2005 Archives by thread

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Starting: Tue Jan 4 14:22:13 CEST 2005
Ending: Wed Dec 21 20:22:37 CEST 2005
Messages: 245

• [MMTK] Adding/modifying forcefields   david.evans at ulsop.ac.uk
  • [MMTK] Adding/modifying forcefields   konrad.hinsen at laposte.net
  • [MMTK] result['info']   Mihali A. Felipe
    • [MMTK] result['info']   konrad.hinsen at laposte.net
    • [MMTK] result['info']   Mihali A. Felipe
    • [MMTK] result['info']   konrad.hinsen at laposte.net
    • [MMTK] result['info']   Mihali A. Felipe
    • [MMTK] result['info']   konrad.hinsen at laposte.net
• [MMTK] adding bonds between molecules   david.evans at ulsop.ac.uk
  • [MMTK] adding bonds between molecules   konrad.hinsen at laposte.net
  • [MMTK] adding bonds between molecules   david.evans at ulsop.ac.uk
  • [MMTK] adding bonds between molecules   konrad.hinsen at laposte.net
  • [MMTK] MMTK 2.5.3   konrad.hinsen at laposte.net
  • [MMTK] MMTK 2.5.3   konrad.hinsen at laposte.net
  • [MMTK] MMTK 2.5.4   konrad.hinsen at laposte.net
• [MMTK] Re: Auto-discard notification   konrad.hinsen at laposte.net
• [MMTK] Re: Auto-discard notification   khinsen at cea.fr
• [MMTK] Re: Auto-discard notification   khinsen at cea.fr
• [MMTK] MMTK Install Problem   Justin Lemkul
  • [MMTK] MMTK Install Problem   Jaroslaw Kalinowski
  • [MMTK] MMTK Install Problem   khinsen at cea.fr
• [MMTK] MMTK Install Problem   Justin Lemkul
• [MMTK] vmd-l: Calling Python hackers.... (fwd from johns@ks.uiuc.edu)   Eugen Leitl
• [MMTK] Tk install problem   Justin Lemkul
  • [MMTK] Tk install problem   konrad.hinsen at laposte.net
• [MMTK] Tk install problem   Justin Lemkul
• [MMTK] MMTK 2.4.2   konrad.hinsen at laposte.net
• [MMTK] MMTK Install   Justin Lemkul
  • [MMTK] MMTK Install   Peter
  • [MMTK] MMTK Install   konrad.hinsen at laposte.net
• [MMTK] NetCDF Question   Justin Lemkul
  • [MMTK] NetCDF Question   konrad.hinsen at laposte.net
• [MMTK] NetCDF Question   Justin Lemkul
• [MMTK] MMTK 2.5.5   khinsen at cea.fr
  • [MMTK] MMTK 2.5.5   david.evans at ulsop.ac.uk
  • [MMTK] MSE, HETATM   Eric Zollars
    • [MMTK] Re: MSE, HETATM   khinsen at cea.fr
• [MMTK] simplied peptide model   Shirley Siu
  • [MMTK] simplied peptide model   khinsen at cea.fr
• [MMTK] 64bit Linux - dynamic library problems   James Horne
  • [MMTK] 64bit Linux - dynamic library problems   konrad.hinsen at laposte.net
• [MMTK] Fatal Python Error with NormalMode   Justin Lemkul
  • [MMTK] Fatal Python Error with NormalMode   konrad.hinsen at laposte.net
• [MMTK] Fatal Python Error with NormalMode   Justin Lemkul
  • [MMTK] Fatal Python Error with NormalMode   konrad.hinsen at laposte.net
• [MMTK] Monte Carlo simulation   Shirley Siu
• [MMTK] Monte Carlo simulation   Shirley Siu
  • [MMTK] Monte Carlo simulation   konrad.hinsen at laposte.net
• [MMTK] MMTK 2.5.6   khinsen at cea.fr
  • [MMTK] MMTK 2.5.6   konrad.hinsen at laposte.net
  • [MMTK] MMTK 2.5.7   khinsen at cea.fr
• [MMTK] calculate RMSD of a collection of atoms from trajectory   Shirley Siu
  • [MMTK] calculate RMSD of a collection of atoms from trajectory   khinsen at cea.fr
    • [MMTK] calculate RMSD of a collection of atoms from trajectory   Shirley Siu
      • [MMTK] calculate RMSD of a collection of atoms from trajectory   khinsen at cea.fr
• [MMTK] VRML and VMD   Justin Lemkul
  • [MMTK] Re: VRML and VMD   khinsen at cea.fr
    • [MMTK] Re: VRML and VMD   konrad.hinsen at laposte.net
• [MMTK] object lost in trajectory?   Shirley Siu
  • [MMTK] object lost in trajectory?   konrad.hinsen at laposte.net
• [MMTK] Nucleotide Sequences, Solvation question   Justin Lemkul
  • [MMTK] Nucleotide Sequences, Solvation question   khinsen at cea.fr
• [MMTK] 2D simulations?   khinsen at cea.fr
• [MMTK] 2D simulations?   khinsen at cea.fr
• [MMTK] Protein.py, PeptideChain question   Justin Lemkul
  • [MMTK] Protein.py, PeptideChain question   khinsen at cea.fr
• [MMTK] ScientificPython 2.5.3   khinsen at cea.fr
• [MMTK] bus error with Minimization module   khinsen at cea.fr
  • [MMTK] MMTK beguinner   Matias Saavedra
    • [MMTK] MMTK beguinner   khinsen at cea.fr
      • [MMTK] MMTK beguinner   Matias Saavedra
      • [MMTK] Re: MMTK beguinner   khinsen at cea.fr
• [MMTK] Mac packages   khinsen at cea.fr
• [MMTK] problem reading PDB files with hydrogens   Andrew J. Bordner
  • [MMTK] problem reading PDB files with hydrogens   konrad.hinsen at laposte.net
• [MMTK] Visualization with VMD   Vasisht R. Tadigotla
  • [MMTK] Visualization with VMD   khinsen at cea.fr
    • [MMTK] Visualization with VMD   Vasisht R. Tadigotla
      • [MMTK] Visualization with VMD   khinsen at cea.fr
• [MMTK] Visualization with VMD   Vasisht R. Tadigotla
• [MMTK] Visualization with VMD   Vasisht R. Tadigotla
• [MMTK] Visualization with VMD [solved]   Vasisht R. Tadigotla
• [MMTK] Normal Modes problem   Vasisht R. Tadigotla
  • [MMTK] Normal Modes problem   khinsen at cea.fr
    • [MMTK] Normal Modes problem   Vasisht R. Tadigotla
• [MMTK] Normal Modes problem   khinsen at cea.fr
• [MMTK] MMTK_sparseev problem   Vasisht R. Tadigotla
  • [MMTK] MMTK_sparseev problem   khinsen at cea.fr
• [MMTK] MMTK_sparseev problem   Vasisht R. Tadigotla
  • [MMTK] MMTK_sparseev problem   khinsen at cea.fr
• [MMTK] Extracting atom coordinates   David Evans
  • [MMTK] Extracting atom coordinates   khinsen at cea.fr
    • [MMTK] Extracting atom coordinates   David Evans
• [MMTK] Segmentation fault in VelocityVerletIntegrator with python forcefied   Jaroslaw Kalinowski
  • [MMTK] Segmentation fault in VelocityVerletIntegrator with python forcefied   khinsen at cea.fr
    • [MMTK] Segmentation fault in VelocityVerletIntegrator with python forcefied   Jaroslaw Kalinowski
• [MMTK] [p.berkes@biologie.hu-berlin.de: ANN: MDP 1.1.0]   Eugen Leitl
• [MMTK] VectorField   Nathalie Reuter
  • [MMTK] VectorField   khinsen at cea.fr
    • [MMTK] VectorField   Nathalie Reuter
      • [MMTK] VectorField   khinsen at cea.fr
      • [MMTK] VectorField   Nathalie Reuter
• [MMTK] Calculation of Molecular Surface   mkseo
  • [MMTK] Calculation of Molecular Surface   khinsen at cea.fr
• [MMTK] unit of molecular surface   mkseo
  • [MMTK] unit of molecular surface   konrad.hinsen at laposte.net
  • [MMTK] unit of molecular surface   Jaroslaw Kalinowski
• [MMTK] a few questions about normal mode calc   OMAR NABEEL ALY DEMERDASH
  • [MMTK] a few questions about normal mode calc   khinsen at cea.fr
• [MMTK] question about modes   OMAR NABEEL ALY DEMERDASH
  • [MMTK] question about modes   khinsen at cea.fr
• [MMTK] Using MMTK   Matias Saavedra
  • [MMTK] Using MMTK   khinsen at cea.fr
• [MMTK] using MMTK   Matias Saavedra
• [MMTK] using MMTK   Matias Saavedra
• [MMTK] Using MMTK   Matias Saavedra
  • [MMTK] Using MMTK   khinsen at cea.fr
    • [MMTK] Using MMTK   Matias Saavedra
      • [MMTK] Using MMTK   khinsen at cea.fr
      • [MMTK] Using MMTK   Matias Saavedra
      • [MMTK] Using MMTK   khinsen at cea.fr
      • [MMTK] Intramolecular interactions   Matias Saavedra
      • [MMTK] MMTK with VMD on Mac OSX   Ryan Bannen
      • [MMTK] MMTK with VMD on Mac OSX   Vasisht R. Tadigotla
      • [MMTK] MMTK with VMD on Mac OSX   khinsen at cea.fr
      • [MMTK] Re: Intramolecular interactions   khinsen at cea.fr
• [MMTK] Using MMTK   Matias Saavedra
  • [MMTK] Using MMTK   khinsen at cea.fr
• [MMTK] Metalloprotein in mmtk   Raúl Mera
  • [MMTK] Metalloprotein in mmtk   konrad.hinsen at laposte.net
• [MMTK] atom index in normal modes   OMAR NABEEL ALY DEMERDASH
  • [MMTK] atom index in normal modes   khinsen at cea.fr
• [MMTK] MMTK with VMD on Mac OSX   Ryan Bannen
  • [MMTK] MMTK with VMD on Mac OSX   khinsen at cea.fr
• [MMTK] MMTK with VMD on Mac OSX   Ryan Bannen
• [MMTK] CalphaForceField   Vasisht R. Tadigotla
  • [MMTK] CalphaForceField   khinsen at cea.fr
    • [MMTK] CalphaForceField   Vasisht R. Tadigotla
• [MMTK] question about units   OMAR NABEEL ALY DEMERDASH
  • [MMTK] question about units   khinsen at cea.fr
• [MMTK] Metalloprotein   Raúl Mera
  • [MMTK] Metalloprotein   khinsen at cea.fr
• [MMTK] MMTK questions   Matias Saavedra
  • [MMTK] MMTK questions   Nathalie Reuter
    • [MMTK] MMTK questions   Matias Saavedra
      • [MMTK] MMTK questions   Nathalie Reuter
  • [MMTK] Re: MMTK questions   khinsen at cea.fr
    • [MMTK] Re: MMTK questions   Matias Saavedra
      • [MMTK] Re: MMTK questions   khinsen at cea.fr
• [MMTK] (no subject)   Dr. Seth Olsen
  • [MMTK] (no subject)   Dr. Seth Olsen
  • [MMTK] (no subject)   khinsen at cea.fr
    • [MMTK] (no subject)   Dr. Seth Olsen
• [MMTK] Can't index a ParticleVectorSet -universe not passed?   Dr. Seth Olsen
  • [MMTK] Re: Can't index a ParticleVectorSet -universe not passed?   Dr. Seth Olsen
    • [MMTK] Re: Can't index a ParticleVectorSet -universe not passed?   khinsen at cea.fr
• [MMTK] Bug Spot/Fix for method addToConfiguration() in MMTK.Universe   Dr. Seth Olsen
  • [MMTK] Bug Spot/Fix for method addToConfiguration() in MMTK.Universe   khinsen at cea.fr
• [MMTK] PDB to VRML   mohammed ibrahim
  • [MMTK] PDB to VRML   khinsen at cea.fr
• [MMTK] Making DCD from a Series of PDB   khinsen at cea.fr
• [MMTK] Tk install problem   khinsen at cea.fr
• [MMTK] Minimization   Matias Saavedra
  • [MMTK] Re: Minimization   khinsen at cea.fr
• [MMTK] Modes mouvement characterization   Matias Saavedra
  • [MMTK] Re: Modes mouvement characterization   khinsen at cea.fr
    • [MMTK] Glycine Mutation Potential energy   Matias Saavedra
• [MMTK] a question about DNA and the Amber forcefield in MMTK   Kristina Woods
  • [MMTK] a question about DNA and the Amber forcefield in MMTK   khinsen at cea.fr
• [MMTK] a question about DNA and the Amber forcefield in MMTK   khinsen at cea.fr
• [MMTK] Temporary implementation of integrator in python   Rune Larsen
  • [MMTK] Temporary implementation of integrator in python   khinsen at cea.fr
  • SV: Re: [MMTK] Temporary implementation of integrator in python   Rune Larsen
• [MMTK] [owner-chemistry@ccl.net: CCL: W:ESFF force field parameters]   Eugen Leitl
• [MMTK] Can MMTK handle neutral N-termini?   Dr. Seth Olsen
  • [MMTK] Can MMTK handle neutral N-termini?   khinsen at cea.fr
  • [MMTK] import lapack_mmtk problem in modes.py   James Horne
    • [MMTK] import lapack_mmtk problem in modes.py   khinsen at cea.fr
• [MMTK] Using VMD for visualisations - colors   Peter
  • [MMTK] Using VMD for visualisations - colors   khinsen at cea.fr
• [MMTK] Trouble installing MMTK on Linux   vanitha at cs.wisc.edu
  • [MMTK] Trouble installing MMTK on Linux   Jaroslaw Kalinowski
    • [MMTK] Trouble installing MMTK on Linux   khinsen at cea.fr
    • [MMTK] MMTK 2.4.4 and 2.5.10   khinsen at cea.fr
    • [MMTK] Minimization module   vanitha at cs.wisc.edu
    • [MMTK] Minimization module   khinsen at cea.fr
    • [MMTK] Minimization module   vanitha at cs.wisc.edu
• [MMTK] Problems with FC4, gcc4.0.1 build   Dr. Seth Olsen
  • [MMTK] Re: Problems with FC4, gcc4.0.1 build   khinsen at cea.fr
• [MMTK] a question   mohammad taghizadeh
  • [MMTK] Re: Problems with FC4, gcc4.0.1 build   khinsen at cea.fr
  • [MMTK] Re: Problems with FC4, gcc4.0.1 build   khinsen at cea.fr
• [MMTK] Some basic questions   Matias Saavedra
• [MMTK] Minimization module   vanitha at cs.wisc.edu
• [Fwd: Re: [MMTK] Minimization module]   vanitha at cs.wisc.edu
  • [Fwd: Re: [MMTK] Minimization module]   khinsen at cea.fr
  • [Fwd: Re: [MMTK] Minimization module]   vanitha at cs.wisc.edu
  • [Fwd: Re: [MMTK] Minimization module]   khinsen at cea.fr
  • [MMTK] Installing MMTK-2.5.11   vanitha at cs.wisc.edu
  • [MMTK] Installing MMTK-2.5.11   khinsen at cea.fr
• [MMTK] Potential Energy and Energy Gradients   vanitha at cs.wisc.edu
  • [MMTK] Potential Energy and Energy Gradients   khinsen at cea.fr
• [MMTK] Building Force Fields under MMTK   Gustavo Mercier
  • [MMTK] Building Force Fields under MMTK   khinsen at cea.fr
  • [MMTK] Building Force Fields under MMTK   Guido Wagner
• [MMTK] The error about view module   Bin Gu
  • [MMTK] The error about view module   khinsen at cea.fr
• [MMTK] Error compiling Pyrex modules in ForceField folder   vanitha at cs.wisc.edu
  • [MMTK] Error compiling Pyrex modules in ForceField folder   khinsen at cea.fr
  • [MMTK] Error compiling Pyrex modules in ForceField folder   vanitha at cs.wisc.edu
  • [MMTK] Error compiling Pyrex modules in ForceField folder   khinsen at cea.fr
  • [MMTK] Error compiling Pyrex modules in ForceField folder   vanitha at cs.wisc.edu
• [MMTK] Nan for Energy and Gradients   vanitha at cs.wisc.edu
  • [MMTK] Nan for Energy and Gradients   Guido Wagner
    • [MMTK] Nan for Energy and Gradients   khinsen at cea.fr
• [MMTK] problem with findTransformation   Jaroslaw Kalinowski
  • [MMTK] problem with findTransformation   khinsen at cea.fr
  • [MMTK] problem with findTransformation   Jaroslaw Kalinowski
  • [MMTK] problem with findTransformation   khinsen at cea.fr
• [MMTK] restraints to center of mass   mkseo
  • [MMTK] restraints to center of mass   khinsen at cea.fr
• [MMTK] Problem with Energy and Gradients Calculation   vanitha at cs.wisc.edu
  • [MMTK] Problem with Energy and Gradients Calculation   khinsen at cea.fr
• [MMTK] Problem with Energy and Gradients Calculation   vanitha at cs.wisc.edu
• [MMTK] That worked like magic   vanitha at cs.wisc.edu
  • [MMTK] MMTK and Numeric 24   khinsen at cea.fr
• [MMTK] Questions on adding a displacement to the co-ordinates of a Protein   vanitha at cs.wisc.edu
  • [MMTK] Questions on adding a displacement to the co-ordinates of a Protein   khinsen at cea.fr
• [MMTK] Adding displacements to Protein Configuration   vanitha at cs.wisc.edu
  • [MMTK] Adding displacements to Protein Configuration   khinsen at cea.fr
  • [MMTK] Writing universe out to a file   vanitha at cs.wisc.edu
  • [MMTK] Writing universe out to a file   Jaroslaw Kalinowski
  • [MMTK] Writing universe out to a file   vanitha at cs.wisc.edu
  • [MMTK] Adding displacements to Protein Configuration   Jaroslaw Kalinowski
• [MMTK] (no subject)   mprabha at fiu.edu
  • [MMTK] (no subject)   khinsen at cea.fr
  • [MMTK] LangevinIntegrator   Hye won Kang
    • [MMTK] LangevinIntegrator   khinsen at cea.fr
    • [MMTK] LangevinIntegrator   Hye won Kang
• [Fwd: Re: Re: [MMTK] (no subject)]   mprabha at fiu.edu
  • [MMTK] question about Langevin module   Hye won Kang
    • [MMTK] question about Langevin module   Jaroslaw Kalinowski
• [MMTK] protein simulation   mprabha at fiu.edu
  • [MMTK] protein simulation   khinsen at cea.fr
  • [MMTK] Administrative news   khinsen at cea.fr

Last message date: Wed Dec 21 20:22:37 CEST 2005
Archived on: Wed Dec 21 20:22:44 CEST 2005

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