
(Wed Jan 27 2010 - 06:47:38 PST)
[AMBER] TEST_FAILURES
(Mon Jan 25 2010 - 20:49:24 PST)
Re: [AMBER] Amber10 Installation
(Mon Jan 25 2010 - 06:08:54 PST)
Re: [AMBER] Amber10 Installation
(Sat Jan 23 2010 - 04:23:05 PST)
[AMBER] Amber10 Installation
(Fri Jan 22 2010 - 03:51:46 PST)
song_jianing_hi
[AMBER] Thanks , Ross!
(Mon Jan 25 2010 - 22:16:16 PST)
[AMBER] trouble with MD simulation
(Sat Jan 23 2010 - 02:15:06 PST)
[AMBER] trouble with cooling down the system
(Sat Jan 23 2010 - 02:04:01 PST)
Soumya Lipsa Rath
Re: [AMBER] Problems while working with Phosphothreonine
(Wed Jan 27 2010 - 04:44:20 PST)
Stefan weber
Re: [AMBER] Install problem -- solved
(Tue Jan 12 2010 - 22:53:17 PST)
Re: [AMBER] Install problem
(Tue Jan 12 2010 - 06:47:37 PST)
[AMBER] Install problem
(Tue Jan 12 2010 - 06:13:59 PST)
steinbrt.rci.rutgers.edu
Re: [AMBER] Potential bug in TI softcore code of AMBER 11
(Fri Jan 29 2010 - 01:13:50 PST)
Re: [AMBER] TI with soft core potentials
(Thu Jan 28 2010 - 07:55:40 PST)
RE: [AMBER] workshop
(Thu Jan 28 2010 - 07:50:25 PST)
Re: [AMBER] TI with soft core potentials
(Wed Jan 27 2010 - 06:55:00 PST)
Re: [AMBER] workshop
(Wed Jan 27 2010 - 02:04:30 PST)
Re: [AMBER] TI with soft core potentials
(Wed Jan 27 2010 - 00:49:33 PST)
Re: [AMBER] Thermodynamic Integration (transformation of --H in to ---CH3) atom naming doubt
(Fri Jan 15 2010 - 10:17:22 PST)
Re: [AMBER] Thermodynamic Integration (transformation of --H in to ---CH3) atom naming doubt
(Fri Jan 15 2010 - 09:27:08 PST)
Re: [AMBER] Thermodynamic Integration to calculate binding energy of Benzene in t4_lysozyme
(Thu Jan 14 2010 - 09:40:17 PST)
Re: [AMBER] TI in Amber 10 with ifsc=2, energy decomposition and restraints
(Wed Jan 13 2010 - 05:05:35 PST)
Re: [AMBER] TI in Amber 10 with ifsc=2, energy decomposition and restraints
(Wed Jan 13 2010 - 04:37:38 PST)
Re: [AMBER] TI in Amber 10 with ifsc=2, energy decomposition and restraints
(Wed Jan 13 2010 - 03:21:11 PST)
Re: [AMBER] TI in Amber 10 with ifsc=2, energy decomposition and restraints
(Wed Jan 13 2010 - 02:36:07 PST)
Re: [AMBER] error in minimization
(Mon Jan 11 2010 - 04:44:34 PST)
Re: ¦^ÂСGRe: [AMBER] low concentration simulation ?
(Thu Jan 07 2010 - 06:11:22 PST)
Re: ¦^ÂСGRe: [AMBER] low concentration simulation ?
(Thu Jan 07 2010 - 02:32:09 PST)
Re: ¦^ÂСGRe: [AMBER] low concentration simulation ?
(Wed Jan 06 2010 - 05:44:45 PST)
Re: [AMBER] TI - SHAKE lists are not compatible in the two groups!
(Tue Jan 05 2010 - 07:11:38 PST)
Stephan Jakobi
[AMBER] AMBER9 - mm_pbsa error: bad atom type
(Fri Jan 08 2010 - 00:12:40 PST)
Steve Seibold
[AMBER] amber11
(Mon Jan 18 2010 - 05:43:52 PST)
Sudeep Narayan Banerjee
Re: [AMBER] Serial Installation
(Fri Jan 29 2010 - 23:29:47 PST)
Re: [AMBER] Serial Installation
(Fri Jan 29 2010 - 23:29:00 PST)
Re: [AMBER] Installation problem
(Mon Jan 18 2010 - 19:51:49 PST)
Sushil Mishra
Re: [AMBER] Thermodynamic Integration (transformation of --H in to ---CH3) atom naming doubt
(Fri Jan 15 2010 - 10:58:31 PST)
Re: [AMBER] Thermodynamic Integration (transformation of --H in to ---CH3) atom naming doubt
(Fri Jan 15 2010 - 10:08:26 PST)
Re: [AMBER] Thermodynamic Integration (transformation of --H in to ---CH3) atom naming doubt
(Fri Jan 15 2010 - 10:01:13 PST)
[AMBER] Thermodynamic Integration (transformation of --H in to ---CH3) atom naming doubt
(Fri Jan 15 2010 - 09:01:19 PST)
Re: [AMBER] Thermodynamic Integration to calculate binding energy of Benzene in t4_lysozyme
(Fri Jan 15 2010 - 01:19:31 PST)
[AMBER] Thermodynamic Integration to calculate binding energy of Benzene in t4_lysozyme
(Thu Jan 14 2010 - 08:42:32 PST)
Thomas Cheatham III
Re: [AMBER] pucker: Error in specification of the first mask
(Tue Jan 12 2010 - 10:14:47 PST)
Re: [AMBER] hbond analysis output
(Mon Jan 11 2010 - 11:49:43 PST)
Re: [AMBER] hbond analysis
(Mon Jan 04 2010 - 09:07:18 PST)
Titus, Jamie (bairdje)
RE: [AMBER] Making Ambiguous Distance Restraints
(Mon Jan 11 2010 - 08:31:35 PST)
[AMBER] Making Ambiguous Distance Restraints
(Mon Jan 11 2010 - 06:53:20 PST)
Tom Williams
Re: [AMBER] Question of Tutorials-A1 about charges compuation from Guassian for Amber
(Thu Jan 28 2010 - 16:41:40 PST)
Re: [AMBER] Question of Tutorials-A1 about charges compuation from Guassian for Amber
(Wed Jan 27 2010 - 15:11:02 PST)
[AMBER] Question of Tutorials-A1 about charges compuation from Guassian for Amber
(Wed Jan 27 2010 - 13:45:31 PST)
vhakkim boy
Re: [AMBER] Zinc parameters?
(Thu Dec 31 2009 - 20:56:50 PST)
Vlad Cojocaru
[AMBER] AMBER on AMD Istanbul versus intel Nehalem with infiniband
(Fri Jan 22 2010 - 06:45:28 PST)
Wood Geoffrey
[AMBER] TI with soft core potentials
(Tue Jan 26 2010 - 20:18:22 PST)
Xihui Yin
[AMBER] Add residue from PDB file
(Sat Jan 09 2010 - 00:08:45 PST)
xmzpzengs
Re: [AMBER] vlimit exceeded
(Sat Jan 02 2010 - 07:32:50 PST)
xueqin pang
[AMBER] mmpbsa error: No data for 0+2 MM BOND 200
(Sun Jan 31 2010 - 03:56:48 PST)
Re: [AMBER] questions with nmode
(Thu Jan 28 2010 - 19:43:34 PST)
[AMBER] questions when doing nmode
(Thu Jan 28 2010 - 03:22:29 PST)
[AMBER] questions with nmode
(Thu Jan 28 2010 - 02:19:06 PST)
[AMBER] problem with MMPBSA.py nmode calculation
(Tue Jan 26 2010 - 00:29:33 PST)
[AMBER] problem with nmode
(Mon Jan 25 2010 - 23:20:45 PST)
[AMBER] can nmode restart
(Sat Jan 23 2010 - 05:02:51 PST)
[AMBER] can nmode run in parallel from
(Sat Jan 23 2010 - 04:21:15 PST)
回复： [AMBER] need help in MM_PBSA calculation
(Thu Jan 21 2010 - 04:32:34 PST)
Re: [AMBER] problem with DC of mmgbsa
(Tue Jan 19 2010 - 23:13:49 PST)
Re: [AMBER] problem with DC of mmgbsa
(Tue Jan 19 2010 - 06:07:39 PST)
Re: [AMBER] problem with MMPBSA.py
(Mon Jan 18 2010 - 05:13:43 PST)
[AMBER] problem with DC of mmgbsa
(Sun Jan 17 2010 - 18:23:45 PST)
Re: [AMBER] problem with MMPBSA.py
(Fri Jan 15 2010 - 22:44:59 PST)
Re: [AMBER] problem with MMPBSA.py
(Fri Jan 15 2010 - 00:58:59 PST)
Re: [AMBER] problem with MMPBSA.py
(Fri Jan 15 2010 - 00:19:13 PST)
RE: [AMBER] problem with MMPBSA.py
(Thu Jan 14 2010 - 23:32:18 PST)
[AMBER] problem with MMPBSA.py
(Thu Jan 14 2010 - 19:50:21 PST)
[AMBER] no Bond Vdwaals and 1-4VDW values when doing mm-pbsa
(Thu Jan 14 2010 - 07:58:44 PST)
[AMBER] Re: error when doing mm-pbsa
(Sat Jan 09 2010 - 05:27:10 PST)
[AMBER] Error with mm-pbsa amber10
(Fri Jan 08 2010 - 07:24:25 PST)
[AMBER] MM-PBSA exist when "Calc delta from raw data"
(Thu Jan 07 2010 - 01:44:33 PST)
[AMBER] Error: PB bomb in pb_reslist(): maxnbr too small
(Wed Jan 06 2010 - 05:23:31 PST)
[AMBER] error with mm-pbsa.py: no output value of VDWAALS from Sander
(Mon Jan 04 2010 - 00:56:18 PST)
YOGESH NARKHEDE
[AMBER] plz help
(Sun Jan 17 2010 - 20:20:15 PST)
zoran matovic
Re: [AMBER] TEST_FAILURES.diff
(Thu Jan 14 2010 - 05:42:10 PST)
[AMBER] TEST_FAILURES.diff
(Wed Jan 13 2010 - 07:56:48 PST)
欧阳德方
[AMBER] QM/MM in reaction pathway
(Tue Jan 05 2010 - 21:46:13 PST)
Last message date
:
Sun Jan 31 2010 - 15:30:03 PST
Archived on
: Fri Nov 15 2024 - 05:54:01 PST
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