May 2005 Archives by thread

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Starting: Mon May 2 03:32:10 CEST 2005
Ending: Tue May 31 23:58:21 CEST 2005
Messages: 534

• [gmx-users] gmx v3.1 vs v3.2   Derrick Guang Yuh Lee
• [gmx-users] GDP and GTP topologies   Sekar Ramachandran
  • [gmx-users] GDP and GTP topologies   Ruben M Buey
• [gmx-users] RE: Converting from AMBER to GROMACS   Anton Feenstra
  • [gmx-users] RE: Converting from AMBER to GROMACS   Jordi Camps
    • [gmx-users] RE: Converting from AMBER to GROMACS   Anton Feenstra
• [gmx-users] non-Myrinet Gromacs   Krewson, Tom
  • [gmx-users] non-Myrinet Gromacs   Yang Ye
    • [gmx-users] non-Myrinet Gromacs   David van der Spoel
      • [gmx-users] non-Myrinet Gromacs   Anton Feenstra
• [gmx-users] linux cluster performance   Alok
  • [gmx-users] linux cluster performance   David
    • [gmx-users] linux cluster performance   Christian Burisch
• [gmx-users] Gromacs 3.2.1 fftw and compatible lam versions   Krewson, Tom
  • [gmx-users] Gromacs 3.2.1 fftw and compatible lam versions   David
• [gmx-users] Fwd: asking for help with dual-topology for TI   Lei Zhou
  • [gmx-users] Fwd: asking for help with dual-topology for TI   Anton Feenstra
• [gmx-users] total charge   Lei Zhou
• [gmx-users] dual-core performance   Justin MacCallum
  • [gmx-users] dual-core performance   David van der Spoel
    • [gmx-users] dual-core performance   Anton Feenstra
    • [gmx-users] dual-core performance   Erik Lindahl
• [gmx-users] Pressure coupling for bilayer   itai bloch
  • [gmx-users] Pressure coupling for bilayer   Itamar Kass
    • [gmx-users] Pressure coupling for bilayer   Anton Feenstra
• [gmx-users] calculate torsional energy of the ligand from the trajectory   Minami Mo
  • [gmx-users] calculate torsional energy of the ligand from the trajectory   David
    • [gmx-users] calculate torsional energy of the ligand from the trajectory   Anton Feenstra
• [gmx-users] Pymol pdb   Chris Gaughan
• [gmx-users] total charge   Anton Feenstra
• [gmx-users] Something is wrong with parallel runs   Anton Feenstra
• [gmx-users] Different coulomb energies of protein by Cut-off and PME   Anton Feenstra
• [gmx-users] calculate torsional energy of the ligand from the trajectory (fwd)   David van der Spoel
  • [gmx-users] calculate torsional energy of the ligand from thetrajectory (fwd)   Nancy Deng
    • [gmx-users] g_cluster   Nancy Deng
      • [gmx-users] g_cluster   David
      • [gmx-users] g_cluster   Nancy Deng
      • [gmx-users] index definition   Nancy Deng
      • [gmx-users] index definition   diego vallejo
      • [gmx-users] index definition   Nancy Deng
• [gmx-users] Questions regarding the Vacuum force field and Histidine charges   Joanne Hanna
  • [gmx-users] Questions regarding the Vacuum force field and Histidine charges   Xavier Periole
• [gmx-users] Would you please help me with distribution function?   tetyana orynchak
  • [gmx-users] Would you please help me with distribution function?   Anton Feenstra
• [gmx-users] CVS build on AIX   David Skinner
  • [gmx-users] CVS build on AIX   Yang Ye
  • [gmx-users] CVS build on AIX   Erik Lindahl
• [gmx-users] VCM   Michal Kolinski
  • [gmx-users] VCM   David van der Spoel
• [gmx-users] pbc = xy   Jennifer Rendell
  • [gmx-users] pbc = xy   David
    • [gmx-users] pbc = xy   David L. Bostick
  • [gmx-users] pbc = xy   Berk Hess
• [gmx-users] adding a weak harmonic potential on one box side   Jennifer Rendell
• [gmx-users] Questions regarding the Vacuum force field andHistidine charges   Joanne Hanna
  • [gmx-users] Questions regarding the Vacuum force field andHistidine charges   Xavier Periole
• [gmx-users] Questions regarding the Vacuum forcefield andHistidine charges   Joanne Hanna
  • [gmx-users] Questions regarding the Vacuum forcefield andHistidine charges   Steven Spronk
• [gmx-users] Fftw and gromac build   Krewson, Tom
  • [gmx-users] Fftw and gromac build   Erik Lindahl
• [gmx-users] Questions regarding the Vacuum forcefield andHistidinecharges   Joanne Hanna
  • [gmx-users] Questions regarding the Vacuum forcefield andHistidinecharges   Anton Feenstra
• [gmx-users] LR coulomb interaction   Michal Kolinski
  • [gmx-users] LR coulomb interaction   David
  • [gmx-users] LR coulomb interaction   Steven Spronk
• [gmx-users] Fftw and gromac build   Erik Lindahl
• [gmx-users] Fftw and gromac build   Krewson, Tom
• [gmx-users] Grompp Error (No default Ryckaert-Bell)   Dongsheng Zhang
• [gmx-users] index definition   diego vallejo
  • [gmx-users] index definition   Nancy Deng
• [gmx-users] How do I run sd, cg in Gromacs 3.2   supakar at spymac.com
• [gmx-users] help!   xi zhao
  • [gmx-users] help!   David van der Spoel
• [gmx-users] Counting particles in a particular region   xi zhao
  • [gmx-users] Counting particles in a particular region   Oliver Beckstein
• [gmx-users] LR coulomb interaction ?   Michal Kolinski
• [gmx-users] LR coulomb interaction ?   Michal Kolinski
• [gmx-users] Counting particles in a particular region   xi zhao
• [gmx-users] Short simulation   Anthony Cruz
  • [gmx-users] Short simulation   David van der Spoel
    • [gmx-users] Short simulation   Anthony Cruz
      • [gmx-users] Short simulation   David van der Spoel
      • [gmx-users] multiple "define" statements...   Ken Rotondi
      • [gmx-users] multiple "define" statements...   David van der Spoel
• [gmx-users] parallel run errors   Ramachandra Rao Gullapalli
  • [gmx-users] parallel run errors   Andrey V. Golovin
  • [gmx-users] parallel run errors   Sandeep Somani
• [gmx-users] parallel run errors   Ramachandra Rao Gullapalli
  • [gmx-users] parallel run errors   Anton Feenstra
• [gmx-users] (no subject)   Jason de Joannis
• [gmx-users] LR coulomb intractions   strony_w_w_w at op.pl
• [gmx-users] help!   xi zhao
• [gmx-users] Counting particles in a particular region   xi zhao
  • [gmx-users] Counting particles in a particular region   Steven Spronk
• [gmx-users] question   protim chakraborti
  • [gmx-users] question   David van der Spoel
• [gmx-users] New GROMOS FF   Maik Goette
  • [gmx-users] New GROMOS FF   Anton Feenstra
    • [gmx-users] New GROMOS FF   Maik Goette
      • [gmx-users] New GROMOS FF   Xavier Periole
      • [gmx-users] New GROMOS FF   Andrey V. Golovin
      • [gmx-users] New GROMOS FF   Maik Goette
• [gmx-users] changing t0 with eneconv   Alexandre Suman de Araujo
• [gmx-users] ED postional fluctuation   Andrea Carotti
  • [gmx-users] ED postional fluctuation   Berk Hess
  • [gmx-users] ED postional fluctuation   Anton Feenstra
• [gmx-users] Tethering   Joanne Hanna
  • [gmx-users] Tethering   David van der Spoel
• [gmx-users] Tethering   Joanne Hanna
  • [gmx-users] Tethering   T.A.Wassenaar
• [gmx-users] Tethering   Joanne Hanna
  • [gmx-users] Tethering   David van der Spoel
    • [gmx-users] Tethering   Anton Feenstra
• [gmx-users] g_lie and PME   Lei Zhou
  • [gmx-users] g_lie and PME   Anton Feenstra
    • [gmx-users] g_lie and PME   Jens Krüger
    • [gmx-users] g_lie and PME   Lei Zhou
• [gmx-users] How to screen Coulomb interactions between some pairs.   xieyh at hkusua.hku.hk
  • [gmx-users] How to screen Coulomb interactions between some pairs.   David
• [gmx-users] How to screen Coulomb interactions between some pairs.   xieyh at hkusua.hku.hk
• [gmx-users] screen Coulomb interactions.   xieyh at hkusua.hku.hk
  • [gmx-users] screen Coulomb interactions.   David van der Spoel
• [gmx-users] merge option in pdb2gmx   Valentin Gogonea
  • [gmx-users] merge option in pdb2gmx   David van der Spoel
    • [gmx-users] merge option in pdb2gmx   Anton Feenstra
• [gmx-users] [merge option in pdb2gmx   Valentin Gogonea
  • [gmx-users] [merge option in pdb2gmx   David van der Spoel
    • [gmx-users] [merge option in pdb2gmx   Valentin Gogonea
      • [gmx-users] [merge option in pdb2gmx   David van der Spoel
      • [gmx-users] [merge option in pdb2gmx   Valentin Gogonea
      • [gmx-users] [merge option in pdb2gmx   David
      • [gmx-users] [merge option in pdb2gmx   Valentin Gogonea
• [gmx-users] grompp fatal error   Wang Zhun
  • [gmx-users] grompp fatal error   Anton Feenstra
  • [gmx-users] grompp fatal error   Wang Zhun
    • [gmx-users] grompp fatal error   Anton Feenstra
• [gmx-users] trjconv stops abruptly   Ashish Gupta
  • [gmx-users] trjconv stops abruptly   Anton Feenstra
• [gmx-users] screen Coulomb interactions.   xieyh at hkusua.hku.hk
  • [gmx-users] screen Coulomb interactions.   Anton Feenstra
• [gmx-users] 1-4 interaction VS. normal Coulomb interaction   xieyh at hkusua.hku.hk
• [gmx-users] Help with eneconv   Alexandre Suman de Araujo
  • [gmx-users] Help with eneconv   Xavier Periole
    • [gmx-users] Help with eneconv   Alexandre Suman de Araujo
      • [gmx-users] Help with eneconv   Berk Hess
      • [gmx-users] Help with eneconv   Alexandre Suman de Araujo
      • [gmx-users] Help with eneconv   Xavier Periole
      • [gmx-users] Help with eneconv   Anton Feenstra
• [gmx-users] Counting particles in a particular region   xi zhao
• [gmx-users] Atom Types, grompp problem!!   Una Bjarnadottir
  • [gmx-users] Atom Types, grompp problem!!   David
• [gmx-users] Grompp error   Monique Brito
  • [gmx-users] Grompp error   Andrea Carotti
    • [gmx-users] Grompp error   Anton Feenstra
• [gmx-users] OPLS and FEP parameters   Maik Goette
• [gmx-users] Problem compiling GROMACS 3.2.1 with GCC 4.0.0   Arijit Tarafdar
  • [gmx-users] Problem compiling GROMACS 3.2.1 with GCC 4.0.0   David
    • [gmx-users] Problem compiling GROMACS 3.2.1 with GCC 4.0.0   Arijit Tarafdar
• [gmx-users] Help!   Simonetta Soro
  • [gmx-users] Help!   David
• [gmx-users] (no subject)   ksr at chemistry.umass.edu
  • [gmx-users] (no subject)   Berk Hess
    • [gmx-users] CVS REMD   ksr at chemistry.umass.edu
      • [gmx-users] CVS REMD   David
• [gmx-users] Atom Types, grompp problem!!   Una Bjarnadottir
  • [gmx-users] Atom Types, grompp problem!!   David
• [gmx-users] (no subject)   Anton Feenstra
• [gmx-users] g_analyze   herbst at fhi-berlin.mpg.de
  • [gmx-users] g_analyze   Berk Hess
• [gmx-users] how to order atoms in GRO acording groups ?   SemteX
  • [gmx-users] how to order atoms in GRO acording groups ?   Anton Feenstra
• [gmx-users] Atom Types, grompp problem!!   Una Bjarnadottir
  • [gmx-users] Atom Types, grompp problem!!   David van der Spoel
    • [gmx-users] Atom Types, grompp problem!!   Anton Feenstra
• [gmx-users] How to fix four different atoms of diffrent residue in tetrahedral geometry while MD.   Anil Kumar
  • [gmx-users] How to fix four different atoms of diffrent residue in tetrahedral geometry while MD.   Anton Feenstra
• [gmx-users] potential energy   Anton Feenstra
• [gmx-users] energy units   Anton Feenstra
• [gmx-users] MD on a protein region   Anton Feenstra
• [gmx-users] solvent molecules between protein-peptide complex   Anton Feenstra
  • [gmx-users] solvent molecules between....another question...   acorrea at unisa.it
• [gmx-users] Box dimension-Mdrun   Anton Feenstra
• [gmx-users] Time reversibility and settle   Francesco Mercuri
  • [gmx-users] Time reversibility and settle   Berk Hess
• [gmx-users] Grompp error!!!   Monique Brito
• [gmx-users] New Gromos FF   Rainer Böckmann
• [gmx-users] New Gromos FF   Rainer Böckmann
• [gmx-users] getting started   Joshua D. Moore
• [gmx-users] TOPIC: PROBLEM WITH CENTRING PROTEIN IN A BOX   Vlad Scepanovsky
• [gmx-users] exclusions indices   xieyh at hkusua.hku.hk
  • [gmx-users] exclusions indices   David van der Spoel
• [gmx-users] Re: gmx-users Digest, Vol 13, Issue 28   Alessandra Villa
• [gmx-users] New GROMOS FF   Alessandra Villa
• [gmx-users] LINCS constrain problem   Osmany Guirola Cruz
• [gmx-users] Lincs again   Osmany Guirola Cruz
  • [gmx-users] Lincs again   Haberl Florian
    • [gmx-users] Lincs again   Osmany Guirola Cruz
      • [gmx-users] Lincs again   Kai Zhuang
      • [gmx-users] Lincs again   Osmany Guirola Cruz
• [gmx-users] Re: gmx-users Digest, Vol 13, Issue 26   Anil Kumar
• [gmx-users] ED sampling   Thomas Stockner
  • [gmx-users] ED sampling   Bert de Groot
• [gmx-users] .top error question   Ramachandra Rao Gullapalli
  • [gmx-users] .top error question   Kai Zhuang
    • [gmx-users] .top error question   Anton Feenstra
• [gmx-users] Time reversibility and settle   Francesco Mercuri
  • [gmx-users] Time reversibility and settle   Berk Hess
• [gmx-users] shell water and epsilon   David L. Bostick
  • [gmx-users] shell water and epsilon   David van der Spoel
    • [gmx-users] shell water and epsilon   David L. Bostick
      • [gmx-users] shell water and epsilon   David
• [gmx-users] How to apply distance restraints.   Kirti Patel
• [gmx-users] Values for pairs, when attached to the topology...?   Maik Goette
  • [gmx-users] Values for pairs, when attached to the topology...?   Berk Hess
    • [gmx-users] Values for pairs, when attached to the topology...?   Maik Goette
      • [gmx-users] Values for pairs, when attached to the topology...?   Berk Hess
      • [gmx-users] Excessive compute time using PME   Jordi Camps
      • [gmx-users] Excessive compute time using PME   David
      • [gmx-users] Excessive compute time using PME   Jordi Camps
      • [gmx-users] Excessive compute time using PME   David
      • [gmx-users] Excessive compute time using PME   Jordi Camps
      • [gmx-users] Excessive compute time using PME   David van der Spoel
      • [gmx-users] Excessive compute time using PME   Jordi Camps
      • [gmx-users] Excessive compute time using PME   David van der Spoel
      • [gmx-users] Excessive compute time using PME   Jordi Camps
      • [gmx-users] Excessive compute time using PME   Anton Feenstra
      • [gmx-users] Excessive compute time using PME   Jordi Camps
      • [gmx-users] Excessive compute time using PME   David van der Spoel
      • [gmx-users] Excessive compute time using PME   Jordi Camps
      • [gmx-users] Velocity units   Jordi Camps
      • [gmx-users] Velocity units   David
• [gmx-users] LysH sidechain charges in OPLS   Robert Hughes
• [gmx-users] ED sampling and overall rotation   Thomas Stockner
  • [gmx-users] ED sampling and overall rotation   Bert de Groot
• [gmx-users] [Pairs] parameters input format   Paul A. Rowntree
  • [gmx-users] [Pairs] parameters input format   Berk Hess
• [gmx-users] about double precision gromacs run   protim chakraborti
  • [gmx-users] about double precision gromacs run   Haberl Florian
• [gmx-users] Differences in the values of RMSD   Jair
  • [gmx-users] Differences in the values of RMSD   David
• [gmx-users] LIE equation   Cesar Lopez
  • [gmx-users] LIE equation   David
• [gmx-users] about complex MD   Natapol Pornputtapong
  • [gmx-users] about complex MD   David
• [gmx-users] Bob Arenburg/Austin/IBM is out of the office.   Bob Arenburg
• [gmx-users] Trajectory Problem   Anthony Cruz
  • [gmx-users] Trajectory Problem   David van der Spoel
    • [gmx-users] Trajectory Problem   Anthony Cruz
      • [gmx-users] Trajectory Problem   David van der Spoel
      • [gmx-users] Trajectory Problem   Anthony Cruz
      • [gmx-users] Trajectory Problem   David van der Spoel
• Fwd: Re: [gmx-users] Differences in the values of RMSD   Jair
• [gmx-users] ACE group in OPLS   Robert Hughes
  • [gmx-users] ACE group in OPLS   Uwe Richter
• [gmx-users] limitations in tau_t and ref_t values   Monique Brito
  • [gmx-users] limitations in tau_t and ref_t values   Berk Hess
    • [gmx-users] Avoiding calculation on some degrees of freedom   gianluca santarossa
      • [gmx-users] Avoiding calculation on some degrees of freedom   David van der Spoel
      • [gmx-users] Avoiding calculation on some degrees of freedom   gianluca.santarossa
      • [gmx-users] Avoiding calculation on some degrees of freedom   David van der Spoel
      • [gmx-users] Avoiding calculation on some degrees of freedom   Anton Feenstra
  • [gmx-users] limitations in tau_t and ref_t values   David van der Spoel
• [gmx-users] Re: about complex MD   Natapol Pornputtapong
  • [gmx-users] Re: about complex MD   David van der Spoel
• [gmx-users] Trajectory Problem   Jian Zou
  • [gmx-users] Trajectory Problem   T.A.Wassenaar
• [gmx-users] Tethering   Joanne Hanna
  • [gmx-users] Tethering   David van der Spoel
  • [gmx-users] Tethering   Anton Feenstra
• [gmx-users] Vacuum Simulation   Joanne Hanna
• [gmx-users] Simulated Annealing   Joanne Hanna
• [gmx-users] Normal Mode Analysis on Calphas only ??   Marc Baaden
  • [gmx-users] Normal Mode Analysis on Calphas only ??   Xavier Periole
  • [gmx-users] Normal Mode Analysis on Calphas only ??   Berk Hess
    • [gmx-users] Normal Mode Analysis on Calphas only ??   Bert de Groot
    • [gmx-users] Normal Mode Analysis on Calphas only ??   Berk Hess
  • [gmx-users] Normal Mode Analysis on Calphas only ??   Nguyen Hoang Phuong
    • [gmx-users] Normal Mode Analysis on Calphas only ??   Marc Baaden
      • [gmx-users] Normal Mode Analysis on Calphas only ??   Berk Hess
• [gmx-users] Root-mean-square deviation   Gia Maisuradze
  • [gmx-users] Root-mean-square deviation   Gia Maisuradze
    • [gmx-users] Root-mean-square deviation   Ran Friedman
      • [gmx-users] Root-mean-square deviation   Gia Maisuradze
• [gmx-users] name a molecule   Jian Zou
• [gmx-users] Having some lam issues   Dallas B. Warren
• [gmx-users] Using different versions of gromacs for a given simulation   sunita at chem.iitb.ac.in
  • [gmx-users] Using different versions of gromacs for a given simulation   David van der Spoel
• [gmx-users] restarting on different cpu   acorrea at unisa.it
  • [gmx-users] restarting on different cpu   David van der Spoel
    • [gmx-users] restarting on different cpu   acorrea at unisa.it
• [gmx-users] [Fwd: kindly help!]   David van der Spoel
• [gmx-users] read trr by Fortran   xzp02 at mails.tsinghua.edu.cn
  • [gmx-users] read trr by Fortran   David van der Spoel
    • [gmx-users] extract coordinates from tpr files   gianluca santarossa
      • [gmx-users] extract coordinates from tpr files   David van der Spoel
      • [gmx-users] extract coordinates from tpr files   Anton Feenstra
• [gmx-users] Normal mode eigenvalue units, nm^-2 ??   Marc Baaden
  • [gmx-users] Normal mode eigenvalue units, nm^-2 ??   Nguyen Hoang Phuong
    • [gmx-users] Normal mode eigenvalue units, nm^-2 ??   Berk Hess
      • [gmx-users] Normal mode eigenvalue units, nm^-2 ??   Marc Baaden
      • [gmx-users] Normal mode eigenvalue units, nm^-2 ??   Berk Hess
      • [gmx-users] Normal mode eigenvalue units, nm^-2 ??   Marc Baaden
      • [gmx-users] Normal mode eigenvalue units, nm^-2 ??   Berk Hess
• [gmx-users] Having some lam issues   Dallas B. Warren
• [gmx-users] Retaining only .xtc files and deleting .trr files   sunita at chem.iitb.ac.in
  • [gmx-users] Retaining only .xtc files and deleting .trr files   Kai Zhuang
    • [gmx-users] Retaining only .xtc files and deleting .trr files   sunita at chem.iitb.ac.in
      • [gmx-users] Retaining only .xtc files and deleting .trr files   Anton Feenstra
      • [gmx-users] Retaining only .xtc files and deleting .trr files   Kai Zhuang
      • [gmx-users] Retaining only .xtc files and deleting .trr files   sunita at chem.iitb.ac.in
• [gmx-users] generating gro files using pdb2gmx without adding hydrogen   balamurugan r
  • [gmx-users] generating gro files using pdb2gmx without adding hydrogen   David van der Spoel
  • [gmx-users] generating gro files using pdb2gmx without adding hydrogen   Kai Zhuang
• [gmx-users] compiled version   Stefania Albrizio
  • [gmx-users] compiled version   Andrea Carotti
• [gmx-users] Salt bridges   Andrea Carotti
• [gmx-users] Trajectory Problem   Jian Zou
  • [gmx-users] molecule name conflict? [was: Trajectory Problem]   Anton Feenstra
• [gmx-users] Teethering/ Fatal error when using posre   Joanne Hanna
  • [gmx-users] Teethering/ Fatal error when using posre   David van der Spoel
• [gmx-users] Teethering/ Fatal error when using posre   Joanne Hanna
• [gmx-users] Teethering/ Fatal error when using posre   Joanne Hanna
• [gmx-users] Re: Excessive compute time using PME   Jason de Joannis
• [gmx-users] Grompp error   Monique Brito
  • [gmx-users] Grompp error   David van der Spoel
    • [gmx-users] Grompp error   Anton Feenstra
• [gmx-users] rlist   Anton Feenstra
• [gmx-users] Help: Analysis large interdomain motion   Anton Feenstra
• [gmx-users] Solvent Optimization   M.Naser
  • [gmx-users] Solvent Optimization   David van der Spoel
• [gmx-users] g_angle output   UCT Staff Member - Jackson
  • [gmx-users] g_angle output   David van der Spoel
• [gmx-users] g_rms Fatal error: Error: Too many iterations in routine JACOBI   Anthony Cruz
  • [gmx-users] g_rms Fatal error: Error: Too many iterations in routine JACOBI   Xavier Periole
    • [gmx-users] g_rms Fatal error: Error: Too many iterations in routine JACOBI   Anton Feenstra
    • [gmx-users] g_rms Fatal error: Error: Too many iterations in routine JACOBI   Anthony Cruz
      • [gmx-users] g_rms Fatal error: Error: Too many iterations in routine JACOBI   Xavier Periole
      • [gmx-users] g_rms Fatal error: Error: Too many iterations in routine JACOBI   Anthony Cruz
• [gmx-users] Invalid directive dihherals with H   Farid Sa'Adedin
• [gmx-users] Invalid directive dihherals with H   Farid Sa'Adedin
  • [gmx-users] Invalid directive dihherals with H   David
    • [gmx-users] Invalid directive dihherals with H   Farid Sa'Adedin
      • [gmx-users] Invalid directive dihherals with H   David
      • [gmx-users] Invalid directive dihherals with H   Farid Sa'Adedin
      • [gmx-users] Invalid directive dihherals with H   David van der Spoel
      • [gmx-users] Invalid directive dihherals with H   Farid Sa'Adedin
• [gmx-users] Grompp error ---Thanks!   Monique Brito
• [gmx-users] energy_excl in vacuum.   xieyh at hkusua.hku.hk
  • [gmx-users] energy_excl in vacuum.   David van der Spoel
• [gmx-users] g_rdf: angle dependence and normalization   Attilio
• [gmx-users] install-topolDATA] Error 1   Lin Zhen
  • [gmx-users] install-topolDATA] Error 1   David van der Spoel
    • [gmx-users] Question about g_dist   Vlad Scepanovsky
      • [gmx-users] Question about g_dist   Anton Feenstra
      • [gmx-users] Question about g_dist. Any links.   Vlad Scepanovsky
      • [gmx-users] Question about g_dist. Any links.   Anton Feenstra
• [gmx-users] calculation of pKa   balamurugan r
• [gmx-users] visualizing CONCOORD trayectory   Ruben Martinez-Buey
  • [gmx-users] visualizing CONCOORD trayectory   Bert de Groot
  • [gmx-users] visualizing CONCOORD trayectory   Nuno R. L. Ferreira
    • [gmx-users] visualizing CONCOORD trayectory   Ran Friedman
  • [gmx-users] visualizing CONCOORD trayectory   Maik Goette
    • [gmx-users] visualizing CONCOORD trayectory   David van der Spoel
• [gmx-users] how to set "gen_vel" in mdp file and continue a crashed run   Jian Zou
  • [gmx-users] how to set "gen_vel" in mdp file and continue a crashed run   Xavier Periole
• [gmx-users] problem with genion   Youkun Gao
• [gmx-users] how much faster it is?   Marcin Wojdyr
  • [gmx-users] how much faster it is?   David
• [gmx-users] TIP5P-E water   Lin Zhen
  • [gmx-users] TIP5P-E water   David
• [gmx-users] restraints   David Mobley
• [gmx-users] Restart from .gro and tip4p water   Francesco Mercuri
  • [gmx-users] Restart from .gro and tip4p water   David van der Spoel
• [gmx-users] problem with genion   Dallas B. Warren
• [gmx-users] how to set "gen_vel" in mdp file and continue   Jian Zou
  • [gmx-users] how to set "gen_vel" in mdp file and continue   X.Periole
    • [gmx-users] set gen_vel   Jair
      • [gmx-users] set gen_vel   David
      • [gmx-users] Conversion   Jordi Camps
      • [gmx-users] Conversion   Anton Feenstra
  • [gmx-users] how to set "gen_vel" in mdp file and continue   David van der Spoel
• [gmx-users] constraints and PME options   Jian Zou
  • [gmx-users] constraints and PME options   David van der Spoel
• [gmx-users] molecule name conflict?   Jian Zou
• [gmx-users] adding a metal ion to the force field   balamurugan r
  • [gmx-users] adding a metal ion to the force field   David van der Spoel
• [gmx-users] how to set "gen_vel" in mdp file and continue a crashed run   Jian Zou
  • [gmx-users] how to set "gen_vel" in mdp file and continue a crashed run   Xavier Periole
• [gmx-users] adding a metal ion to the force field   Jian Zou
• [gmx-users] how to set "gen_vel" in mdp file and continue a crashed run   Jian Zou
  • [gmx-users] how to set "gen_vel" in mdp file and continue a crashed run   Xavier Periole
• [gmx-users] Help with position restrains for heterodimer system.   itai bloch
  • [gmx-users] Help with position restrains for heterodimer system.   Xavier Periole
    • [gmx-users] Help with position restrains for heterodimer system.   Xavier Periole
    • [gmx-users] Help with position restrains for heterodimer system.   itai bloch
  • [gmx-users] Help with position restrains for heterodimer system.   Xavier Periole
• [gmx-users] how to set "gen_vel" in mdp file and continue a crashed run   Jian Zou
• [gmx-users] Atom type of the carbon atom in S=C- for Gromacs force filed?   Zhiguo Liu
  • [gmx-users] Atom type of the carbon atom in S=C- for Gromacs force filed?   David
    • [gmx-users] Adding ions   Jordi Camps
      • [gmx-users] Adding ions   Kai Zhuang
      • [gmx-users] Adding ions   Jordi Camps
• [gmx-users] MD simulations of flexible CO2   iskarmou at cc.uoa.gr
  • [gmx-users] MD simulations of flexible CO2   David
    • [gmx-users] MD simulations of flexible CO2   iskarmou at cc.uoa.gr
      • [gmx-users] MD simulations of flexible CO2   David van der Spoel
• [gmx-users] Iron in OPLS   Prasad Gajula
  • [gmx-users] Iron in OPLS   Maik Goette
• [gmx-users] zero temperature bug revisited when using frozen groups   ying-hua-chung at uiowa.edu
• [gmx-users] How to get the last shapshot from md.trr or md.xtc file   chiloo Laohpongspaisan
  • [gmx-users] How to get the last shapshot from md.trr or md.xtc file   X.Periole
• [gmx-users] Atom type of the carbon atom in S=C- for Gromacsforce filed?   Zhiguo Liu
• [gmx-users] writing script to analyze gmx data   Jian Zou
  • [gmx-users] writing script to analyze gmx data   X.Periole
• [gmx-users] writing script to analyze gmx data   Zhiguo Liu
  • [gmx-users] writing script to analyze gmx data   David van der Spoel
• [gmx-users] need help   protim chakraborti
  • [gmx-users] need help   David van der Spoel
  • [gmx-users] need help   Pradip Kumar Biswas
• [gmx-users] writing a script to analyze gmx data (Jian Zou)   Kia Balali-Mood
• [gmx-users] restart a crashed run with pull.ppa   Jian Zou
• [gmx-users] writing script to analyze gmx data   Jian Zou
• [gmx-users] rephrase my question about torsional restraints   David Mobley
  • [gmx-users] rephrase my question about torsional restraints   David
    • [gmx-users] rephrase my question about torsional restraints   David Mobley
      • [gmx-users] rephrase my question about torsional restraints   David
      • [gmx-users] rephrase my question about torsional restraints   David Mobley
      • [gmx-users] rephrase my question about torsional restraints   David
• [gmx-users] (no subject)   M.Naser
  • [gmx-users] (no subject)   David
    • [gmx-users] (no subject)   M.Naser
      • [gmx-users] (no subject)   David
      • [gmx-users] Performance   M.Naser
      • [gmx-users] Performance   Anton Feenstra
      • [gmx-users] Performance   M.Naser
      • [gmx-users] Performance   Anton Feenstra
      • [gmx-users] Performance   David
  • [gmx-users] make_ndx   M.Naser
    • [gmx-users] make_ndx   David
• [gmx-users] a flat plane boundary condition   Beckett W Sterner
  • [gmx-users] a flat plane boundary condition   David
• [gmx-users] Running Gromacs on Solaris 10   Lin Zhen
  • [gmx-users] Running Gromacs on Solaris 10   David
• [gmx-users] Time reversibility and settle   Francesco Mercuri
  • [gmx-users] Time reversibility and settle   Berk Hess
• [gmx-users] g_helix   Prasad Gajula
  • [gmx-users] g_helix   Kai Zhuang
• [gmx-users] Combining two molecules in one simulation   Chris Gaughan
  • [gmx-users] Combining two molecules in one simulation   David
• [gmx-users] Re: a flat plane boundary condition   Beckett W Sterner
  • [gmx-users] Re: a flat plane boundary condition   David
    • [gmx-users] Re: a flat plane boundary condition   Beckett W Sterner
      • [gmx-users] Re: a flat plane boundary condition   David
• [gmx-users] What's the best software to use: cut and past receptor and ligand   Kai Zhuang
  • [gmx-users] What's the best software to use: cut and past receptor and ligand   David
• [gmx-users] zinc fingers   Maximiliano Figueroa
  • [gmx-users] zinc fingers   Maik Goette
• [gmx-users] T-coupling of water and ion   Jian Zou
• [gmx-users] parallel run error   sunita at chem.iitb.ac.in
  • [gmx-users] parallel run error   Sanjay Nilapwar
• [gmx-users] dynamic search and simulated annealing   UCT Staff Member - Jackson
  • [gmx-users] dynamic search and simulated annealing   David van der Spoel
• [gmx-users] dynamic search and simulated annealing   Mu Yuguang (Dr)
• [gmx-users] special case g_rdf   Magnus Andersson
  • [gmx-users] special case g_rdf   David van der Spoel
    • [gmx-users] Re Invalid Directive Dihedrals with H   Farid Sa'Adedin
      • [gmx-users] Re Invalid Directive Dihedrals with H   David van der Spoel
      • [gmx-users] Re Invalid Directive Dihedrals with H   Farid Sa'Adedin
• [gmx-users] Re: gmx-users Digest, Vol 13, Issue 71   Anil Kumar
• [gmx-users] cluster molecules   Santi Esteban Martin
  • [gmx-users] cluster molecules   David van der Spoel
• [gmx-users] PME slows down   Jason de Joannis
  • [gmx-users] PME slows down   David
• [gmx-users] a flat plane boundary condition   Jason de Joannis
• [gmx-users] Temperature   Anthony Cruz
  • [gmx-users] Temperature   David
• [gmx-users] Running Gromacs in parallel with fftw   Lin Zhen
  • [gmx-users] Running Gromacs in parallel with fftw   David
  • [gmx-users] Running Gromacs in parallel with fftw   Peter C. Lai
• [gmx-users] Corrupt trajectories   Amil Anderson
  • [gmx-users] Corrupt trajectories   David
• [gmx-users] Fw: About MPIRUN (Chuanjie Wu) Errors   chuanjiewu at 126.com
  • [gmx-users] Fw: About MPIRUN (Chuanjie Wu) Errors   David
• [gmx-users] make_ndx segmentation error   Jian Zou
  • [gmx-users] make_ndx segmentation error   David
• [gmx-users] Re: corrupt trajectory   Amil Anderson
  • [gmx-users] Re: corrupt trajectory   David
    • [gmx-users] Re: corrupt trajectory   Diego Enry
• [gmx-users] replacement for FFTW   Nathan Moore
  • [gmx-users] replacement for FFTW   David
    • [gmx-users] replacement for FFTW   Nathan Moore
      • [gmx-users] replacement for FFTW   David
• [gmx-users] make_ndx segmentation error   zouj01 at mails.tsinghua.edu.cn
• [gmx-users] T-coupling of water and ion   zouj01 at mails.tsinghua.edu.cn
  • [gmx-users] T-coupling of water and ion   David
• [gmx-users] T-coupling of water and ion   zouj01 at mails.tsinghua.edu.cn
  • [gmx-users] T-coupling of water and ion   Anton Feenstra
• [gmx-users] T-coupling of water and ion   zouj01 at mails.tsinghua.edu.cn
• [gmx-users] How to add user-specific force field parameters in Gromacs?   chuanjiewu at 126.com
  • [gmx-users] How to add user-specific force field parameters in Gromacs?   David
• [gmx-users] Using the double precision gromacs   itai bloch
  • [gmx-users] Using the double precision gromacs   David
  • [gmx-users] Using the double precision gromacs   Anton Feenstra
• [gmx-users] Adding Ca ion!   Prettina Anto_Louis
  • [gmx-users] Adding Ca ion!   Anton Feenstra
• [gmx-users] Re: request for help.   Anton Feenstra
• [gmx-users] multiple data sets in g_analyze   herbst at fhi-berlin.mpg.de
  • [gmx-users] multiple data sets in g_analyze   Berk Hess
    • [gmx-users] multiple data sets in g_analyze   herbst at fhi-berlin.mpg.de
      • [gmx-users] multiple data sets in g_analyze   Berk Hess
      • [gmx-users] System temperature   Arturas
      • [gmx-users] System temperature   David van der Spoel
      • [gmx-users] multiple data sets in g_analyze   herbst at fhi-berlin.mpg.de
• [gmx-users] T-coupling of water and ion   Jian Zou
  • [gmx-users] T-coupling of water and ion   Anton Feenstra
• [gmx-users] are words in top file case-sensitive?   Jian Zou
  • [gmx-users] are words in top file case-sensitive?   David van der Spoel
• [gmx-users] RV: pregunta per la gromacs list   Jordi Camps
  • [gmx-users] RV: pregunta per la gromacs list   David L. Bostick
    • [gmx-users] RV: pregunta per la gromacs list   Berk Hess
• [gmx-users] gmx_rescue   Amil Anderson
• [gmx-users] kindly guide me!   Prettina Anto_Louis
• [gmx-users] Minimisation with and without water !   Prettina Anto_Louis
• [gmx-users] How to apply distance restraints.   Kirti Patel
• [gmx-users] how to compile lesstif and gromacs???   rahul karyappa
• [gmx-users] Running mpi gromacs on solaris 9   itai bloch
• [gmx-users] equilibration & g_rdf   Magnus Andersson
• [gmx-users] System temperature   Moore, Jonathan (J)
• [gmx-users] creating a new non bonded potential   Arijit Maitra
• [gmx-users] Re: gmx-users Digest, Vol 13, Issue 73   Jason de Joannis
  • [gmx-users] Re: gmx-users Digest, Vol 13, Issue 73   David
    • [gmx-users] Installation   Nathan Moore
• [gmx-users] increase the number of atoms in tip5p   Lin Zhen
  • [gmx-users] increase the number of atoms in tip5p   David

Last message date: Tue May 31 23:58:21 CEST 2005
Archived on: Thu Nov 14 12:01:40 CET 2013

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