March 2005 Archives by thread

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Starting: Tue Mar 1 00:42:06 CET 2005
Ending: Thu Mar 31 22:25:14 CEST 2005
Messages: 497

• [gmx-users] extract output files   Dinesh Pinisetty
  • [gmx-users] extract output files   Dallas Warren
• [gmx-users] genion   Nancy Deng
  • [gmx-users] genion   Dallas Warren
    • [gmx-users] genion   T.A.Wassenaar
      • [gmx-users] Modeling Zinc in OPLS   Sandeep Somani
      • [gmx-users] Modeling Zinc in OPLS   Maik Goette
      • [gmx-users] Modeling Zinc in OPLS   Sandeep Somani
      • [gmx-users] Modeling Zinc in OPLS   Anton Feenstra
      • [gmx-users] Modeling Zinc in OPLS   Maik Goette
      • [gmx-users] Modeling Zinc in OPLS   David van der Spoel
      • [gmx-users] Modeling Zinc in OPLS   Maik Goette
      • [gmx-users] genion   Dallas Warren
      • [gmx-users] genion   Nancy Deng
      • [gmx-users] genion   Nancy Deng
      • [gmx-users] genion   X.Periole
      • [gmx-users] genion-Cl   Nancy Deng
      • [gmx-users] genion-Cl   X.Periole
      • [gmx-users] genion-Cl   Nancy Deng
      • [gmx-users] genion   Nancy Deng
  • [gmx-users] genion   Björn Windshügel
• [gmx-users] Nanotube simulation   Adrain Zhou
• [gmx-users] grompp warning - serious or not?   Samantha Kaye
  • [gmx-users] grompp warning - serious or not?   David van der Spoel
    • [gmx-users] grompp warning - serious or not?   Samantha Kaye
    • [gmx-users] grompp warning - serious or not?   Samantha Kaye
      • [gmx-users] grompp warning - serious or not?   David van der Spoel
• [gmx-users] Solvents   Anthony Cruz
  • [gmx-users] Solvents   David van der Spoel
    • [gmx-users] Organic Solvents   Anthony Cruz
      • [gmx-users] Organic Solvents   Dallas Warren
      • [gmx-users] Organic Solvents   David van der Spoel
      • [gmx-users] Organic Solvents   Anthony Cruz
      • [gmx-users] Organic Solvents   David
      • [gmx-users] Organic Solvents   Anthony Cruz
• [gmx-users] Discriminating between two kind of dimers   olivier Walker
• [gmx-users] nucleic acid PDB input files   Andrey V. Golovin
  • [gmx-users] nucleic acid PDB input files   Cameron Mura
• [gmx-users] nucleic acid PDB input files   Ken Rotondi
• [gmx-users] Energy Minimization Problems   Gaurav Porwal
  • [gmx-users] Energy Minimization Problems   David van der Spoel
• [gmx-users] AutoDock --> GMX   Arturas
  • [gmx-users] AutoDock --> GMX   David van der Spoel
    • [gmx-users] AutoDock --> GMX   Arturas
      • [gmx-users] AutoDock --> GMX   David van der Spoel
      • [gmx-users] AutoDock --> GMX   Arturas
      • [gmx-users] AutoDock --> GMX   Marc F. Lensink
    • [gmx-users] AutoDock --> GMX   Anton Feenstra
• [gmx-users] (no subject)   anna berteotti
• [gmx-users] Lipid Bilayer questions   Ramachandra Rao Gullapalli
  • [gmx-users] Lipid Bilayer questions   Dallas Warren
• [gmx-users] g_sas   Dinesh Pinisetty
  • [gmx-users] g_sas   Dallas Warren
• [gmx-users] a portal for MD   Alan Wilter Sousa da Silva
  • [gmx-users] a portal for MD   David
    • [gmx-users] a portal for MD   Anton Feenstra
• [gmx-users] Adding ion to equilibrated system using genion...   Binbin Liu
  • [gmx-users] Adding ion to equilibrated system using genion...   David
• [gmx-users] DNA-protein   Nancy Deng
  • [gmx-users] DNA-protein   Anton Feenstra
• [gmx-users] extract output files   Dinesh Pinisetty
  • [gmx-users] extract output files   David
  • [gmx-users] extract output files   Anton Feenstra
• [gmx-users] g_sas   Dinesh Pinisetty
  • [gmx-users] g_sas   Dallas Warren
• [gmx-users] g_sas   Dinesh Pinisetty
  • [gmx-users] g_sas   Dallas Warren
• [gmx-users] DPPC/DPPE/H2O simulation   Sukit Leekumjorn
  • [gmx-users] DPPC/DPPE/H2O simulation   X.Periole
• [gmx-users] mass density   Dinesh Pinisetty
  • [gmx-users] mass density   David van der Spoel
• [gmx-users] nucleic acid PDB input files   Maik Goette
• [gmx-users] Re: gromacs help   Anton Feenstra
• [gmx-users] Re: Adding ion to equilibrated system using genion...   Binbin Liu
  • [gmx-users] Re: Adding ion to equilibrated system using genion...   Dallas Warren
• [gmx-users] Can I use FEP with OPLS-AA?   Alexandre Suman de Araujo
  • [gmx-users] Can I use FEP with OPLS-AA?   Maik Goette
• [gmx-users] Re: viewing animation   Erik Lindahl
• [gmx-users] fftw enabled compilation on sgi   Pradeep Kota
  • [gmx-users] fftw enabled compilation on sgi   David
  • [gmx-users] fftw enabled compilation on sgi   Haberl Florian
• [gmx-users] Re: Adding ion to equilibrated system using genion...   VISWANADHA SRIDHARA
• [gmx-users] Number of hydrogen bonds formed by water in the solvation shell   Huafeng Xu
• [gmx-users] Potentials for Ions   Sowmianarayanan Rajamani
  • [gmx-users] Potentials for Ions   Marc Baaden
• [gmx-users] calculation of forces during a trajectory   Michael
• [gmx-users] Gromos g53a6   Alan Wilter Sousa da Silva
  • [gmx-users] Gromos g53a6   Andrey V. Golovin
• [gmx-users] Can entropy be gained via molecular dynamics   zjim
  • [gmx-users] Can entropy be gained via molecular dynamics   Ran Friedman
• [gmx-users] Urea parameterization   Alexander
  • [gmx-users] Urea parameterization   David van der Spoel
• [gmx-users] Re: DNA-protein   Michael Brunsteiner
• [gmx-users] system reshaped on itanium II   Jens Krüger
  • [gmx-users] system reshaped on itanium II   David
    • [gmx-users] system reshaped on itanium II   Jens Krüger
      • [gmx-users] system reshaped on itanium II   David van der Spoel
• [gmx-users] Problems with surface presure on bilayers and monolayers   Hector Mtz-Seara
• [gmx-users] Genion error   chandran karunakaran
• [gmx-users] Re:Can entropy be gained via molecular dynamics ?   Ing. Vojtech Spiwok
• [gmx-users] Fatal error of mdrun   Binbin Liu
• [gmx-users] Fatal error in position-restrained MD   Una Bjarnadottir
• [gmx-users] Cant remove libpthreads from the link   Matt McMullen
  • [gmx-users] Cant remove libpthreads from the link   David
• [gmx-users] DNA/RNA records for OPLS force field in GROMACS format.   Marc Kreissler
• [gmx-users] DNA/RNA records for OPLS force field in GROMACS format.   Marc Kreissler
  • [gmx-users] NPT: pressure coupling   Nancy Deng
    • [gmx-users] NPT: pressure coupling   David
      • [gmx-users] NPT: pressure coupling   Nancy Deng
      • [gmx-users] NPT: pressure coupling   David
      • [gmx-users] NPT: pressure coupling   parinald at unsl.edu.ar
• [gmx-users] POPE simulations   Sukit Leekumjorn
• Re: [gmx-users] Re:Can entropy be gained via molecular dynamics ?   zjim
• [gmx-users] nonbonded LJ-parameters   Stephan Dammer
  • [gmx-users] nonbonded LJ-parameters   David van der Spoel
• [gmx-users] problem with adding a carbonate molecule to .rtp file   balamurugan r
  • [gmx-users] problem with adding a carbonate molecule to .rtp file   David van der Spoel
• [gmx-users] genbox molecule insertion   Lubos Vrbka
  • [gmx-users] genbox molecule insertion   David van der Spoel
• [gmx-users] acetonitrile   Anthony Cruz
  • [gmx-users] acetonitrile   David van der Spoel
    • [gmx-users] acetonitrile   Anthony Cruz
      • [gmx-users] acetonitrile   David van der Spoel
• [gmx-users] Problems with surface presure on bilayers and monolayers   Hector Mtz-Seara
  • [gmx-users] Problems with surface presure on bilayers and monolayers   paloureiro at biof.ufrj.br
• [gmx-users] Problems with backwards FEP   Maik Goette
• [gmx-users] Help to membranes pressure   Absalom Zamorano
  • [gmx-users] Help to membranes pressure   Andrey V. Golovin
• [gmx-users] Question concerning license   Michael Clark
  • [gmx-users] Question concerning license   David van der Spoel
  • [gmx-users] Question concerning license   lieven at ultr.vub.ac.be
• [gmx-users] nonbonded LJ-parameters   Berk Hess
• [gmx-users] Lie calculation   Cesar Lopez
  • [gmx-users] Lie calculation   David
• [gmx-users] Rigid molecules in system   xzp02 at mails.tsinghua.edu.cn
  • [gmx-users] Rigid molecules in system   David van der Spoel
• [gmx-users] Re: gmx-users Digest, Vol 11, Issue 19: problem with adding a carbonate molecule to .rtp file   balamurugan r
  • [gmx-users] Help me   raj kumar
• [gmx-users] Fwd: calculation of forces during a trajectory   Michael
  • [gmx-users] Fwd: calculation of forces during a trajectory   Berk Hess
    • [gmx-users] Fwd: calculation of forces during a trajectory   Michael
      • [gmx-users] Fwd: calculation of forces during a trajectory   David van der Spoel
• [gmx-users] Re adding carbonate ion to the topolgy file   balamurugan r
  • [gmx-users] Re adding carbonate ion to the topolgy file   David van der Spoel
• [gmx-users] Problem with "configure"; Athlon64_fedora Core3   olivier Walker
  • [gmx-users] Problem with "configure"; Athlon64_fedora Core3   Florian Haberl
    • [gmx-users] Problem with "configure"; Athlon64_fedora Core3   olivier Walker
      • [gmx-users] Problem with "configure"; Athlon64_fedora Core3   david.evans at ulsop.ac.uk
      • [gmx-users] Problem with "configure"; Athlon64_fedora Core3   Erik Lindahl
      • [gmx-users] Problem with "configure"; Athlon64_fedora Core3   olivier Walker
      • [gmx-users] pressure coupling with pbc=full   Ester Chiessi
      • [gmx-users] pressure coupling with pbc=full   David van der Spoel
    • [gmx-users] DNA/RNA records for OPLS, part II   Andrey V. Golovin
• [gmx-users] Help with a warning   Absalom Zamorano
  • [gmx-users] Help with a warning   David van der Spoel
• [gmx-users] "Segmentation fault" in mdrun   Monique Brito
  • [gmx-users] "Segmentation fault" in mdrun   Haberl Florian
• [gmx-users] grompp -debug gives MPI_INIT errors (but seems to run without -debug flag)   Sabuj Pattanayek
  • [gmx-users] grompp -debug gives MPI_INIT errors (but seems to run without -debug flag)   David
• [gmx-users] A question about DNA and normal mode analysis in gromacs   Kristina Nicole Woods
• [gmx-users] g_hbond problem   Zhenting Gao
  • [gmx-users] g_hbond problem   David van der Spoel
• [gmx-users] -table option in mdrun   Yang Ye
  • [gmx-users] -table option in mdrun   David van der Spoel
• [gmx-users] using tpbconv for continuing parallel jobs   Hwankyu Lee
  • [gmx-users] using tpbconv for continuing parallel jobs   David van der Spoel
• [gmx-users] Polarized water model   xieyh at hkusua.hku.hk
  • [gmx-users] Polarized water model   David van der Spoel
• [gmx-users] g_cluster   Andrew Beevers
• [gmx-users] Re: Polarized water model   xieyh at hkusua.hku.hk
  • [gmx-users] Re: Polarized water model   David
• [gmx-users] Installation and Start-Up   Michael Clark
  • [gmx-users] Installation and Start-Up   Florian Haberl
  • [gmx-users] Installation and Start-Up   Niko
• [gmx-users] mpirun problem   mn2 at hw.ac.uk
  • [gmx-users] mpirun problem   Florian Haberl
    • [gmx-users] mpirun problem   mn2 at hw.ac.uk
      • [gmx-users] mpirun problem   David
      • [gmx-users] mpirun problem   Anton Feenstra
• [gmx-users] problem with Mn2+   Maximiliano Figueroa
  • [gmx-users] problem with Mn2+   David
    • [gmx-users] problem with Mn2+   Maximiliano Figueroa
      • [gmx-users] problem with Mn2+   Maik Goette
      • [gmx-users] problem with Mn2+   Yang Ye
• [gmx-users] Re: problem with Mn2+   Ing. Vojtech Spiwok
  • [gmx-users] Re: problem with Mn2+   David van der Spoel
• [gmx-users] segmentation fault in md simulation   Monique Brito
• [gmx-users] change the protonation state...   Binbin Liu
• [gmx-users] Protonate on N- and C- termini   Binbin Liu
  • [gmx-users] Protonate on N- and C- termini   Erik Lindahl
  • [gmx-users] Protonate on N- and C- termini   Xavier Periole
• [gmx-users] Bug (?) in dgdl.xvg   Maik Goette
  • [gmx-users] Bug (?) in dgdl.xvg   Berk Hess
• [gmx-users] "Make Install" hold-up   Michael Clark
  • [gmx-users] "Make Install" hold-up   Florian Haberl
  • [gmx-users] "Make Install" hold-up   Erik Lindahl
• [gmx-users] Another problem   Michael Clark
  • [gmx-users] Another problem   David
• [gmx-users] known bug? compiling gromacs 3.2.1 with gcc 3.3.5 using -march=athlon-whatever gives strange mdrun results on AMD athlon systems   Sabuj Pattanayek
  • [gmx-users] known bug? compiling gromacs 3.2.1 with gcc 3.3.5 using -march=athlon-whatever gives strange mdrun results on AMD athlon systems   David
• [gmx-users] Can i proceed with this warning?-"System has non-zero charge: 2.000002e+00"   balamurugan r
  • [gmx-users] Can i proceed with this warning?-"System has non-zero charge: 2.000002e+00"   Florian Haberl
• [gmx-users] Re: Polarized water model   xieyh at hkusua.hku.hk
  • [gmx-users] Re: Polarized water model   David van der Spoel
• [gmx-users] g_cluster - Cannot allocate memory   Nuno R. L. Ferreira
• [gmx-users] g_cluster - cannot allocate memory   Nuno R. L. Ferreira
• [gmx-users] Re: Help on gromacs   David van der Spoel
• [gmx-users] water_polarization   xieyh at hkusua.hku.hk
  • [gmx-users] water_polarization   David van der Spoel
• [gmx-users] Extracting energy components   Huafeng Xu
  • [gmx-users] Extracting energy components   Ilya Chorny
• [gmx-users] protein unfolding   Aina Quintilla
  • [gmx-users] protein unfolding   Xavier Periole
• [gmx-users] David, still polarization!   xieyh at hkusua.hku.hk
  • [gmx-users] David, still polarization!   David van der Spoel
• [gmx-users] Re: protein unfolding   Aina Quintilla
  • [gmx-users] Re: protein unfolding   Xavier Periole
• [gmx-users] Nanotube simulation   Ignacio Rodriguez Fernandez
  • [gmx-users] Nanotube simulation   David van der Spoel
• [gmx-users] Nanotube simulation   Ignacio Rodriguez Fernandez
• [gmx-users] Nanotube simulation   mprabha at fiu.edu
  • [gmx-users] Atomtype:CB   Nancy Deng
    • [gmx-users] Atomtype:CB   Haberl Florian
      • [gmx-users] Atomtype:CB   Nancy Deng
      • [gmx-users] Atomtype:CB   Haberl Florian
• [gmx-users] Unable to reproduce DPPC benchmark   Pietro Lopriore
• [gmx-users] analyzing amber trajectories with gromacs   Marie-Pierre Durrieu
• [gmx-users] David, adding new atom types to gromacs "shell model"   xieyh at hkusua.hku.hk
  • [gmx-users] David, adding new atom types to gromacs "shell model"   David
• [gmx-users] David, adding new atom types to gromacs "shell model"   xieyh at hkusua.hku.hk
  • [gmx-users] David, adding new atom types to gromacs "shell model"   David
• [gmx-users] Can't remove libpthreads from the link   Paolo Victor
  • [gmx-users] Can't remove libpthreads from the link   David
• [gmx-users] g_energy: floating point exception   Pradeep Nair
• [gmx-users] Re: Extracting energy components   Huafeng Xu
  • [gmx-users] Re: Extracting energy components   David van der Spoel
• [gmx-users] LJ14 interactions on DPPC   Sukit Leekumjorn
  • [gmx-users] LJ14 interactions on DPPC   David L. Bostick
• [gmx-users] how to transform the opls torsional angles parameter to Ryckaert-Bellemans form   zjim
  • [gmx-users] how to transform the opls torsional angles parameter to Ryckaert-Bellemans form   Pawan Babel
• [gmx-users] Not enough ref_t and tau_t values   balamurugan r
  • [gmx-users] Not enough ref_t and tau_t values   Florian Haberl
• [gmx-users] probelm with mdrun   balamurugan r
  • [gmx-users] probelm with mdrun   Florian Haberl
• [gmx-users] g_sas   parinald at unsl.edu.ar
• [gmx-users] Bio-Image summer school in Paris this year   Marc Baaden
• [gmx-users] No access to Gaussian 03   Michael Clark
• [gmx-users] D-aminoacids in OPLS   Guillem Portella
  • [gmx-users] D-aminoacids in OPLS   Erik Lindahl
• [gmx-users] specbond   chandran karunakaran
  • [gmx-users] specbond   David
• [gmx-users] Re: Extracing energy components   Huafeng Xu
  • [gmx-users] Re: Extracing energy components   David
• [gmx-users] Harmonic potential   mn2 at hw.ac.uk
  • [gmx-users] Harmonic potential   Andrey V Golovin
    • [gmx-users] Harmonic potential   mn2 at hw.ac.uk
    • [gmx-users] (no subject)   mn2 at hw.ac.uk
  • [gmx-users] Harmonic potential   David
• [gmx-users] PME, LIE and charged systems   John Simms
  • [gmx-users] PME, LIE and charged systems   Ismael
  • [gmx-users] PME, LIE and charged systems   David
• [gmx-users] Help converting GROMOS ff files to GROMACS   Moore, Jonathan (J)
  • [gmx-users] Help converting GROMOS ff files to GROMACS   David
• [gmx-users] how to generate coordiantes based on protein or dna sequences   Jian Zou
  • [gmx-users] how to generate coordiantes based on protein or dna sequences   David
• [gmx-users] Compiling CVS code on Alpha error   Yang Ye
• [gmx-users] The temperature change   Gia Maisuradze
  • [gmx-users] The temperature change   David
    • [gmx-users] The temperature change   Gia Maisuradze
• [gmx-users] twin-range cut-offs and OPLS   Marco Möller
  • [gmx-users] twin-range cut-offs and OPLS   David van der Spoel
• [gmx-users] Re: PME, LIE and charged systems   John Simms
  • [gmx-users] Re: PME, LIE and charged systems   David van der Spoel
• [gmx-users] Refolding modeling   egorov
• [gmx-users] Refolding modeling   Ansuman Lahiri
• [gmx-users] Re: Re: +AFs-gmx-users+AF0- twin-range cut-offs and OPLS   Marco Möller
  • [gmx-users] Re: Re: [gmx-users] twin-range cut-offs and OPLS   David van der Spoel
• [gmx-users] Re: PME, LIE and charged systems   John Simms
  • [gmx-users] Re: PME, LIE and charged systems   David
• [gmx-users] Advise about a good software   Absalom Zamorano
  • [gmx-users] Advise about a good software   Nancy Deng
• [gmx-users] Scaling non-bonded interactions   Glenn Johnson
  • [gmx-users] Scaling non-bonded interactions   David van der Spoel
• [gmx-users] Tip5p   sridhar maddipati
• [gmx-users] genistein   Michal Kolinski
  • [gmx-users] genistein   Florian Haberl
• [gmx-users] g_cluster   Andrew Beevers
  • [gmx-users] g_cluster   Nuno R. L. Ferreira
  • [gmx-users] g_cluster   Nuno R. L. Ferreira
    • [gmx-users] g_cluster   Nuno R. L. Ferreira
• [gmx-users] Mpi problem   Kpiwara De X-nelo
  • [gmx-users] Mpi problem   David van der Spoel
• [gmx-users] I Can't create a topology file.   Vlad Scepanovsky
• [gmx-users] Re: protein unfolding, gromacs parametrisation   Aina Quintilla
• [gmx-users] The pdb2gmx conversion   Vlad Scepanovsky
  • [gmx-users] The pdb2gmx conversion   David van der Spoel
    • [gmx-users] Fatal error: number of coordinate file <cm5_b4ion.gro, 28016> does not match   Vlad Scepanovsky
      • [gmx-users] Fatal error: number of coordinate file <cm5_b4ion.gro, 28016> does not match   Florian Haberl
      • [gmx-users] Unknown argument: spc216.gro Fatal error: Program genbox halted   Vlad Scepanovsky
      • [gmx-users] Unknown argument: spc216.gro Fatal error: Program genbox halted   David
• [gmx-users] Problems with a PDB   Absalom Zamorano
  • [gmx-users] Problems with a PDB   Nuno R. L. Ferreira
• [gmx-users] g_enemat problem   Samuel Flores
  • [gmx-users] g_enemat problem   David van der Spoel
• [gmx-users] Soft-core parms for FEP   Binbin Liu
  • [gmx-users] Soft-core parms for FEP   David van der Spoel
• [gmx-users] Re: g_enemat problem   Huafeng Xu
• [gmx-users] Energy minimalization   Karel Berka
  • [gmx-users] Energy minimalization   T.A.Wassenaar
  • [gmx-users] Energy minimalization   Michael
• [gmx-users] how to add a new potential to the system   コウ チ
  • [gmx-users] how to add a new potential to the system   David van der Spoel
• [gmx-users] libXm.so.1 Gromacs Help   supakar at spymac.com
  • [gmx-users] libXm.so.1 Gromacs Help   Sabuj Pattanayek
• [gmx-users] libXm.so.1 Gromacs Help   supakar at spymac.com
  • [gmx-users] libXm.so.1 Gromacs Help   David van der Spoel
• [gmx-users] Fatal error: Residue 'IAE' not found in residue topology database   Vlad Scepanovsky
  • [gmx-users] Fatal error: Residue 'IAE' not found in residue topology database   David van der Spoel
• [gmx-users] [Fwd: Following your advice to look for the database files...]   David van der Spoel
• [gmx-users] Version error running mdrun   Jordi Camps
  • [gmx-users] Version error running mdrun   David
    • [gmx-users] Version error running mdrun   Jordi Camps
      • [gmx-users] Version error running mdrun   David van der Spoel
    • [gmx-users] Version error running mdrun   Jordi Camps
      • [gmx-users] Version error running mdrun   David van der Spoel
      • [gmx-users] Version error running mdrun   Jordi Camps
      • [gmx-users] Version error running mdrun   David van der Spoel
      • [gmx-users] Version error running mdrun   Jordi Camps
      • [gmx-users] Version error running mdrun   David van der Spoel
      • [gmx-users] Version error running mdrun   Jordi Camps
    • [gmx-users] Version error running mdrun   Jordi Camps
• [gmx-users] Coulomb energies   Cesar Lopez
  • [gmx-users] Coulomb energies   David
• [gmx-users] Diffusion coefficient   Dinesh Pinisetty
  • [gmx-users] Diffusion coefficient   David van der Spoel
• [gmx-users] Bilayer + Peptide simulation.   itai bloch
• [gmx-users] Addition of Energy Term   Gaurav Porwal
• [gmx-users] Coulomb energies   Cesar Lopez
• [gmx-users] Coulomb energies   Cesar Lopez
  • [gmx-users] Coulomb energies   David van der Spoel
• [gmx-users] charge during the free energy calculation   Binbin Liu
• [gmx-users] Bilayer + Peptide simulation   itai bloch
  • [gmx-users] Bilayer + Peptide simulation   T.A.Wassenaar
• [gmx-users] genbox nmol add water   martin sippel
  • [gmx-users] genbox nmol add water   Dallas Warren
• [gmx-users] (no subject)   masi at nmr.mpibpc.mpg.de
• [gmx-users] genbox adding water   martin sippel
• [gmx-users] ions in PDB   Alan Wilter Sousa da Silva
  • [gmx-users] ions in PDB   Avell Diroll
  • [gmx-users] ions in PDB   Maik Goette
• [gmx-users] Freeze Velocity?   pappaj2 at rpi.edu
  • [gmx-users] Freeze Velocity?   Erik Lindahl
• [gmx-users] (no subject)   balamurugan r
  • [gmx-users] (no subject)   T.A.Wassenaar
• [gmx-users] D value   Dinesh Pinisetty
  • [gmx-users] D value   Dallas Warren
• [gmx-users] Diffusion Coeffecient   McMullen, Roger L
  • [gmx-users] Diffusion Coeffecient   Nuno R. L. Ferreira
• [gmx-users] ion dragging   Magnus Andersson
• [gmx-users] terminate sugars   Glenn Johnson
  • [gmx-users] terminate sugars   Andrey V. Golovin
    • [gmx-users] terminate sugars   Glenn Johnson
• [gmx-users] D value   Dinesh Pinisetty
  • [gmx-users] D value   Dallas Warren
• [gmx-users] D value   Dinesh Pinisetty
• [gmx-users] Re: genbox nmol add water (Dallas Warren)   Pim Schravendijk
• [gmx-users] Re: +AFs-gmx-users+AF0- libXm.so.1 Gromacs Help   Marco Möller
• [gmx-users] assembly loop and the C code   justkewlguy at yahoo.com
  • [gmx-users] assembly loop and the C code   Erik Lindahl
• [gmx-users] pull code and constrain distance--help-please   John Simms
  • [gmx-users] pull code and constrain distance--help-please   Berk Hess
• [gmx-users] cpp and m4   Alan Wilter Sousa da Silva
  • [gmx-users] cpp and m4   David
  • [gmx-users] cpp and m4   Erik Lindahl
• [gmx-users] grompp -shuffle causes unsettled water error during mpirun C mdrun (but not using -shuffle completes mpirun C mdrun)   Sabuj Pattanayek
• [gmx-users] x2top - wrong mass in .top file   Jon
  • [gmx-users] x2top - wrong mass in .top file   David
• [gmx-users] Please give a warning when configure doesn't find X11-dev   Li Daobing
  • [gmx-users] protein wandering away   Nancy Deng
    • [gmx-users] protein wandering away   David
    • [gmx-users] protein wandering away   Dallas Warren
      • [gmx-users] protein wandering away AND binding free energy   Nancy Deng
      • [gmx-users] protein wandering away AND binding free energy   David
• [gmx-users] pull code and constrain distance--help-please   Berk Hess
• [gmx-users] Re: cpp and m4 (Erik Lindahl)   Alan Wilter Sousa da Silva
• [gmx-users] compilation with PGCC, MPICH-GM on x86_64   Hannes Barsch
• [gmx-users] how to convert CHARMM force constant into Gromos force field?   コウ チ
  • [gmx-users] how to convert CHARMM force constant into Gromos force field?   David van der Spoel
• [gmx-users] Re: +AFs-gmx-users+AF0- Fatal error: number of coordinate file +ADw-cm5+AF8-b4ion.gro, 28016+AD4- does not match   Marco Möller
• [gmx-users] Re: pull code and constrain distance--help-please   John Simms
• [gmx-users] Umbrella samling   mn2 at hw.ac.uk
• [gmx-users] HELP   xiongxuqiong
  • [gmx-users] HELP   David
• [gmx-users] water compressibility under different temperature and pressure   Jian Zou
  • [gmx-users] water compressibility under different temperature and pressure   David van der Spoel
• [gmx-users] water compressibility under different temperature and pressure   Jian Zou
• [gmx-users] Re: gmx-users Digest, Vol 11, Issue 62   Jon
• [gmx-users] Harmonic potential   mn2 at hw.ac.uk
  • [gmx-users] Harmonic potential   mn2 at hw.ac.uk
    • [gmx-users] Harmonic potential   David van der Spoel
      • [gmx-users] Harmonic potential   mn2 at hw.ac.uk
      • [gmx-users] Harmonic potential   David van der Spoel
      • [gmx-users] Harmonic potential   mn2 at hw.ac.uk
      • [gmx-users] Harmonic potential   David van der Spoel
      • [gmx-users] Harmonic potential   mn2 at hw.ac.uk
      • [gmx-users] Harmonic potential   David van der Spoel
      • [gmx-users] Harmonic potential   mn2 at hw.ac.uk
      • [gmx-users] Harmonic potential   David van der Spoel
      • [gmx-users] Harmonic potential   mn2 at hw.ac.uk
      • [gmx-users] Harmonic potential   David
      • [gmx-users] Harmonic potential   mn2 at hw.ac.uk
      • [gmx-users] Pull-Code: Harmonic potential   David
      • [gmx-users] Pull-Code: Harmonic potential   mn2 at hw.ac.uk
      • [gmx-users] PME/Ewald   M.Naser
      • [gmx-users] PME/Ewald   David van der Spoel
      • [gmx-users] PME/Ewald   mn2 at hw.ac.uk
      • [gmx-users] PME vs Cut off   Hector Mtz-Seara
      • [gmx-users] Basic question   mn2 at hw.ac.uk
      • [gmx-users] Basic question   David van der Spoel
      • [gmx-users] Z-density profile   mn2 at hw.ac.uk
      • [gmx-users] Z-density profile   David van der Spoel
      • [gmx-users] Z-density profile   mn2 at hw.ac.uk
• [gmx-users] g_anaeig   narender maan
  • [gmx-users] g_anaeig   T.A.Wassenaar
• [gmx-users] Explicitly defined nonbonded LJ pair terms?   Michael Shirts
  • [gmx-users] Explicitly defined nonbonded LJ pair terms?   David
• [gmx-users] gmxdump to check the position restraints   Jian Zou
  • [gmx-users] gmxdump to check the position restraints   David
• [gmx-users] volume of active site   Wei Fu
  • [gmx-users] Coul-14 + dihedral + torsion   Samuel Flores
    • [gmx-users] Coul-14 + dihedral + torsion   David
      • [gmx-users] Implicit solvent   Samuel Flores
  • [gmx-users] volume of active site   Nuno R. L. Ferreira
    • [gmx-users] volume of active site   Marc F. Lensink
  • [gmx-users] volume of active site   Nuno R. L. Ferreira
    • [gmx-users] volume of active site   Anton Feenstra
• [gmx-users] bam.gct   paloureiro at biof.ufrj.br
  • [gmx-users] bam.gct   David
• [gmx-users] Coulomb energies   Cesar Lopez
• [gmx-users] [ nonbonded_params ] and opls-aa   Paul Rowntree
  • [gmx-users] [ nonbonded_params ] and opls-aa   Berk Hess
• [gmx-users] regarding particle movements   Maillist
  • [gmx-users] regarding particle movements   David van der Spoel
• [gmx-users] Special atom distance matrix   Dana Dogaru
  • [gmx-users] Special atom distance matrix   David van der Spoel
    • [gmx-users] Special atom distance matrix   Anton Feenstra
• [gmx-users] Nucleotide version of United Residue Potential   HYUN-CHUL KIM
  • [gmx-users] Nucleotide version of United Residue Potential   David
• [gmx-users] a install question   louyucun at seas.upenn.edu
  • [gmx-users] a install question   David
• [gmx-users] still that install problem   louyucun at seas.upenn.edu
  • [gmx-users] still that install problem   David van der Spoel
• [gmx-users] Fw: error: interrupt SIGSEGV   Kolin
  • [gmx-users] Fw: error: interrupt SIGSEGV   David van der Spoel
• [gmx-users] Can I compare the force of pulling process?   Jinzhi Tan
• [gmx-users] Fw: error: interrupt SIGSEGV   Kolin
  • [gmx-users] Fw: error: interrupt SIGSEGV   David van der Spoel
• [gmx-users] Re: Active Site   Wei Fu
• [gmx-users] Re: Active Site   Wei Fu
  • [gmx-users] Re: Active Site   Nancy Deng
  • [gmx-users] Re: Active Site   Nuno R. L. Ferreira
• [gmx-users] install fftw on IA64 system   Jian Zou
  • [gmx-users] install fftw on IA64 system   David van der Spoel
• [gmx-users] install gromacs on ia64 system   Jian Zou
  • [gmx-users] install gromacs on ia64 system   David van der Spoel
• [gmx-users] install fftw on IA64 system   Jian Zou
• [gmx-users] install gromacs on ia64 system   Jian Zou
• [gmx-users] install gromacs on ia64 system   Michel Cuendet
  • [gmx-users] install gromacs on ia64 system   Yang Ye
    • [gmx-users] install gromacs on ia64 system   Erik Lindahl
      • [gmx-users] install gromacs on AIX system   m-hatake at jaist.ac.jp
  • [gmx-users] install gromacs on ia64 system   Erik Lindahl
• [gmx-users] Free Energy / MM-PBSA   masi at nmr.mpibpc.mpg.de
• [gmx-users] nb exclusion and pbc   Uwe Richter
  • [gmx-users] nb exclusion and pbc   David van der Spoel
• [gmx-users] PME/Ewald   Jason de Joannis
  • [gmx-users] PME/Ewald   mn2 at hw.ac.uk
• [gmx-users] popc   Dinesh Pinisetty
• [gmx-users] PME/Ewald   Jason de Joannis
  • [gmx-users] PME/Ewald   mn2 at hw.ac.uk
• [gmx-users] Re: Asking for help about Gromacs   Anton Feenstra
• [gmx-users] install fftw & gmx on ia64 system & run parallel mdrun_mpi   Jian Zou
• [gmx-users] Re: install gromacs on ia64 system   Jian Zou
  • [gmx-users] Re: install gromacs on ia64 system   Erik Lindahl
• [gmx-users] Install double precision gromacs on IA64 system   Jian Zou
  • [gmx-users] Install double precision gromacs on IA64 system   David van der Spoel
• [gmx-users] Install double precision gromacs on IA64 system   Jian Zou
  • [gmx-users] Install double precision gromacs on IA64 system   David van der Spoel
• [gmx-users] Install double precision gromacs on IA64 system   Jian Zou
  • [gmx-users] Install double precision gromacs on IA64 system   David van der Spoel
    • [gmx-users] Install double precision gromacs on IA64 system   Erik Lindahl
• [gmx-users] free energy /mm-pbsa   masi at nmr.mpibpc.mpg.de
• [gmx-users] Install double precision gromacs on IA64 system   Jian Zou
• [gmx-users] mm-pbsa in gromacs   masi at nmr.mpibpc.mpg.de
• [gmx-users] forcefield to handle phosphorylated residues (ffG43a1p)   Una Bjarnadottir
• [gmx-users] xtc files   Dinesh Pinisetty
  • [gmx-users] xtc files   David

Last message date: Thu Mar 31 22:25:14 CEST 2005
Archived on: Thu Nov 14 12:01:30 CET 2013

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