September 2002 Archives by thread

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Starting: Mon Sep 2 08:48:32 CEST 2002
Ending: Mon Sep 30 23:48:16 CEST 2002
Messages: 324

[gmx-users] force-field parameters K.A. Feenstra
[gmx-users] distance restraints in enzyme-substrate complex K.A. Feenstra
- [gmx-users] distance restraints and periodic image jozef hritz
  - [gmx-users] distance restraints and periodic image David van der Spoel
    - [gmx-users] distance restraints and periodic image jozef hritz
    - [gmx-users] distance restraints and periodic image David van der Spoel
[gmx-users] To run our files subramaniam sivaraman
- [gmx-users] To run our files K.A. Feenstra
[gmx-users] pdb2gmx K.A. Feenstra
[gmx-users] phosphoserine emombel at nimr.mrc.ac.uk
- [gmx-users] phosphoserine David van der Spoel
[gmx-users] forcefield and run in parallel Rui Qiao
- [gmx-users] forcefield and run in parallel David
  - [gmx-users] forcefield and run in parallel Erik Lindahl
[gmx-users] Re: anyhelp?? K.A. Feenstra
[gmx-users] Re: pdb2gmx - sorted! dr.horsfield at physics.org
[gmx-users] problems with pdb2gmx storme at rpi.edu
- [gmx-users] problems with pdb2gmx David
[gmx-users] Mdrun on 2 nodes Tivadar Orban
[gmx-users] PME scalling Dmitry Kovalsky
- [gmx-users] PME scalling K.A. Feenstra
[gmx-users] pdb2gmx problem alexander yakovenko
- [gmx-users] pdb2gmx problem K.A. Feenstra
- [gmx-users] pdb2gmx problem David
  - [gmx-users] pdb2gmx problem Daan Virtual
[gmx-users] problems with installation! Ruben Martinez Buey
- [gmx-users] problems with installation! Mehmet Suezen
- [gmx-users] problems with installation! Mehmet Suezen
- [gmx-users] problems with installation! Erik Lindahl
[gmx-users] Simulation crash and Large VCM(group rest)... A. Pandini
- [gmx-users] Simulation crash and Large VCM(group rest)... David
[gmx-users] rasmol usage subramaniam sivaraman
[gmx-users] xmgrace command subramaniam sivaraman
- [gmx-users] xmgrace command David van der Spoel
[gmx-users] GROMACS on Mandrake Dmitry Kovalsky
- [gmx-users] GROMACS on Mandrake Mehmet Suezen
  - [gmx-users] GROMACS on Mandrake David van der Spoel
- [gmx-users] GROMACS on Mandrake Erik Lindahl
[gmx-users] GMX with intel compilers Alan Wilter Sousa da Silva
- [gmx-users] GMX with intel compilers Erik Lindahl
[gmx-users] .mdp file creation subramaniam sivaraman
- [gmx-users] .mdp file creation David van der Spoel
[gmx-users] .mdp file creation subramaniam sivaraman
[gmx-users] convert an itp from gmx to olps? nicolis at guideo.fr
- [gmx-users] convert an itp from gmx to olps? Erik Lindahl
[gmx-users] Center of Simulation Box Shrivastava, Indira (NCI)
- [gmx-users] Center of Simulation Box David
[gmx-users] Installing GROMACS under OS X 10.2 Christopher Yip
- [gmx-users] compilation error on Gmx 314 Diego Vallejo
  - [gmx-users] compilation error on Gmx 314 Erik Lindahl
- [gmx-users] Installing GROMACS under OS X 10.2 Erik Lindahl
[gmx-users] Monte Carlo and MD Denis Shcherbakov
- [gmx-users] Monte Carlo and MD David
[gmx-users] xmgrace & dssp subramaniam sivaraman
- [gmx-users] xmgrace & dssp Dr. Y. U. Sasidhar
[gmx-users] Monte Carlo MD & PRODRG John Kerrigan
- [gmx-users] Monte Carlo MD & PRODRG Daan Virtual
- [gmx-users] Monte Carlo MD & PRODRG Mikko Huhtala
[gmx-users] loss of precision in *.gro sekirin at iop.kiev.ua
- [gmx-users] loss of precision in *.gro Nguyen Hoang Phuong
  - [gmx-users] loss of precision in *.gro Erik Lindahl
- [gmx-users] loss of precision in *.gro Mehmet Suezen
  - [gmx-users] loss of precision in *.gro David van der Spoel
[gmx-users] the neighbour getting alexander yakovenko
- [gmx-users] the neighbour getting Erik Lindahl
  - [gmx-users] the neighbour getting K.A. Feenstra
- [gmx-users] the neighbour getting David van der Spoel
[gmx-users] binding free energy xu yechun
- [gmx-users] binding free energy David
- [gmx-users] binding free energy K.A. Feenstra
[gmx-users] Douts Tanos
- [gmx-users] Douts David
[gmx-users] Douts Tanos
[gmx-users] Douts Tanos
[gmx-users] Problem with position restraints Ben Tehan
- [gmx-users] Problem with position restraints David
- [gmx-users] Problem with position restraints David
[gmx-users] problem with position restraints Ben Tehan
- [gmx-users] problem with position restraints K.A. Feenstra
[gmx-users] 'none' termini fail Mikko Huhtala
- [gmx-users] instantaneous normal mode analysis Nguyen Hoang Phuong
[gmx-users] Installation of Gromacs 3.1.3 on IBM RS/6000 wnoon at rice.edu
- [gmx-users] Installation of Gromacs 3.1.3 on IBM RS/6000 David
[gmx-users] box explodes when using PME Attila Borics
- [gmx-users] box explodes when using PME David
[gmx-users] Fatal error Determinant Mehmet Suezen
- [gmx-users] Fatal error Determinant Mehmet Suezen
- [gmx-users] Fatal error Determinant David van der Spoel
  - [gmx-users] Fatal error Determinant Mehmet Suezen
    - [gmx-users] Fatal error Determinant David van der Spoel
    - [gmx-users] Fatal error Determinant Nguyen Hoang Phuong
    - [gmx-users] Fatal error Determinant Mehmet Suezen
    - [gmx-users] Fatal error Determinant David van der Spoel
[gmx-users] Fatal error Determinant Mehmet Suezen
- [gmx-users] Fatal error Determinant David van der Spoel
  - [gmx-users] Fatal error Determinant Mehmet Suezen
[gmx-users] genion storme at rpi.edu
- [gmx-users] genion Gerrit Groenhof
[gmx-users] genion Shrivastava, Indira (NCI)
[gmx-users] monitor energy qiao rui
- [gmx-users] monitor energy Gerrit Groenhof
  - [gmx-users] monitor energy qiao rui
    - [gmx-users] monitor energy Erik Lindahl
    - [gmx-users] monitor energy David L. Bostick
    - [gmx-users] monitor energy David
[gmx-users] GROMOS96 topology Ruben Martinez Buey
- [gmx-users] GROMOS96 topology Daan Virtual
  - [gmx-users] GROMOS96 topology Ruben Martinez Buey
    - [gmx-users] GROMOS96 topology David van der Spoel
[gmx-users] Removing molecules from .trr and .gro Dallas Warren
- [gmx-users] Removing molecules from .trr and .gro K.A. Feenstra
[gmx-users] Re: Removing molecules from .trr and .gro Dallas Warren
- [gmx-users] Re: Removing molecules from .trr and .gro Erik Lindahl
  - [gmx-users] Re: Removing molecules from .trr and .gro K.A. Feenstra
- [gmx-users] Re: Removing molecules from .trr and .gro K.A. Feenstra
[gmx-users] segmentation fault subramaniam sivaraman
- [gmx-users] segmentation fault David van der Spoel
[gmx-users] (no subject) Andrei Neamtu
- [gmx-users] Cartesian coordinates-->internal coordinates Nguyen Hoang Phuong
  - [gmx-users] Cartesian coordinates-->internal coordinates Gerrit Groenhof
    - [gmx-users] Cartesian coordinates-->internal coordinates Nguyen Hoang Phuong
[gmx-users] segmentation fault David van der Spoel
[gmx-users] GROMOS96 topology David van der Spoel
[gmx-users] DPPC topology file aneamtu at iasi.mednet.ro
[gmx-users] Energy perturbation alexander yakovenko
- [gmx-users] Energy perturbation Anton Feenstra
[gmx-users] genion storme at rpi.edu
- [gmx-users] genion Dallas Warren
[gmx-users] genion storme at rpi.edu
- [gmx-users] genion Bert de Groot
  - [gmx-users] genion K.A. Feenstra
[gmx-users] for gromacs2.0 Xu Yong
- [gmx-users] for gromacs2.0 David van der Spoel
[gmx-users] gromacs2.0 Xu Yong
- [gmx-users] Scaling Problems Dallas Warren
  - [gmx-users] Scaling Problems Mehmet Suezen
    - [gmx-users] Scaling Problems Dallas Warren
    - [gmx-users] Scaling Problems K.A. Feenstra
  - [gmx-users] Scaling Problems K.A. Feenstra
[gmx-users] Re: Pull Code David L. Bostick
[gmx-users] g_msd David L. Bostick
[gmx-users] Hydrogen bonding analysis Dr. Y. U. Sasidhar
- [gmx-users] Hydrogen bonding analysis David
- [gmx-users] Hydrogen bonding analysis K.A. Feenstra
[gmx-users] rdf analyser Nestor Sanchez Fornillo
- [gmx-users] rdf analyser David
  - [gmx-users] rdf analyser Nestor Sanchez Fornillo
    - [gmx-users] rdf analyser David
[gmx-users] Dihedral angle restraints in NMR refinement Chris Spronk
- [gmx-users] Dihedral angle restraints in NMR refinement David van der Spoel
  - [gmx-users] Dihedral angle restraints in NMR refinement Chris Spronk
    - [gmx-users] Dihedral angle restraints in NMR refinement David van der Spoel
    - [gmx-users] Dihedral angle restraints in NMR refinement... Patrick Ladam
    - [gmx-users] Dihedral angle restraints in NMR refinement... David van der Spoel
    - [gmx-users] Dihedral angle restraints in NMR refinement... Patrick Ladam
    - [gmx-users] Dihedral angle restraints in NMR refinement... K.A. Feenstra
    - [gmx-users] Dihedral angle restraints in NMR refinement... David
    - [gmx-users] Dihedral angle restraints in NMR refinement... Chris Spronk
    - [gmx-users] Dihedral angle restraints in NMR refinement... Volker Knecht
    - [gmx-users] Dihedral angle restraints in NMR refinement... David van der Spoel
    - [gmx-users] Dihedral angle restraints in NMR refinement... K.A. Feenstra
    - [gmx-users] Dihedral angle restraints in NMR refinement... Patrick Ladam
    - [gmx-users] Dihedral angle restraints in NMR refinement... Erik Lindahl
    - [gmx-users] Dihedral angle restraints in NMR refinement... Chris Spronk
    - [gmx-users] compiling Gromacs on Sun cluster Choon Peng
    - [gmx-users] compiling Gromacs on Sun cluster Christoph Freudenberger
    - [gmx-users] angular momentum. Nguyen Hoang Phuong
    - [gmx-users] angular momentum. David van der Spoel
    - [gmx-users] angular momentum. K.A. Feenstra
    - [gmx-users] angular momentum. Erik Lindahl
    - [gmx-users] angular momentum. Nguyen Hoang Phuong
    - [gmx-users] angular momentum. Erik Lindahl
    - [gmx-users] compiling Gromacs on Sun cluster Choon Peng
    - [gmx-users] compiling Gromacs on Sun cluster Choon Peng
    - [gmx-users] compiling Gromacs on Sun cluster Erik Lindahl
    - [gmx-users] Multiple "Random" Molecule Placement Dallas Warren
[gmx-users] .xtc stopped ehab at biof.ufrj.br
- [gmx-users] .xtc stopped David
[gmx-users] Re: [gmx-users] convert an itp from gmx to olps? nicolis at guideo.fr
[gmx-users] about non-zero charged system xu yechun
- [gmx-users] about non-zero charged system David van der Spoel
[gmx-users] cluster hardware, gigabit Marc Lensink
- [gmx-users] cluster hardware, gigabit David van der Spoel
  - [gmx-users] cluster hardware, gigabit K.A. Feenstra
    - [gmx-users] cluster hardware, gigabit Bert de Groot
    - [gmx-users] cluster hardware, gigabit Anton Feenstra
    - [gmx-users] cluster hardware, gigabit Marc Lensink
[gmx-users] combining two .gro files Anton Feenstra
[gmx-users] bond deviates.... MOLTENI at unisi.it
- [gmx-users] bond deviates.... K.A. Feenstra
- [gmx-users] bond deviates.... David van der Spoel
[gmx-users] normal mode analysis Nguyen Hoang Phuong
- [gmx-users] normal mode analysis David
  - [gmx-users] normal mode analysis K.A. Feenstra
- [gmx-users] normal mode analysis Bert de Groot
  - [gmx-users] hard-walls Nguyen Hoang Phuong
    - [gmx-users] hard-walls David van der Spoel
[gmx-users] about position restraints in optimize xu yechun
- [gmx-users] about position restraints in optimize David van der Spoel
[gmx-users] Is an anybody using GROMACS utility "ffscan"? alexander yakovenko
- [gmx-users] Is an anybody using GROMACS utility "ffscan"? David van der Spoel
[gmx-users] grompp -r option hugo verli
- [gmx-users] grompp -r option David van der Spoel
[gmx-users] dmso-box Karin Bettinger
- [gmx-users] dmso-box David
  - [gmx-users] dmso-box Christoph Freudenberger
[gmx-users] problem with tpbconv s8026264 at sepahan.iut.ac.ir
- [gmx-users] problem with tpbconv David van der Spoel
[gmx-users] PRODRG running locally Alexandre Suman de Araujo
- [gmx-users] PRODRG running locally Daan Virtual
[gmx-users] Scaling Problems Lynne E. Bilston
- [gmx-users] Scaling Problems Dallas Warren
[gmx-users] oscillations in pressure (NPT) Valentin Gogonea
- [gmx-users] oscillations in pressure (NPT) Erik Lindahl
[gmx-users] genbox with mixture solvent YQ Liu
- [gmx-users] genbox with mixture solvent David
[gmx-users] help for group with different temperature YQ Liu
- [gmx-users] help for group with different temperature David
[gmx-users] genbox with mixture solvent YQ Liu
[gmx-users] about position restraints in optimize xu yechun
- [gmx-users] about position restraints in optimize David van der Spoel
- [gmx-users] about position restraints in optimize Erik Lindahl
  - [gmx-users] Flow Chart for using GROMACS Dallas Warren
    - [gmx-users] Flow Chart for using GROMACS Erik Lindahl
[gmx-users] about position restraints in optimize xu yechun
[gmx-users] .mdp files subramaniam sivaraman
- [gmx-users] .mdp files David van der Spoel
- [gmx-users] .mdp files Dr. Y. U. Sasidhar
- [gmx-users] .mdp files Erik Lindahl
[gmx-users] Re: about position restraints in optimize xu yechun
[gmx-users] parallel with network mojtaba alaei
- [gmx-users] parallel with network David
[gmx-users] g_chi output John Kerrigan
- [gmx-users] g_chi output David van der Spoel
  - [gmx-users] small molecule topologies with PRODRG Daan Virtual
    - [gmx-users] small molecule topologies with PRODRG Alexandre Suman de Araujo
[gmx-users] flowchart John Kerrigan
- [gmx-users] flowchart K.A. Feenstra
[gmx-users] wrong parametrization of F atom alexander yakovenko
- [gmx-users] wrong parametrization of F atom David
[gmx-users] analysis of backbone torsion angles subramaniam sivaraman
- [gmx-users] analysis of backbone torsion angles David
  - [gmx-users] analysis of backbone torsion angles Richard Filmer
[gmx-users] PRODRG topology server problem! pqchen at eyou.com
- [gmx-users] PRODRG topology server problem! Erik Lindahl
- [gmx-users] PRODRG topology server problem! Daan Virtual
- [gmx-users] PRODRG topology server problem! Daan Virtual
- [gmx-users] PRODRG topology server problem! Alexandre Suman de Araujo
  - [gmx-users] PRODRG topology server problem! Christoph Freudenberger
    - [gmx-users] PRODRG topology server problem! Alexandre Suman de Araujo
[gmx-users] cholesterol Patricia Soto
- [gmx-users] cholesterol David L. Bostick
[gmx-users] error in parallel with network mojtaba alaei
- [gmx-users] error in parallel with network Erik Lindahl
- [gmx-users] error in parallel with network Dallas Warren
[gmx-users] coding own analysis tools Christoph Freudenberger
- [gmx-users] coding own analysis tools Christoph Freudenberger
  - [gmx-users] coding own analysis tools David
[gmx-users] How to include bonded parameters in ffgmxbon.itp? Alexandre Suman de Araujo
- [gmx-users] How to include bonded parameters in ffgmxbon.itp? Erik Lindahl
  - [gmx-users] How to include bonded parameters in ffgmxbon.itp? K.A. Feenstra
    - [gmx-users] How to include bonded parameters in ffgmxbon.itp? Alexandre Suman de Araujo
    - [gmx-users] How to include bonded parameters in ffgmxbon.itp? K.A. Feenstra
    - [gmx-users] How to include bonded parameters in ffgmxbon.itp? Erik Lindahl
[gmx-users] internal MPI error: GER overflow Dr. Y. U. Sasidhar
- [gmx-users] internal MPI error: GER overflow Erik Lindahl
  - [gmx-users] internal MPI error: GER overflow David
[gmx-users] Reordering out.gro after mdrun_mpi Christoph Freudenberger
- [gmx-users] Reordering out.gro after mdrun_mpi David van der Spoel
[gmx-users] current CVS version and AFM pull code Frauke Meyer
[gmx-users] constant area and normal pressure David L. Bostick
[gmx-users] reading frame details subramaniam sivaraman
- [gmx-users] reading frame details David van der Spoel
[gmx-users] g_rms on large (1.5 GB) trr file K.A. Feenstra
[gmx-users] Genion and number of Ions Marc Saric
- [gmx-users] Genion and number of Ions Volker Knecht
- [gmx-users] Genion and number of Ions David van der Spoel
[gmx-users] g_cluster Sebastien Santini
- [gmx-users] g_cluster K.A. Feenstra
- [gmx-users] g_cluster David van der Spoel
[gmx-users] genion and *.gro-file error ? Marc Saric
[gmx-users] [gmx-users]Strange statistics when running parallel Gromacs Paulo S. L. de Oliveira
- [gmx-users] [gmx-users]Strange statistics when running parallel Gromacs David van der Spoel
- [gmx-users] Re: Strange statistics when running parallel Gromacs Dallas Warren
  - [gmx-users] Re: Strange statistics when running parallel Gromacs Erik Lindahl
[gmx-users] Re: Genion and number of Ions (David van der Spoel) Marc Saric
- [gmx-users] Re: Genion and number of Ions (David van der Spoel) David
- [gmx-users] Re: Genion and number of Ions (David van der Spoel) Christoph Freudenberger
  - [gmx-users] Re: Genion and number of Ions (David van der Spoel) K.A. Feenstra
    - [gmx-users] Re: Genion and number of Ions (David van der Spoel) Christoph Freudenberger
    - [gmx-users] Re: Genion and number of Ions (David van der Spoel) David
[gmx-users] dihedral restraints David van der Spoel
- [gmx-users] dihedral restraints Chris Spronk
[gmx-users] Large VCM in position restrained MD ireena bagai
- [gmx-users] Large VCM in position restrained MD David
[gmx-users] -shell in genbox Dmitry Kovalsky
- [gmx-users] -shell in genbox David van der Spoel
[gmx-users] Re: Genion and number of Ions Marc Saric
- [gmx-users] Re: Genion and number of Ions David
[gmx-users] problem in md of methanol box 刘松柏
- [gmx-users] problem in md of methanol box David van der Spoel
[gmx-users] minimum size for systems Christoph Freudenberger
[gmx-users] Lorentz-Berthelot mixing rules Oliver Konrad
[gmx-users] gromacs charges quantix1 at gmx.de
- [gmx-users] gromacs charges Erik Lindahl
  - [gmx-users] gromacs charges Valentin Gogonea
    - [gmx-users] gromacs charges Erik Lindahl
- [gmx-users] gromacs charges David van der Spoel
[gmx-users] best way to create a pdb file. Senthil Kandasamy
- [gmx-users] best way to create a pdb file. K.A. Feenstra
[gmx-users] conformational study of a dual domain protein olivier walker
- [gmx-users] conformational study of a dual domain protein David
- [gmx-users] conformational study of a dual domain protein K.A. Feenstra
  - [gmx-users] conformational study of a dual domain protein Bert de Groot
    - [gmx-users] conformational study of a dual domain protein David van der Spoel
[gmx-users] Re: -shell in genbox Dmitry Kovalsky
[gmx-users] ffgmx2 can be used for non-protein molecules 刘松柏
- [gmx-users] ffgmx2 can be used for non-protein molecules K.A. Feenstra
- [gmx-users] ffgmx2 can be used for non-protein molecules David van der Spoel
[gmx-users] Termini for a collection of fractions of protein in one pdb file Markus O Kaukonen
- [gmx-users] Termini for a collection of fractions of protein in one pdb file David van der Spoel
[gmx-users] Re: gmx-users digest, Vol 1 #417 - 2 msgs Marc Saric
[gmx-users] Symmetry Shrivastava, Indira (NIH/NCI)
- [gmx-users] Symmetry David

Last message date: Mon Sep 30 23:48:16 CEST 2002
Archived on: Thu Nov 14 11:59:42 CET 2013

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