March 2005 Archives by date

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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] Nanotube simulation Adrain Zhou
[gmx-users] genion Björn Windshügel
[gmx-users] genion T.A.Wassenaar
[gmx-users] Modeling Zinc in OPLS Sandeep Somani
[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] Discriminating between two kind of dimers olivier Walker
[gmx-users] Solvents David van der Spoel
[gmx-users] nucleic acid PDB input files Andrey V. Golovin
[gmx-users] grompp warning - serious or not? Samantha Kaye
[gmx-users] grompp warning - serious or not? Samantha Kaye
[gmx-users] nucleic acid PDB input files Ken Rotondi
[gmx-users] grompp warning - serious or not? David van der Spoel
[gmx-users] Energy Minimization Problems Gaurav Porwal
[gmx-users] AutoDock --> GMX Arturas
[gmx-users] (no subject) anna berteotti
[gmx-users] Lipid Bilayer questions Ramachandra Rao Gullapalli
[gmx-users] Organic Solvents Anthony Cruz
[gmx-users] nucleic acid PDB input files Cameron Mura
[gmx-users] g_sas Dinesh Pinisetty
[gmx-users] a portal for MD Alan Wilter Sousa da Silva
[gmx-users] Adding ion to equilibrated system using genion... Binbin Liu
[gmx-users] DNA-protein Nancy Deng
[gmx-users] extract output files Dinesh Pinisetty
[gmx-users] Adding ion to equilibrated system using genion... David
[gmx-users] a portal for MD David
[gmx-users] extract output files David
[gmx-users] genion Dallas Warren
[gmx-users] Lipid Bilayer questions Dallas Warren
[gmx-users] Organic Solvents Dallas Warren
[gmx-users] g_sas Dallas Warren
[gmx-users] genion Nancy Deng
[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] genion Nancy Deng
[gmx-users] DPPC/DPPE/H2O simulation Sukit Leekumjorn
[gmx-users] mass density Dinesh Pinisetty
[gmx-users] DPPC/DPPE/H2O simulation X.Periole
[gmx-users] Organic Solvents David van der Spoel
[gmx-users] AutoDock --> GMX David van der Spoel
[gmx-users] Energy Minimization Problems David van der Spoel
[gmx-users] mass density David van der Spoel
[gmx-users] nucleic acid PDB input files Maik Goette
[gmx-users] Modeling Zinc in OPLS Maik Goette
[gmx-users] AutoDock --> GMX Arturas
[gmx-users] AutoDock --> GMX David van der Spoel
[gmx-users] AutoDock --> GMX Arturas
[gmx-users] Modeling Zinc in OPLS Sandeep Somani
[gmx-users] AutoDock --> GMX Marc F. Lensink
[gmx-users] Re: gromacs help Anton Feenstra
[gmx-users] AutoDock --> GMX Anton Feenstra
[gmx-users] Modeling Zinc in OPLS David van der Spoel
[gmx-users] Re: Adding ion to equilibrated system using genion... Binbin Liu
[gmx-users] Can I use FEP with OPLS-AA? Alexandre Suman de Araujo
[gmx-users] Re: viewing animation Erik Lindahl
[gmx-users] genion Nancy Deng
[gmx-users] fftw enabled compilation on sgi Pradeep Kota
[gmx-users] fftw enabled compilation on sgi David
[gmx-users] Organic Solvents Anthony Cruz
[gmx-users] Organic Solvents David
[gmx-users] fftw enabled compilation on sgi Haberl Florian
[gmx-users] genion X.Periole
[gmx-users] genion-Cl Nancy Deng
[gmx-users] Re: Adding ion to equilibrated system using genion... Dallas Warren
[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] Modeling Zinc in OPLS Anton Feenstra
[gmx-users] Potentials for Ions Sowmianarayanan Rajamani
[gmx-users] extract output files Anton Feenstra
[gmx-users] a portal for MD Anton Feenstra
[gmx-users] DNA-protein Anton Feenstra
[gmx-users] genion-Cl X.Periole
[gmx-users] Modeling Zinc in OPLS Maik Goette
[gmx-users] Modeling Zinc in OPLS Maik Goette
[gmx-users] Can I use FEP with OPLS-AA? Maik Goette
[gmx-users] calculation of forces during a trajectory Michael
[gmx-users] Gromos g53a6 Andrey V. Golovin
[gmx-users] Gromos g53a6 Alan Wilter Sousa da Silva
[gmx-users] Can entropy be gained via molecular dynamics zjim
[gmx-users] Urea parameterization David van der Spoel
[gmx-users] Urea parameterization Alexander
[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] Problems with surface presure on bilayers and monolayers Hector Mtz-Seara
[gmx-users] genion-Cl Nancy Deng
[gmx-users] system reshaped on itanium II Jens Krüger
[gmx-users] system reshaped on itanium II David van der Spoel
[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] Can entropy be gained via molecular dynamics Ran Friedman
[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] 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] Potentials for Ions Marc Baaden
[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] Problems with surface presure on bilayers and monolayers Hector Mtz-Seara
[gmx-users] Problems with backwards FEP Maik Goette
[gmx-users] Problems with surface presure on bilayers and monolayers paloureiro at biof.ufrj.br
[gmx-users] Help to membranes pressure Absalom Zamorano
[gmx-users] Question concerning license Michael Clark
[gmx-users] Help to membranes pressure Andrey V. Golovin
[gmx-users] Question concerning license David van der Spoel
[gmx-users] Question concerning license lieven at ultr.vub.ac.be
[gmx-users] acetonitrile Anthony Cruz
[gmx-users] acetonitrile David van der Spoel
[gmx-users] NPT: pressure coupling Nancy Deng
[gmx-users] nonbonded LJ-parameters Berk Hess
[gmx-users] NPT: pressure coupling David
[gmx-users] Lie calculation Cesar Lopez
[gmx-users] Lie calculation 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] Rigid molecules in system xzp02 at mails.tsinghua.edu.cn
[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] Rigid molecules in system David van der Spoel
[gmx-users] Fwd: calculation of forces during a trajectory Michael
[gmx-users] Fwd: calculation of forces during a trajectory Berk Hess
[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] Fwd: calculation of forces during a trajectory Michael
[gmx-users] Fwd: calculation of forces during a trajectory David van der Spoel
[gmx-users] Problem with "configure"; Athlon64_fedora Core3 olivier Walker
[gmx-users] Problem with "configure"; Athlon64_fedora Core3 olivier Walker
[gmx-users] Help with a warning Absalom Zamorano
[gmx-users] Problem with "configure"; Athlon64_fedora Core3 david.evans at ulsop.ac.uk
[gmx-users] Help with a warning David van der Spoel
[gmx-users] Problem with "configure"; Athlon64_fedora Core3 Florian Haberl
[gmx-users] DNA/RNA records for OPLS, part II Andrey V. Golovin
[gmx-users] "Segmentation fault" in mdrun Monique Brito
[gmx-users] grompp -debug gives MPI_INIT errors (but seems to run without -debug flag) Sabuj Pattanayek
[gmx-users] A question about DNA and normal mode analysis in gromacs Kristina Nicole Woods
[gmx-users] grompp -debug gives MPI_INIT errors (but seems to run without -debug flag) David
[gmx-users] g_hbond problem Zhenting Gao
[gmx-users] -table option in mdrun Yang Ye
[gmx-users] using tpbconv for continuing parallel jobs Hwankyu Lee
[gmx-users] "Segmentation fault" in mdrun Haberl Florian
[gmx-users] -table option in mdrun David van der Spoel
[gmx-users] g_hbond problem David van der Spoel
[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] Problem with "configure"; Athlon64_fedora Core3 Erik Lindahl
[gmx-users] Problem with "configure"; Athlon64_fedora Core3 olivier Walker
[gmx-users] g_cluster Andrew Beevers
[gmx-users] Organic Solvents Anthony Cruz
[gmx-users] Re: Polarized water model xieyh at hkusua.hku.hk
[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] problem with Mn2+ Maximiliano Figueroa
[gmx-users] Re: Polarized water model David
[gmx-users] mpirun problem David
[gmx-users] problem with Mn2+ David
[gmx-users] problem with Mn2+ Maximiliano Figueroa
[gmx-users] problem with Mn2+ Maik Goette
[gmx-users] Re: problem with Mn2+ Ing. Vojtech Spiwok
[gmx-users] problem with Mn2+ Yang Ye
[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] 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] 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 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] pressure coupling with pbc=full David van der Spoel
[gmx-users] pressure coupling with pbc=full Ester Chiessi
[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 Ignacio Rodriguez Fernandez
[gmx-users] Nanotube simulation David van der Spoel
[gmx-users] Nanotube simulation mprabha at fiu.edu
[gmx-users] Unable to reproduce DPPC benchmark Pietro Lopriore
[gmx-users] Atomtype:CB Nancy Deng
[gmx-users] Atomtype:CB Haberl Florian
[gmx-users] analyzing amber trajectories with gromacs Marie-Pierre Durrieu
[gmx-users] Atomtype:CB Nancy Deng
[gmx-users] Atomtype:CB Haberl Florian
[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] Can't remove libpthreads from the link Paolo Victor
[gmx-users] David, adding new atom types to gromacs "shell model" David
[gmx-users] g_energy: floating point exception Pradeep Nair
[gmx-users] Can't remove libpthreads from the link David
[gmx-users] Re: Extracting energy components Huafeng Xu
[gmx-users] LJ14 interactions on DPPC Sukit Leekumjorn
[gmx-users] how to transform the opls torsional angles parameter to Ryckaert-Bellemans form zjim
[gmx-users] Re: Extracting energy components David van der Spoel
[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] LJ14 interactions on DPPC David L. Bostick
[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 David
[gmx-users] Harmonic potential mn2 at hw.ac.uk
[gmx-users] PME, LIE and charged systems John Simms
[gmx-users] Help converting GROMOS ff files to GROMACS Moore, Jonathan (J)
[gmx-users] PME, LIE and charged systems Ismael
[gmx-users] how to generate coordiantes based on protein or dna sequences Jian Zou
[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] PME, LIE and charged systems David
[gmx-users] Help converting GROMOS ff files to GROMACS David
[gmx-users] how to generate coordiantes based on protein or dna sequences David
[gmx-users] twin-range cut-offs and OPLS Marco Möller
[gmx-users] Re: PME, LIE and charged systems John Simms
[gmx-users] Re: PME, LIE and charged systems David van der Spoel
[gmx-users] twin-range cut-offs and OPLS 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] how to transform the opls torsional angles parameter to Ryckaert-Bellemans form Pawan Babel
[gmx-users] Re: PME, LIE and charged systems John Simms
[gmx-users] The temperature change Gia Maisuradze
[gmx-users] Advise about a good software Absalom Zamorano
[gmx-users] Advise about a good software Nancy Deng
[gmx-users] Re: PME, LIE and charged systems David
[gmx-users] Scaling non-bonded interactions Glenn Johnson
[gmx-users] Tip5p sridhar maddipati
[gmx-users] Scaling non-bonded interactions David van der Spoel
[gmx-users] genistein Michal Kolinski
[gmx-users] genistein Florian Haberl
[gmx-users] g_cluster Andrew Beevers
[gmx-users] Mpi problem Kpiwara De X-nelo
[gmx-users] I Can't create a topology file. Vlad Scepanovsky
[gmx-users] Mpi problem David van der Spoel
[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] g_cluster Nuno R. L. Ferreira
[gmx-users] g_cluster Nuno R. L. Ferreira
[gmx-users] g_cluster Nuno R. L. Ferreira
[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] Re: g_enemat problem Huafeng Xu
[gmx-users] Soft-core parms for FEP David van der Spoel
[gmx-users] Energy minimalization Karel Berka
[gmx-users] how to add a new potential to the system コウチ
[gmx-users] libXm.so.1 Gromacs Help supakar at spymac.com
[gmx-users] libXm.so.1 Gromacs Help supakar at spymac.com
[gmx-users] libXm.so.1 Gromacs Help David van der Spoel
[gmx-users] how to add a new potential to the system David van der Spoel
[gmx-users] Energy minimalization T.A.Wassenaar
[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] Coulomb energies Cesar Lopez
[gmx-users] Version error running mdrun David
[gmx-users] Coulomb energies David
[gmx-users] libXm.so.1 Gromacs Help Sabuj Pattanayek
[gmx-users] Diffusion coefficient Dinesh Pinisetty
[gmx-users] Diffusion coefficient David van der Spoel
[gmx-users] Energy minimalization Michael
[gmx-users] Bilayer + Peptide simulation. itai bloch
[gmx-users] Addition of Energy Term Gaurav Porwal
[gmx-users] Version error running mdrun Jordi Camps
[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] Coulomb energies Cesar Lopez
[gmx-users] Coulomb energies Cesar Lopez
[gmx-users] Version error running mdrun David van der Spoel
[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] genbox nmol add water martin sippel
[gmx-users] Bilayer + Peptide simulation T.A.Wassenaar
[gmx-users] (no subject) masi at nmr.mpibpc.mpg.de
[gmx-users] genbox adding water martin sippel
[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] ions in PDB Alan Wilter Sousa da Silva
[gmx-users] Freeze Velocity? pappaj2 at rpi.edu
[gmx-users] ions in PDB Avell Diroll
[gmx-users] Freeze Velocity? Erik Lindahl
[gmx-users] (no subject) balamurugan r
[gmx-users] D value Dinesh Pinisetty
[gmx-users] Diffusion Coeffecient McMullen, Roger L
[gmx-users] Diffusion Coeffecient Nuno R. L. Ferreira
[gmx-users] ion dragging Magnus Andersson
[gmx-users] genbox nmol add water Dallas Warren
[gmx-users] D value Dallas Warren
[gmx-users] (no subject) T.A.Wassenaar
[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] terminate sugars Andrey V. Golovin
[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] ions in PDB Maik Goette
[gmx-users] assembly loop and the C code justkewlguy at yahoo.com
[gmx-users] pull code and constrain distance--help-please John Simms
[gmx-users] cpp and m4 Alan Wilter Sousa da Silva
[gmx-users] cpp and m4 David
[gmx-users] terminate sugars Glenn Johnson
[gmx-users] pull code and constrain distance--help-please Berk Hess
[gmx-users] assembly loop and the C code Erik Lindahl
[gmx-users] cpp and m4 Erik Lindahl
[gmx-users] (no subject) mn2 at hw.ac.uk
[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] 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] 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] 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] protein wandering away Nancy Deng
[gmx-users] Re: pull code and constrain distance--help-please John Simms
[gmx-users] protein wandering away David
[gmx-users] Unknown argument: spc216.gro Fatal error: Program genbox halted David
[gmx-users] Umbrella samling mn2 at hw.ac.uk
[gmx-users] protein wandering away Dallas Warren
[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] protein wandering away AND binding free energy Nancy Deng
[gmx-users] protein wandering away AND binding free energy David
[gmx-users] g_anaeig narender maan
[gmx-users] Explicitly defined nonbonded LJ pair terms? Michael Shirts
[gmx-users] gmxdump to check the position restraints Jian Zou
[gmx-users] g_anaeig T.A.Wassenaar
[gmx-users] Explicitly defined nonbonded LJ pair terms? David
[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] bam.gct paloureiro at biof.ufrj.br
[gmx-users] Implicit solvent Samuel Flores
[gmx-users] bam.gct David
[gmx-users] Coulomb energies Cesar Lopez
[gmx-users] [ nonbonded_params ] and opls-aa Paul Rowntree
[gmx-users] regarding particle movements Maillist
[gmx-users] regarding particle movements 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] Special atom distance matrix Dana Dogaru
[gmx-users] Harmonic potential David van der Spoel
[gmx-users] Special atom distance matrix 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] 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] Pull-Code: Harmonic potential David
[gmx-users] Pull-Code: Harmonic potential mn2 at hw.ac.uk
[gmx-users] still that install problem louyucun at seas.upenn.edu
[gmx-users] Fw: error: interrupt SIGSEGV Kolin
[gmx-users] still that install problem David van der Spoel
[gmx-users] Fw: error: interrupt SIGSEGV David van der Spoel
[gmx-users] Can I compare the force of pulling process? Jinzhi Tan
[gmx-users] [ nonbonded_params ] and opls-aa Berk Hess
[gmx-users] volume of active site Nuno R. L. Ferreira
[gmx-users] volume of active site Nuno R. L. Ferreira
[gmx-users] volume of active site Marc F. Lensink
[gmx-users] Fw: error: interrupt SIGSEGV Kolin
[gmx-users] Fw: error: interrupt SIGSEGV David van der Spoel
[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] Re: Active Site Wei Fu
[gmx-users] Re: Active Site Wei Fu
[gmx-users] Re: Active Site Nancy Deng
[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 David van der Spoel
[gmx-users] install fftw 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] Re: Active Site Nuno R. L. Ferreira
[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] Free Energy / MM-PBSA masi at nmr.mpibpc.mpg.de
[gmx-users] install gromacs on ia64 system Erik Lindahl
[gmx-users] nb exclusion and pbc Uwe Richter
[gmx-users] PME/Ewald Jason de Joannis
[gmx-users] PME/Ewald mn2 at hw.ac.uk
[gmx-users] PME vs Cut off Hector Mtz-Seara
[gmx-users] popc Dinesh Pinisetty
[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] Basic question mn2 at hw.ac.uk
[gmx-users] install gromacs on AIX system m-hatake at jaist.ac.jp
[gmx-users] Re: Asking for help about Gromacs Anton Feenstra
[gmx-users] mpirun problem Anton Feenstra
[gmx-users] volume of active site Anton Feenstra
[gmx-users] Special atom distance matrix Anton Feenstra
[gmx-users] Basic question David van der Spoel
[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] Z-density profile mn2 at hw.ac.uk
[gmx-users] forcefield to handle phosphorylated residues (ffG43a1p) Una Bjarnadottir
[gmx-users] Z-density profile David van der Spoel
[gmx-users] Z-density profile mn2 at hw.ac.uk
[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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