October 2006 Archives by thread

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Starting: Sun Oct 1 02:41:24 CEST 2006
Ending: Tue Oct 31 21:21:57 CET 2006
Messages: 424

• [gmx-users] x2top doesn't seem to recognize connectivity in the n2t file   Arthur Roberts
  • [gmx-users] x2top doesn't seem to recognize connectivity in the n2t file   David van der Spoel
    • [gmx-users] x2top doesn't seem to recognize connectivity in the n2t file   Arthur Roberts
• [gmx-users] GROMACS Parallel Runs   Sunny
  • [gmx-users] GROMACS Parallel Runs   David van der Spoel
    • [gmx-users] GROMACS Parallel Runs   Sunny
      • [gmx-users] GROMACS Parallel Runs   Carsten Kutzner
      • [gmx-users] GROMACS Parallel Runs   Sunny
      • [gmx-users] GROMACS Parallel Runs   David van der Spoel
      • [gmx-users] GROMACS Parallel Runs   Sunny
      • [gmx-users] GROMACS Parallel Runs   David van der Spoel
      • [gmx-users] GROMACS Parallel Runs   Sunny
      • [gmx-users] GROMACS Parallel Runs   David van der Spoel
      • [gmx-users] GROMACS Parallel Runs   Sunny
      • [gmx-users] GROMACS Parallel Runs   Dallas B. Warren
      • [gmx-users] GROMACS Parallel Runs   Sunny
      • [gmx-users] GROMACS Parallel Runs   David van der Spoel
      • [gmx-users] GROMACS Parallel Runs   Sunny
      • [gmx-users] GROMACS Parallel Runs   David van der Spoel
      • [gmx-users] GROMACS Parallel Runs   David van der Spoel
  • [gmx-users] GROMACS Parallel Runs   Mark Abraham
• [gmx-users] pressure scaling more than 1%   james zhang
  • [gmx-users] pressure scaling more than 1%   David van der Spoel
    • [gmx-users] pressure scaling more than 1%   james zhang
  • [gmx-users] pressure scaling more than 1%   Mark Abraham
• [gmx-users] Re: Minimization   Gia Maisuradze
• [gmx-users] HBond frequency   liu xin
• [gmx-users] Analysis for the big systems containing more than 100, 000 atoms   이 선주
  • [gmx-users] Analysis for the big systems containing more than 100, 000 atoms   David van der Spoel
• [gmx-users] about pulling Na+ and CL- in vaccum   Wang Ling
  • [gmx-users] about pulling Na+ and CL- in vaccum   David van der Spoel
• [gmx-users] A simple question about reaction-field   Alexandre Suman de Araujo
  • [gmx-users] A simple question about reaction-field   David van der Spoel
    • [gmx-users] A simple question about reaction-field   Alexandre Suman de Araujo
• [gmx-users] force field optimization   Дмитрий Зленко
  • [gmx-users] force field optimization   Andrea C. Vaiana
• [gmx-users] Forcefield parameters for Cobalt in gromacs-3.3.1?   Narayanan V
• [gmx-users] grompp problems   Ken Rotondi
  • [gmx-users] grompp problems   Mark Abraham
• [gmx-users] cgnr order   Stephanie Bluebear
  • [gmx-users] cgnr order   Mark Abraham
  • [gmx-users] cgnr order   David van der Spoel
• [gmx-users] Is there any way to put dummy atoms into the n2t file of the CVS version of Gromacs?   Arthur Roberts
  • [gmx-users] Is there any way to put dummy atoms into the n2t file of the CVS version of Gromacs?   David van der Spoel
    • [gmx-users] Is there any way to put dummy atoms into the n2t file of the CVS version of Gromacs?   Arthur Roberts
• [gmx-users] g_potential   mahbubeh zarrabi
  • [gmx-users] g_potential   Mark Abraham
• [gmx-users] pointer errors when compiling parallel mdrun with intel compiler   Lubos Vrbka
  • [gmx-users] pointer errors when compiling parallel mdrun with intel compiler   David van der Spoel
    • [gmx-users] pointer errors when compiling parallel mdrun with intel compiler   Lubos Vrbka
    • [gmx-users] pointer errors when compiling parallel mdrun with intel compiler   Lubos Vrbka
  • [gmx-users] pointer errors when compiling parallel mdrun with intel compiler   Mark Abraham
    • [gmx-users] pointer errors when compiling parallel mdrun with intel compiler   Lubos Vrbka
• [gmx-users] How to restrain the atom position/distance in one molecule?   mahbubeh zarrabi
• [gmx-users] grompp problems   Moore, Jonathan (J)
  • [gmx-users] grompp problems   Mark Sherman
• [gmx-users] DOPC simulation   Jian Dai
• [gmx-users] DOPC simulation   chris.neale at utoronto.ca
• [gmx-users] grompp problems   Manohar Murthi
• [gmx-users] shake-block problem   Jianhui Tian
  • [gmx-users] shake-block problem   David van der Spoel
• [gmx-users] name of molecules at rtp archives!   Samuel Silva Pita
  • [gmx-users] name of molecules at rtp archives!   Mark Abraham
    • [gmx-users] name of molecules at rtp archives!   Anton Feenstra
• [gmx-users] g_confrms_d options   Arindam Ganguly
  • [gmx-users] g_confrms_d options   David van der Spoel
• [gmx-users] g_confrms_d options   Arindam Ganguly
  • [gmx-users] g_confrms_d options   David van der Spoel
• [gmx-users] Error with mdrun   toma0052 at umn.edu
  • [gmx-users] Error with mdrun   Dallas B. Warren
  • [gmx-users] Error with mdrun   Mark Abraham
• [gmx-users] Range checking error: ci barely out of bounds.   chris.neale at utoronto.ca
• [gmx-users] pca on amber MD output   nadiav at soton.ac.uk
  • [gmx-users] pca on amber MD output   Florian Haberl
    • [gmx-users] pca on amber MD output   nadiav at soton.ac.uk
  • [gmx-users] pca on amber MD output   Mark Abraham
    • [gmx-users] pca on amber MD output   nadiav at soton.ac.uk
      • [gmx-users] pca on amber MD output   Tsjerk Wassenaar
      • [gmx-users] pca on amber MD output   nadiav at soton.ac.uk
• [gmx-users] g_confrms_d options   Arindam Ganguly
• [gmx-users] External Forces   toma0052
  • [gmx-users] External Forces   David van der Spoel
• [gmx-users] creating topology files   Owen, Michael
  • [gmx-users] creating topology files   Mark Abraham
    • [gmx-users] creating topology files   Anton Feenstra
      • [gmx-users] creating topology files   Mark Abraham
• [gmx-users] RE: shake block problem   Jianhui Tian
  • [gmx-users] RE: shake block problem   David van der Spoel
• [gmx-users] g_rms, least square fit   kanin wichapong
  • [gmx-users] g_rms, least square fit   Mark Abraham
• [gmx-users] topology format appears wrong   Gavin Seddon
• [gmx-users] GROMACS TOPOLOGY   Gavin Seddon
• [gmx-users] demo   David van der Spoel
  • [gmx-users] demo   anirban
• [gmx-users] Unable to run The Gromacs Demo on Linux PC   sharada
  • [gmx-users] Unable to run The Gromacs Demo on Linux PC   David van der Spoel
• [gmx-users] enable thread onversion 3.3.1   Joern Lenz
  • [gmx-users] enable thread onversion 3.3.1   David van der Spoel
• [gmx-users] p_4 error   toma0052
  • [gmx-users] p_4 error   David van der Spoel
• [gmx-users] qm_mopac.c problems in building of 3.3.1   Jake Michaelson
  • [gmx-users] qm_mopac.c problems in building of 3.3.1   Gerrit Groenhof
    • [gmx-users] qm_mopac.c problems in building of 3.3.1   Jake Michaelson
      • [gmx-users] CVS support for threads [was: qm_mopac.c problems in building of 3.3.1]   Anton Feenstra
      • [gmx-users] CVS support for threads [was: qm_mopac.c problems in building of 3.3.1]   Erik Lindahl
• [gmx-users] carbon nanotube   孙 文明
• [gmx-users] about pulling   zzhwise1
• [gmx-users] Glibc error in Make_edi module   Guo Zhi
• [gmx-users] ffscan trouble   Zlenko Dmitry
  • [gmx-users] ffscan trouble   David van der Spoel
• Re[2]: [gmx-users] ffscan trouble   Zlenko Dmitry
  • [gmx-users] ffscan trouble   David van der Spoel
• [gmx-users] PCA average structure   nadiav at soton.ac.uk
  • [gmx-users] PCA average structure   David van der Spoel
    • [gmx-users] PCA average structure   nadiav at soton.ac.uk
    • [gmx-users] Sulfonate angles   Robert d'Rozario
• [gmx-users] no coordinates in .top file   Owen, Michael
  • [gmx-users] no coordinates in .top file   David van der Spoel
• [gmx-users] rtp use   Gavin Seddon
  • [gmx-users] rtp use   Dallas B. Warren
    • [gmx-users] rtp use   Gavin Seddon
      • [gmx-users] g_hbond   merc mertens
      • [gmx-users] g_hbond   Erik Marklund
      • [gmx-users] rtp use   Dallas B. Warren
      • [gmx-users] rtp use   Gavin Seddon
• [gmx-users] Re: gmx-users Digest, Vol 30, Issue 18   "Stefan Schöbel"
  • [gmx-users] Re: gmx-users Digest, Vol 30, Issue 18   Mark Abraham
  • [gmx-users] Re: gmx-users Digest, Vol 30, Issue 18   Miguel Ortiz Lombardia
• [gmx-users] Unable to add ions...   sharada
  • [gmx-users] Unable to add ions...   Tsjerk Wassenaar
    • [gmx-users] Unable to add ions...   sharada
      • [gmx-users] Unable to add ions...   Mark Abraham
      • [gmx-users] Unable to add ions...   sharada
      • [gmx-users] Unable to add ions...   Mark Abraham
• Re: [gmx-users] ffscan trouble   Zlenko Dmitry
  • [gmx-users] ffscan trouble   David van der Spoel
    • [gmx-users] reproduction of PES with ffscan?   Reynier Suardiaz del Rio
      • [gmx-users] reproduction of PES with ffscan?   David van der Spoel
• [gmx-users] nsgrid.c problem   Mahnam
• [gmx-users] RE: no coordinates in .top file   Owen, Michael
  • [gmx-users] RE: no coordinates in .top file   David van der Spoel
• [gmx-users] GENION: Ions inside the protein   Una Bjarnadottir
  • [gmx-users] GENION: Ions inside the protein   Viswanadham Sridhara
    • [gmx-users] GENION: Ions inside the protein   Tsjerk Wassenaar
• [gmx-users] nsgrid.c problem   chris.neale at utoronto.ca
• [gmx-users] RE: no coordinates in .top file   Moore, Jonathan (J)
• [gmx-users] no coordinates in .top file   Owen, Michael
  • [gmx-users] no coordinates in .top file   Tsjerk Wassenaar
    • [gmx-users] no coordinates in .top file   Mark Abraham
• [gmx-users] nsgrid.c problem   Mahnam
  • [gmx-users] Using the CHARMM TIP3P water model in Gromacs   Nicolas SAPAY
    • [gmx-users] Using the CHARMM TIP3P water model in Gromacs   Mark Abraham
      • [gmx-users] Using the CHARMM TIP3P water model in Gromacs   Erik Lindahl
      • [gmx-users] Using the CHARMM TIP3P water model in Gromacs   Yang Ye
• [gmx-users] rerun question   Anthony Cruz Balberdi
• [gmx-users] fftw and gromacs..   Brian O'Brien
• [gmx-users] gromacs and x-grid on mac os x   Brian O'Brien
• [gmx-users] fftw and gromacs..   Brian O'Brien
  • [gmx-users] fftw and gromacs..   Mark Abraham
• [gmx-users] Re: Re: GENION: Ions inside the protein (Viswanadham Sridhara & Tsjerk Wassenaar)   Una Bjarnadottir
  • [gmx-users] Re: Re: GENION: Ions inside the protein (Viswanadham Sridhara & Tsjerk Wassenaar)   Tsjerk Wassenaar
• [gmx-users] Non-biomolecular systems on Gromacs: incorporating a force field   Marin Djendjinovic
  • [gmx-users] Non-biomolecular systems on Gromacs: incorporating a force field   Erik Lindahl
• [gmx-users] mixed solvent minimization   Owen, Michael
• [gmx-users] can i control the solvent box size?   zzhwise1
• [gmx-users] A question about units   slw2 at soton.ac.uk
  • [gmx-users] A question about units   Mark Abraham
    • [gmx-users] A question about units   slw2 at soton.ac.uk
      • [gmx-users] A question about units   Mark Abraham
  • [gmx-users] A question about units   David van der Spoel
• [gmx-users] Free energy in many conformation of molecular   mlyu
  • [gmx-users] Free energy in many conformation of molecular   Mark Abraham
• [gmx-users] calcualting viscosity from NEMD   Qiao Baofu
  • [gmx-users] calcualting viscosity from NEMD   David van der Spoel
• [gmx-users] Using g_energy in a noninteractive mode script   hseara at netscape.net
  • [gmx-users] Using g_energy in a noninteractive mode script   Esther Caballero-Manrique
  • [gmx-users] Using g_energy in a noninteractive mode script   Martin Höfling
  • [gmx-users] Using g_energy in a noninteractive mode script   Jay Mashl
• [gmx-users] dg/dl at lambda = 1   bharat v. adkar
  • [gmx-users] dg/dl at lambda = 1   David Mobley
• [gmx-users] Using g_energy in a noninteractive mode script   Joern Lenz
• [gmx-users] g_sdf now uploaded to website   Dallas B. Warren
  • [gmx-users] g_sdf now uploaded to website   Florian Haberl
    • [gmx-users] g_sdf now uploaded to website   David van der Spoel
• [gmx-users] charged lipids   Alan Dodd
  • [gmx-users] charged lipids   Marc F. Lensink
• [gmx-users] mixed solvent energy minimization   Owen, Michael
  • [gmx-users] mixed solvent energy minimization   David van der Spoel
• [gmx-users] Non-biomolecular systems on Gromacs: incorporating a force field   Marin Djendjinovic
  • [gmx-users] Non-biomolecular systems on Gromacs: incorporating a force field   David van der Spoel
• [gmx-users] change edr file to a new origen time   hseara at netscape.net
  • [gmx-users] change edr file to a new origen time   David van der Spoel
• [gmx-users] Fatal error: Can't determine precision of trn file, quit!   Prettina Anto_Louis
• [gmx-users] Your computational box has shrunk too much!   liu xin
• [gmx-users] Fatal error: Can't determine precision of trn file, quit!   Prettina Anto_Louis
• [gmx-users] g_dist problem   hseara at netscape.net
  • [gmx-users] g_dist problem   hseara at netscape.net
    • [gmx-users] g_dist problem   David van der Spoel
      • [gmx-users] g_dist problem   hseara at netscape.net
      • [gmx-users] g_dist problem   Mark Abraham
• [gmx-users] how to calculate the shear force in gmx   zzhwise1
  • [gmx-users] how to calculate the shear force in gmx   Mark Abraham
• [gmx-users] help - projection values   Lakshmi Padmavathi
• [gmx-users] How to make a cluster whole   chris.neale at utoronto.ca
  • [gmx-users] How to make a cluster whole   Tsjerk Wassenaar
• [gmx-users] Fatal error: Can't determine precision of trn file, quit!   Prettina Anto_Louis
  • [gmx-users] Fatal error: Can't determine precision of trn file, quit!   David van der Spoel
• [gmx-users] how to calculate the shear force(ii)   zzhwise1
  • [gmx-users] how to calculate the shear force(ii)   David van der Spoel
• [gmx-users] Sanity error in cpp while intalling FFTW   sharada
• [gmx-users] questions - ED analysis   Lakshmi Padmavathi
• Fw: [gmx-users] Sanity error in cpp while intalling FFTW   sharada
  • [gmx-users] Sanity error in cpp while intalling FFTW   Erik Lindahl
• [gmx-users] Print out force field contributions in Gromacs   Ugo Cosentino
  • [gmx-users] Print out force field contributions in Gromacs   Mark Abraham
• [gmx-users] Reordering problem AMBER to GROMACS   andrea carotti
• [gmx-users] plot rmsd of single atom / residue   Guenter Fritz
  • [gmx-users] plot rmsd of single atom / residue   Viswanadham Sridhara
    • [gmx-users] plot rmsd of single atom / residue   Guenter Fritz
      • [gmx-users] plot rmsd of single atom / residue   Viswanadham Sridhara
      • [gmx-users] plot rmsd of single atom / residue   Erik Lindahl
  • [gmx-users] plot rmsd of single atom / residue   Mark Abraham
• [gmx-users] what to do if "CU1+" warning appears after grompp?   "Stefan Schöbel"
  • [gmx-users] what to do if "CU1+" warning appears after grompp?   David van der Spoel
    • [gmx-users] what to do if "CU1+" warning appears after grompp?   Tsjerk Wassenaar
• [gmx-users] Not enough ref_t and tau_t values!   Aline Rossi
  • [gmx-users] Not enough ref_t and tau_t values!   Yang Ye
    • [gmx-users] Not enough ref_t and tau_t values!   Tsjerk Wassenaar
• [gmx-users] Error message in output file.   coderrr c
  • [gmx-users] Error message in output file.   Mark Abraham
  • [gmx-users] Error message in output file.   David van der Spoel
• [gmx-users] Large input Files   coderrr c
  • [gmx-users] Large input Files   David van der Spoel
• [gmx-users] PCA multiple outputs from g_anaeig   Sridhar Acharya
  • [gmx-users] PCA multiple outputs from g_anaeig   Mausumi Mazumdar
• [gmx-users] g_hbond error "Your computational box has shrunk too much"   andrea carotti
  • [gmx-users] g_hbond error "Your computational box has shrunk too much"   David van der Spoel
  • [gmx-users] Re: g_hbond error "Your computational box has shrunk too much"   andrea carotti
    • [gmx-users] Re: g_hbond error "Your computational box has shrunk too much"   David van der Spoel
    • [gmx-users] Re: g_hbond error "Your computational box has shrunk too much"   Marie-Pierre Durrieu
• [gmx-users] Re: g_hbond error "Your computational box has shrunk too much"   andrea carotti
  • [gmx-users] Re: g_hbond error "Your computational box has shrunk too much"   David van der Spoel
• [gmx-users] Re: New version of dock.pl (Cesar Araujo)   Jorge Hernandez Fernandez
• [gmx-users] what to do if "CU1+" warning appears after grompp?   "Stefan Schöbel"
• [gmx-users] New version of dock.pl   Cesar Araujo
• [gmx-users] Range checking error: ci barely out of bounds.   chris.neale at utoronto.ca
• [gmx-users] what to do if "CU1+" warning appears after grompp?   "Stefan Schöbel"
• [gmx-users] Reg pdb2gmx   Sivashangari Gnanasambandam
  • [gmx-users] Reg pdb2gmx   Mark Abraham
• [gmx-users] Reg pdb2gmx   Sivashangari Gnanasambandam
  • [gmx-users] Reg pdb2gmx   Dallas B. Warren
• [gmx-users] 1-4 Interactions   toma0052
  • [gmx-users] 1-4 Interactions   Mark Abraham
    • [gmx-users] 1-4 Interactions   Tsjerk Wassenaar
• [gmx-users] FE-calculation at lambda=0   reich at mpikg.mpg.de
• [gmx-users] Solvation Free energy Calculation   Paolo Cerri
  • [gmx-users] Solvation Free energy Calculation   David Mobley
• [gmx-users] warning: assignment makes pointer from integer without a cast   Qiao Baofu
  • [gmx-users] warning: assignment makes pointer from integer without a cast   David van der Spoel
    • [gmx-users] warning: assignment makes pointer from integer without a cast   Qiao Baofu
• [gmx-users] 1-4 Interactions   chris.neale at utoronto.ca
• [gmx-users] cyclic peptides   Giacomo Bastianelli
  • [gmx-users] cyclic peptides   Tsjerk Wassenaar
    • [gmx-users] cyclic peptides   Giacomo Bastianelli
      • [gmx-users] cyclic peptides   Tsjerk Wassenaar
      • [gmx-users] cyclic peptides   Giacomo Bastianelli
      • [gmx-users] cyclic peptides   David van der Spoel
      • [gmx-users] cyclic peptides   Giacomo Bastianelli
      • [gmx-users] cyclic peptides   andrea spitaleri
      • [gmx-users] cyclic peptides   Giacomo Bastianelli
      • [gmx-users] cyclic peptides   Dallas B. Warren
• [gmx-users] Possible bug with -rerun option   Alexandre Suman de Araujo
  • [gmx-users] Possible bug with -rerun option   David van der Spoel
    • [gmx-users] Possible bug with -rerun option   Alexandre Suman de Araujo
• [gmx-users] angular pull code   Soren Enemark
  • [gmx-users] angular pull code   David Mobley
• [gmx-users] Re: New version of dock.pl   Cesar Araujo
• [gmx-users] system net charge 0f -1.6   "Stefan Schöbel"
  • [gmx-users] system net charge 0f -1.6   Mark Abraham
• [gmx-users] system net charge 0f -1.6   chris.neale at utoronto.ca
• [gmx-users] system net charge 0f -1.6   "Stefan Schöbel"
  • [gmx-users] system net charge 0f -1.6   Viswanadham Sridhara
  • [gmx-users] system net charge 0f -1.6   Mark Abraham
  • [gmx-users] system net charge 0f -1.6   Florian Haberl
    • [gmx-users] system net charge 0f -1.6   Tsjerk Wassenaar
      • [gmx-users] system net charge 0f -1.6   David van der Spoel
• [gmx-users] Protein-Ligand Interactions   Mitchell J Stanton-Cook
  • [gmx-users] Protein-Ligand Interactions   Tsjerk Wassenaar
• [gmx-users] help Gromacs futil.c error   Diego Enry
  • [gmx-users] help Gromacs futil.c error   David van der Spoel
    • [gmx-users] help Gromacs futil.c error   Diego Enry
• [gmx-users] 1-4 Interactions   toma0052
  • [gmx-users] 1-4 Interactions   Mark Abraham
• [gmx-users] gromacs instillation   graham jackson
  • [gmx-users] gromacs instillation   Mark Abraham
  • [gmx-users] gromacs instillation   Florian Haberl
• [gmx-users] ionic charge   Giacomo Bastianelli
  • [gmx-users] ionic charge   Mark Abraham
• [gmx-users] Nanotube and DNA interaction   yuzu0501 at sohu.com
  • [gmx-users] Nanotube and DNA interaction   David van der Spoel
• [gmx-users] wrong optimization result!!!   zzhwise1
  • [gmx-users] wrong optimization result!!!   David van der Spoel
• [gmx-users] spc.itp spc216.top   Michal Walczak
  • [gmx-users] spc.itp spc216.top   Dallas B. Warren
• [gmx-users] reconfoguring a .tpr file to run on different number of nodes   Nayden Markatchev
  • [gmx-users] reconfoguring a .tpr file to run on different number of nodes   Mark Abraham
• [gmx-users] Ambconv package   Stéphane Téletchéa
• [gmx-users] strange new H-H bond formation during MD   Qiao Baofu
  • [gmx-users] strange new H-H bond formation during MD   Mark Abraham
    • [gmx-users] strange new H-H bond formation during MD   Qiao Baofu
      • [gmx-users] strange new H-H bond formation during MD   Stéphane Téletchéa
      • [gmx-users] strange new H-H bond formation during MD   Mark Abraham
      • [gmx-users] strange new H-H bond formation during MD   Ignacio Fernández Galván
      • [gmx-users] strange new H-H bond formation during MD   Qiao Baofu
      • [gmx-users] strange new H-H bond formation during MD   Mark Abraham
      • [gmx-users] strange new H-H bond formation during MD   Erik Marklund
      • [gmx-users] strange new H-H bond formation during MD   Qiao Baofu
      • [gmx-users] strange new H-H bond formation during MD   Mark Abraham
      • [gmx-users] strange new H-H bond formation during MD   Tsjerk Wassenaar
      • [gmx-users] strange new H-H bond formation during MD   Qiao Baofu
      • [gmx-users] strange new H-H bond formation during MD   Erik Marklund
      • [gmx-users] strange new H-H bond formation during MD   Mark Abraham
      • [gmx-users] strange new H-H bond formation during MD   Qiao Baofu
• [gmx-users] How to construct topology for a Manganese-containing system?   Hu Zhongqiao
• [gmx-users] RMS each amino acid   Giacomo Bastianelli
  • [gmx-users] RMS each amino acid   Mark Abraham
• [gmx-users] DNA distortion using oplsaa ff and grompp DNA   Joern Lenz
  • [gmx-users] DNA distortion using oplsaa ff and grompp DNA   David van der Spoel
• [gmx-users] energygrp_excl and PME   Abil Aliev
  • [gmx-users] energygrp_excl and PME   David van der Spoel
    • [gmx-users] energygrp_excl and PME   Abil Aliev
• [gmx-users] grompp   Michal Walczak
  • [gmx-users] grompp   Mark Abraham
    • [gmx-users] grompp   Michal Walczak
      • [gmx-users] grompp   David van der Spoel
      • [gmx-users] grompp   Mark Abraham
• [gmx-users] cyclic peptide dynamics. peptidic bond   Giacomo Bastianelli
  • [gmx-users] cyclic peptide dynamics. peptidic bond   Tsjerk Wassenaar
    • [gmx-users] cyclic peptide dynamics. peptidic bond   Giacomo Bastianelli
      • [gmx-users] cyclic peptide dynamics. peptidic bond   David van der Spoel
      • [gmx-users] cyclic peptide dynamics. peptidic bond   Mark Abraham
• [gmx-users] DNA distortion using oplsaa ff and grompp DNA   Joern Lenz
  • [gmx-users] DNA distortion using oplsaa ff and grompp DNA   David van der Spoel
  • [gmx-users] DNA distortion using oplsaa ff and grompp DNA   Hugo Verli
• [gmx-users] polarizable water?   Victor Manuel Rosas-Garcia
  • [gmx-users] polarizable water?   Erik Marklund
  • [gmx-users] polarizable water?   David van der Spoel
• [gmx-users] changing form of nonbonded force fields   Andre Ghizoni
  • [gmx-users] changing form of nonbonded force fields   Mark Abraham
    • [gmx-users] changing form of nonbonded force fields   David van der Spoel
• [gmx-users] water-vacuum-water simulation   luisa pugliese
  • [gmx-users] water-vacuum-water simulation   Mark Abraham
  • [gmx-users] water-vacuum-water simulation   David van der Spoel
    • [gmx-users] water-vacuum-water simulation   luisa pugliese
      • [gmx-users] water-vacuum-water simulation   David van der Spoel
• [gmx-users] Calculation of Electrostatic Potential at a Nanotube   Bob Johnson
• [gmx-users] do the non-bong ennergy influence the opt imization?   zzhwise1
  • [gmx-users] do the non-bong ennergy influence the opt imization?   David van der Spoel
• [gmx-users] Re: gromacs tutorial   Tsjerk Wassenaar
• [gmx-users] How to simulate the system with 100 chains?   Hu Zhongqiao
• [gmx-users] Basic question.   Viswanadham Sridhara
• [gmx-users] membrane protein simulation   Diane Fournier
  • [gmx-users] membrane protein simulation   Arneh Babakhani
• [gmx-users] question on energies   Viswanadham Sridhara
  • [gmx-users] question on energies   Mark Abraham
• [gmx-users] membrane protein simulation   chris.neale at utoronto.ca
• [gmx-users] Stochastic Boundary MD using GROMACS?   Komath Damodaran
  • [gmx-users] Stochastic Boundary MD using GROMACS?   David van der Spoel
• [gmx-users] yet another question on pressure fluctuations   Daniel Cheong
  • [gmx-users] yet another question on pressure fluctuations   David van der Spoel
• [gmx-users] mdrun on several clusternodes using PME gromacs 3.3.1   Joern Lenz
  • [gmx-users] mdrun on several clusternodes using PME gromacs 3.3.1   Lars Schaefer
• [gmx-users] Sulfonate angles   Lars Schaefer
  • [gmx-users] Sulfonate angles   Robert d'Rozario
• [gmx-users] additional peptide bond: cyclic peptides   Giacomo Bastianelli
  • [gmx-users] additional peptide bond: cyclic peptides   andrea spitaleri
• [gmx-users] Hello Everybody   lijo skb
• Fwd: [gmx-users] mdrun on several clusternodes using PME gromacs 3.3.1   Joern Lenz
  • Fwd: [gmx-users] mdrun on several clusternodes using PME gromacs 3.3.1   Carsten Kutzner
• [gmx-users] genbox   Tamas Horvath
  • [gmx-users] genbox   Mark Abraham
    • [gmx-users] genbox   Tamas Horvath
      • [gmx-users] genbox   David van der Spoel
• [gmx-users] POL5/TZ polarizable water model .itp file   Cherry Y. Yates
  • [gmx-users] POL5/TZ polarizable water model .itp file   David van der Spoel
• [gmx-users] L-BFGS energy minimization wrong!   zzhwise1
  • [gmx-users] L-BFGS energy minimization wrong!   Stéphane Téletchéa
• [gmx-users] Gromacs Basics   lijo skb
  • [gmx-users] Gromacs Basics   Mark Abraham
• [gmx-users] Re: gmx-users Digest, Vol 30, Issue 65   Mauricio Sica
• [gmx-users] Re: basic question (about energy)   Mauricio Sica
• [gmx-users] Re: Basic question. (Viswanadham Sridhara)   Mauricio Sica
• [gmx-users] reg installation   latha mahi
  • [gmx-users] reg installation   David van der Spoel
    • [gmx-users] reg installation   David Berner
      • [gmx-users] reg installation   David van der Spoel
    • [gmx-users] reg installation   latha mahi
      • [gmx-users] reg installation   Mark Abraham
• [gmx-users] g_potential: better precision   이 선주
  • [gmx-users] g_potential: better precision   David van der Spoel
• [gmx-users] question about calculation electrical conductivity with green-kubo relation   Qiao Baofu
• [gmx-users] cyclic peptide: adding constraints   Giacomo Bastianelli
  • [gmx-users] cyclic peptide: adding constraints   Mark Abraham
    • [gmx-users] cyclic peptide: adding constraints   Giacomo Bastianelli
      • [gmx-users] cyclic peptide: adding constraints   Mark Abraham
      • [gmx-users] cyclic peptide: adding constraints   Tsjerk Wassenaar
• [gmx-users] How to add buck.ham potential to a pair of specified non-bonded atoms.   Yongqiang Wang
  • [gmx-users] How to add buck.ham potential to a pair of specified non-bonded atoms.   David van der Spoel
• [gmx-users] X ray deconvolution of membranes   chris.neale at utoronto.ca
• [gmx-users] free energies with tabulated potentials or PME   Michael Brunsteiner
  • [gmx-users] free energies with tabulated potentials or PME   Mark Abraham
  • [gmx-users] free energies with tabulated potentials or PME   Berk Hess
• [gmx-users] Extent of data transfer between nodes   Itamar Kass
  • [gmx-users] Extent of data transfer between nodes   Berk Hess
• [gmx-users] indexing atoms   toma0052
  • [gmx-users] indexing atoms   Erik Marklund
• [gmx-users] problem in compiling g_velacc again under gromacs   Qiao Baofu
  • [gmx-users] problem in compiling g_velacc again under gromacs   Mark Abraham
    • [gmx-users] problem in compiling g_velacc again under gromacs   Qiao Baofu
      • [gmx-users] problem in compiling g_velacc again under gromacs   Qiao Baofu
• [gmx-users] rdf   Claus Valka
• [gmx-users] potential oxiredution   Elias santos
  • [gmx-users] potential oxiredution   Mark Abraham
• [gmx-users] pulldim vectors in pull code   Mauricio Sica

Last message date: Tue Oct 31 21:21:57 CET 2006
Archived on: Thu Nov 14 12:03:16 CET 2013

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