March 2007 Archives by author

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Starting: Thu Mar 1 00:01:59 CET 2007
Ending: Sat Mar 31 22:15:58 CEST 2007
Messages: 583

[gmx-users] Carbon Nanotube Simulations George Abadir
[gmx-users] Carbon Nanotube Simulations George Abadir
[gmx-users] Generating carbon nanotubes for GROMACS George Abadir
[gmx-users] Carbon Nanotube Simulations George Abadir
[gmx-users] Carbon Nanotube Simulations George Abadir
[gmx-users] Carbon Nanotube Simulations George Abadir
[gmx-users] Carbon Nanotube Simulations George Abadir
[gmx-users] Carbon Nanotube Simulations George Abadir
[gmx-users] box size changed Mark Abraham
[gmx-users] box size changed Mark Abraham
[gmx-users] degree of freedom Mark Abraham
[gmx-users] problem with trjconv Mark Abraham
[gmx-users] degree of freedom Mark Abraham
[gmx-users] About the evaluation for the free energy of lipid/protein interacion Mark Abraham
[gmx-users] About the evaluation for the free energy of lipid/protein interacion Mark Abraham
[gmx-users] About the evaluation for the free energy of lipid/protein interacion Mark Abraham
[gmx-users] Charges? Mark Abraham
[gmx-users] trjconv and missing chain identifier Mark Abraham
[gmx-users] (no subject) Mark Abraham
[gmx-users] grompp error in peptide-membrane simulations Mark Abraham
[gmx-users] realloc Error ! Mark Abraham
[gmx-users] Re:realloc Error ! Mark Abraham
[gmx-users] Re: Re: trjconv and missing chain identifier Mark Abraham
[gmx-users] Inconsistent shifts using multiple bonds type 6 Mark Abraham
[gmx-users] Frozen atoms and energy group exclusion Mark Abraham
[gmx-users] vacuum right but melt collapse Mark Abraham
[gmx-users] .GRO and .TOP files editing Mark Abraham
[gmx-users] setup problem Mark Abraham
[gmx-users] Fwd: Atom index (1) in settles out of bounds (1-0) Mark Abraham
[gmx-users] genbox give coord file more waters than top file Mark Abraham
[gmx-users] PME, epsilon_rf and dielectric constant calculation Mark Abraham
[gmx-users] PME, epsilon_rf and dielectric constant calculation Mark Abraham
[gmx-users] genbox give coord file more waters than top file Mark Abraham
[gmx-users] about the position-restrained MD. Mark Abraham
[gmx-users] about the position-restrained MD. Mark Abraham
[gmx-users] can gromacs simulate the c60? Mark Abraham
[gmx-users] updated perl script for calculating forces Mark Abraham
[gmx-users] REMD and demux.pl Mark Abraham
[gmx-users] REMD and demux.pl Mark Abraham
[gmx-users] how to add a PTR residue into the gromacs simulations Mark Abraham
[gmx-users] how to add a PTR residue into the gromacs simulations Mark Abraham
[gmx-users] multiple T-Coupling Mark Abraham
[gmx-users] peptide out of box Mark Abraham
[gmx-users] Fwd: Position Restraint time for octanol Mark Abraham
[gmx-users] g_saltbr Mark Abraham
[gmx-users] peptide out of box Mark Abraham
[gmx-users] Simulation in octanol as solvent Mark Abraham
[gmx-users] grompp problem Mark Abraham
[gmx-users] problem regarding "mdrun" and "g_hbond" Mark Abraham
[gmx-users] Simulation in octanol as solvent Mark Abraham
[gmx-users] problem regarding "mdrun" and "g_hbond" Mark Abraham
[gmx-users] problem regarding "mdrun" and "g_hbond" Mark Abraham
[gmx-users] problem regarding "mdrun" and "g_hbond" Mark Abraham
[gmx-users] grompp problem Mark Abraham
[gmx-users] interpretation life time Mark Abraham
[gmx-users] isotropic force constant? Mark Abraham
[gmx-users] Salt concentration! Mark Abraham
[gmx-users] backup files Mark Abraham
[gmx-users] backup files Mark Abraham
[gmx-users] Re:isotropic force constant Mark Abraham
[gmx-users] simulation of a dimer Mark Abraham
[gmx-users] Problem of memory allocation while doing g_cluster Mark Abraham
[gmx-users] How to extend Ryckaert-Bellemans parameters? Mark Abraham
[gmx-users] Restrict Terminal of protein? Mark Abraham
[gmx-users] incomparable results with files produced with gromacs3.2.1 and 3.3.1 Mark Abraham
[gmx-users] incomparable results with files produced with gromacs3.2.1 and 3.3.1 Mark Abraham
[gmx-users] Energy minimization Mark Abraham
[gmx-users] Energy minimization Mark Abraham
[gmx-users] a question about coarse grain simulation method Mark Abraham
[gmx-users] coarse grain topology file Mark Abraham
[gmx-users] Carbon Nanotube Simulations Mark Abraham
[gmx-users] Problems with fftw libraries during gromacs configure Mark Abraham
[gmx-users] gen_vel Mark Abraham
[gmx-users] Converting CHARMM trajectories (.trj) to GROMACS trajectories (.xtc) Mark Abraham
[gmx-users] Fwd: How can I do the simulation of a protein with Tyr (SO3H) Mark Abraham
[gmx-users] 1-4 interaction error Mark Abraham
[gmx-users] [Fwd: Question about CHARMM trj to GROMACS trj] Mark Abraham
[gmx-users] [Fwd: Question about CHARMM trj to GROMACS trj] Mark Abraham
[gmx-users] How to use different potential interaction in gromacs Mark Abraham
[gmx-users] Carbon Nanotube Simulations Mark Abraham
[gmx-users] Fwd: How can I do the simulation of a protein with Tyr (SO3H) Mark Abraham
[gmx-users] my big problem Mark Abraham
[gmx-users] two chains Mark Abraham
[gmx-users] splitting chains Mark Abraham
[gmx-users] Problems in C8 and C9 chains equilibration Jones de Andrade
[gmx-users] Problems in C8 and C9 chains equilibration Jones de Andrade
[gmx-users] using fortran for xtc files Jones de Andrade
[gmx-users] using fortran for xtc files Jones de Andrade
[gmx-users] using fortran for xtc files Jones de Andrade
[gmx-users] Simulation cell rotation and CRYST1/periodic box information Marc Baaden
[gmx-users] g_density : centering the density distribution plot Arneh Babakhani
[gmx-users] Appropriate tool to get the number of solvent molecules within a cutoff distance around protein molecule Anthony Cruz Balberdi
[gmx-users] Protein Dipole moment Qiao Baofu
[gmx-users] positive system total-energy Qiao Baofu
[gmx-users] positive system total-energy Qiao Baofu
[gmx-users] g_rdf Qiao Baofu
[gmx-users] PME, epsilon_rf and dielectric constant calculation Qiao Baofu
[gmx-users] How to calculate angle dependent rdf Qiao Baofu
[gmx-users] coordination number of ion: rdf integration Qiao Baofu
[gmx-users] coordination number of ion: rdf integration Qiao Baofu
[gmx-users] g_rdf normalisation Qiao Baofu
[gmx-users] g_sdf again Qiao Baofu
[gmx-users] freezing/position restraints and minimization Jeroen van Bemmelen
[gmx-users] trjconv and missing chain identifier Una Bjarnadottir
[gmx-users] Re: Re: trjconv and missing chain identifier Una Bjarnadottir
[gmx-users] information on Na Channels in lipid bilayers ? Pär Bjelkmar
[[gmx-users] genion error!] Pär Bjelkmar
[gmx-users] Gromacs 3.3.1 vs SegFault Stas Bobritsky
[gmx-users] problems with nsgrid Gianfranco Bocchinfuso
[gmx-users] Orientation of DMSO Carl Caleman
[gmx-users] Counter ion and PME Carlo Camilloni
[gmx-users] Re: Counter ion and PME Carlo Camilloni
[gmx-users] Problems with fftw libraries during gromacs configure Mario Campo
[gmx-users] Re: bug in ffoplsaanb.itp? Alan Chen
[gmx-users] g_bond -hx Ester Chiessi
[gmx-users] limitations in the umbrella sampling Seungho Choe
[gmx-users] limitations in the umbrella sampling Seungho Choe
[gmx-users] box size changed Nancy Deng
[gmx-users] box size changed Nancy Deng
[gmx-users] box size changed Nancy Deng
[gmx-users] g_saltbr Dimitry.A.Suplatov
[gmx-users] compiling with intel. No -lXm found. DimitryASuplatov
[gmx-users] How to calculate the angle between side chains and helical axis Afonso Duarte
[gmx-users] Appropriate tool to get the number of solvent molecules within a cutoff distance around protein molecule OZGE ENGIN
[gmx-users] g_mindist OZGE ENGIN
[gmx-users] Appropriate tool to get the number of solvent molecules within a cutoff distance around protein molecule OZGE ENGIN
[gmx-users] Appropriate tool to get the number of solvent molecules within a cutoff distance around protein molecule OZGE ENGIN
[gmx-users] (no subject) OZGE ENGIN
[gmx-users] problem with g_rdf OZGE ENGIN
[gmx-users] backup files Diego Enry
[gmx-users] Re: Request Anton Feenstra
[gmx-users] Missing LJ interaction Steve Fiedler
[gmx-users] grompp problem Ran Friedman
[gmx-users] Salt concentration! Ran Friedman
[gmx-users] backup files Ignacio Fernández Galván
[gmx-users] REMD and demux.pl Arindam Ganguly
[gmx-users] REMD and demux.pl Arindam Ganguly
[gmx-users] REMD and demux.pl Arindam Ganguly
[gmx-users] Which force-field for DNA-protein complex ? Maik Goette
[gmx-users] oplsaa with tip4p Maik Goette
[gmx-users] Thiophosphate LJ-Parameters Maik Goette
[gmx-users] force field Ashish Gupta
[gmx-users] using fortran for xtc files Ashish Gupta
[gmx-users] GROMOS vs. Amber Florian Haberl
[gmx-users] free radicals emra Heshmati
[gmx-users] Inconsistent shifts using multiple bonds type 6 Berk Hess
[gmx-users] Inconsistent shifts using multiple bonds type 6 Berk Hess
[gmx-users] limitations in the umbrella sampling Berk Hess
[gmx-users] genbox give coord file more waters than top file Berk Hess
[gmx-users] genbox give coord file more waters than top file Berk Hess
[gmx-users] g_sham -dim ? (fwd) Berk Hess
[gmx-users] g_sham -dim ? (fwd) Berk Hess
[gmx-users] peptide coming out of the box Berk Hess
[gmx-users] peptide coming out of the box Berk Hess
[gmx-users] turn off pdb output Berk Hess
[gmx-users] pbc_dx specific compilation or linking problem Berk Hess
[gmx-users] Re: Frozen atoms and energy group exclusion Janne Hirvi
[gmx-users] Heat transfer in collision Janne Hirvi
[gmx-users] grompp error Martin Höfling
[gmx-users] extract initial structure from tpr Martin Höfling
[gmx-users] Removing PBC from Replica Exchange Trajectory Robert Johnson
[gmx-users] Removing PBC from Replica Exchange Trajectory Robert Johnson
[gmx-users] Removing PBC from Replica Exchange Trajectory Robert Johnson
[gmx-users] Writing Coordinates of Atoms Outside Primary Periodic Box Robert Johnson
[gmx-users] freezing/position restraints and minimization Robert Johnson
[gmx-users] freezing/position restraints and minimization Robert Johnson
[gmx-users] Fatal error when using Hbond restraints Robert Johnson
[gmx-users] Generating carbon nanotubes for GROMACS Robert Johnson
[gmx-users] Carbon Nanotube Simulations Robert Johnson
[gmx-users] Carbon Nanotube Simulations Robert Johnson
[gmx-users] incomparable results with files produced with gromacs3.2.1 and 3.3.1 Sampo Karkola
[gmx-users] incomparable results with files produced with gromacs3.2.1 and 3.3.1 Sampo Karkola
[gmx-users] incomparable results with files produced with gromacs3.2.1 and 3.3.1 Sampo Karkola
[gmx-users] incomparable results with files produced with gromacs3.2.1 and 3.3.1 Sampo Karkola
[gmx-users] incomparable results with files produced with gromacs3.2.1 and 3.3.1 Sampo Karkola
[gmx-users] Energies rising Sampo Karkola
[Fwd: Re: [gmx-users] Energies rising] Sampo Karkola
[gmx-users] Energies rising Sampo Karkola
[gmx-users] genion halted Sampo Karkola
[gmx-users] genion halted Sampo Karkola
[gmx-users] genion halted Sampo Karkola
[gmx-users] Latha has Tagged you! :) Latha Karumanchi
[gmx-users] Gaussian 03 and Gromacs Rahul B Kasat
[gmx-users] PME, epsilon_rf and dielectric constant calculation Itamar Kass
[gmx-users] PME, epsilon_rf and dielectric constant calculation Itamar Kass
[gmx-users] Incorrect dihedral restraints Jonathan Khao
[gmx-users] Incorrect dihedral restraints Jonathan Khao
[gmx-users] Incorrect dihedral restraints Jonathan Khao
[gmx-users] Problem of memory allocation while doing g_cluster Anil Kumar
[gmx-users] Converting CHARMM trajectories (.trj) to GROMACS trajectories (.xtc) Hwankyu Lee
[gmx-users] CVS version Sukit Leekumjorn
[gmx-users] peptide-membrane simulations Justin Lemkul
[gmx-users] how to add a PTR residue into the gromacs simulations Tom Lenaerts
[gmx-users] how to add a PTR residue into the gromacs simulations Tom Lenaerts
[gmx-users] grompp problem Tom Lenaerts
[gmx-users] grompp problem Tom Lenaerts
[gmx-users] grompp problem Tom Lenaerts
[gmx-users] grompp problem Tom Lenaerts
[gmx-users] grompp problem Tom Lenaerts
[gmx-users] how to add a PTR residue into the gromacs simulations Marc F. Lensink
[gmx-users] how to add a PTR residue into the gromacs simulations Marc F. Lensink
[gmx-users] Atom index (1) in settles out of bounds (1-0) Joern Lenz
[gmx-users] Fwd: Atom index (1) in settles out of bounds (1-0) Joern Lenz
[gmx-users] about the position-restrained MD. Liu Lin
[gmx-users] about the position-restrained MD. Liu Lin
[gmx-users] about the pressure Liu Lin
[gmx-users] about the pressure Liu Lin
[gmx-users] master node dilema Erik Lindahl
[gmx-users] Mac OS X with MKL Erik Lindahl
[gmx-users] Re: gmx-users Digest, Vol 35, Issue 11 Erik Lindahl
[gmx-users] compiling with intel. No -lXm found. Erik Lindahl
[gmx-users] CVS version Erik Lindahl
[gmx-users] about the pressure Erik Lindahl
[gmx-users] turn off pdb output Erik Lindahl
[gmx-users] force field Erik Lindahl
[gmx-users] Energy minimization Erik Lindahl
[gmx-users] turn off pdb output Erik Lindahl
[gmx-users] turn off pdb output Erik Lindahl
[gmx-users] Counter ion and PME Erik Lindahl
[gmx-users] bug in ffoplsaanb.itp? Erik Lindahl
[gmx-users] Problems in C8 and C9 chains equilibration Pedro Alexandre de Araújo Gomes Lapido Loureiro
[gmx-users] Problems in C8 and C9 chains equilibration Pedro Alexandre de Araújo Gomes Lapido Loureiro
[gmx-users] backup files Pedro Alexandre de Araújo Gomes Lapido Loureiro
[gmx-users] backup files Pedro Alexandre de Araújo Gomes Lapido Loureiro
[gmx-users] backup files Pedro Alexandre de Araújo Gomes Lapido Loureiro
[gmx-users] incomparable results with files produced with gromacs3.2.1 and 3.3.1 Pedro Alexandre de Araújo Gomes Lapido Loureiro
[gmx-users] fail to start ngmx! Tengfei Luo
[gmx-users] Gaussian 03 and Gromacs Karina Mai
[gmx-users] box size changed Erik Marklund
[gmx-users] Which force-field for DNA-protein complex ? Erik Marklund
[gmx-users] genbox give coord file more waters than top file Erik Marklund
[gmx-users] problem regarding "mdrun" and "g_hbond" Erik Marklund
[gmx-users] Simulation in octanol as solvent Erik Marklund
[gmx-users] problem regarding "mdrun" and "g_hbond" Erik Marklund
[gmx-users] time life Erik Marklund
[gmx-users] Appropriate tool to get the number of solvent molecules within a cutoff distance around protein molecule Erik Marklund
[gmx-users] Simulation cell rotation and CRYST1/periodic box information Erik Marklund
[gmx-users] spliting chains Erik Marklund
[gmx-users] splitting chains Erik Marklund
[gmx-users] splitting chains Erik Marklund
[gmx-users] splitting chains Erik Marklund
[gmx-users] query about making a pdb file Jay Mashl
[gmx-users] query about making a pdb file Jay Mashl
[gmx-users] Topology file for D2O Andrés N. McCarthy
[gmx-users] Restarting a gromacs calcluation Milan Melichercik
[gmx-users] peptide out of box Rakesh Mishra
[gmx-users] peptide out of box Rakesh Mishra
[gmx-users] About the evaluation for the free energy of lipid/protein interacion David Mobley
[gmx-users] Chimera GROMACS support David Mobley
[gmx-users] performance question David Mobley
[gmx-users] freezing/position restraints and minimization David Mobley
[gmx-users] freezing/position restraints and minimization David Mobley
[gmx-users] freezing/position restraints and minimization David Mobley
[gmx-users] freezing/position restraints and minimization David Mobley
[gmx-users] freezing/position restraints and minimization David Mobley
[gmx-users] turn off pdb output David Mobley
[gmx-users] Incorrect dihedral restraints David Mobley
[gmx-users] turn off pdb output David Mobley
[gmx-users] turn off pdb output David Mobley
[gmx-users] turn off pdb output David Mobley
[gmx-users] Counter ion and PME David Mobley
[gmx-users] Topology file for D2O David Mobley
[gmx-users] tabulated nonbonded interactions and free energy calculations David Mobley
[gmx-users] angle-dependent radial distribution function -- documentation problem, or how? David Mobley
[gmx-users] bug in ffoplsaanb.itp? David Mobley
[gmx-users] bug in ffoplsaanb.itp? David Mobley
[gmx-users] query about making a pdb file Jagannath Mondal
[gmx-users] query about making a pdb file Jagannath Mondal
[gmx-users] reaction field kappa and ionic strength Daniela S. Mueller
[gmx-users] beta dihedral potential for nucleic acid backbone missing in force field file Daniela S. Mueller
[gmx-users] pbc_dx specific compilation or linking problem Chris Neale
[gmx-users] POPC membrane simulations Chris Neale
[gmx-users] POPC membrane simulations Chris Neale
[gmx-users] RE: pbc_dx specific compilation or linking problem Chris Neale
[gmx-users] performance question Andrei Neamtu
[gmx-users] virial calculation in the presence of electric field Sanghyun Park
[gmx-users] virial calculation in the presence of electric field Sanghyun Park
[gmx-users] .GRO and .TOP files editing Karthikeyan Pasupathy
[gmx-users] Protein Dipole moment Georgios Patargias
[gmx-users] Protein Dipole moment Georgios Patargias
[gmx-users] Protein Dipole moment Georgios Patargias
[gmx-users] Use of g_dielectric Georgios Patargias
[gmx-users] Use of g_dielectric Georgios Patargias
[gmx-users] g_dipoles and charged molecules Georgios Patargias
[gmx-users] g_sham -dim ? (fwd) Alexandra Patriksson
[gmx-users] peptide out of box Olivier Perin
[gmx-users] grompp problem Olivier Perin
[gmx-users] Re: .GRO and .TOP files editing Luke Pestl
[gmx-users] Inconsistent shifts using multiple bonds type 6 TJ Piggot
[gmx-users] Inconsistent shifts using multiple bonds type 6 TJ Piggot
[gmx-users] Inconsistent shifts using multiple bonds type 6 TJ Piggot
[gmx-users] Inconsistent shifts using multiple bonds type 6 TJ Piggot
[gmx-users] Orientation of DMSO Dinesh Pinisetty
[gmx-users] Orientation of DMSO Dinesh Pinisetty
[gmx-users] coarse grain topology file Shanshan Qin
[gmx-users] coarse grain topology file Shanshan Qin
[gmx-users] degree of freedom Nicolas SAPAY
[gmx-users] degree of freedom Nicolas SAPAY
[gmx-users] degree of freedom Nicolas SAPAY
[gmx-users] How to extend Ryckaert-Bellemans parameters? Nicolas Sapay
[gmx-users] How to extend Ryckaert-Bellemans parameters? Nicolas Sapay
[gmx-users] How to extend Ryckaert-Bellemans parameters? Nicolas Sapay
[gmx-users] oplsaa with tip4p Christian Seifert
[gmx-users] pbc in xy only Wael Soliman
[gmx-users] g_rms v. g_rmsdist Gleb Solomentsev
[gmx-users] Re: .GRO and .TOP files editing Vojtěch Spiwok
[gmx-users] free radicals David van der Spoel
[gmx-users] any help for PPPM? David van der Spoel
[gmx-users] Re: Carbon nanotube force field David van der Spoel
[gmx-users] positive system total-energy David van der Spoel
[gmx-users] Protein Dipole moment David van der Spoel
[gmx-users] gmxcheck and trjconv David van der Spoel
[gmx-users] positive system total-energy David van der Spoel
[gmx-users] gmxcheck and trjconv David van der Spoel
[gmx-users] g_rdf David van der Spoel
[gmx-users] PME, epsilon_rf and dielectric constant calculation David van der Spoel
[gmx-users] g_sham -dim ? (fwd) David van der Spoel
[gmx-users] can gromacs simulate the c60? David van der Spoel
[gmx-users] pbc in xy only David van der Spoel
[gmx-users] extract initial structure from tpr David van der Spoel
[gmx-users] Problems in C8 and C9 chains equilibration David van der Spoel
[gmx-users] totally misunderstood question about genbox David van der Spoel
[gmx-users] Simulation in octanol as solvent David van der Spoel
[gmx-users] virial calculation in the presence of electric field David van der Spoel
[gmx-users] Number of grid cells is zero David van der Spoel
[gmx-users] virial calculation in the presence of electric field David van der Spoel
[gmx-users] Use of g_dielectric David van der Spoel
[gmx-users] Use of g_dielectric David van der Spoel
[gmx-users] grompp problem David van der Spoel
[gmx-users] Restarting a gromacs calcluation David van der Spoel
[gmx-users] problem regarding "mdrun" and "g_hbond" David van der Spoel
[gmx-users] Gromacs 3.3.1 vs SegFault David van der Spoel
[gmx-users] freezing/position restraints and minimization David van der Spoel
[gmx-users] Adding a new force field to Gromacs David van der Spoel
[gmx-users] Fatal error when using Hbond restraints David van der Spoel
[gmx-users] Fatal error when using Hbond restraints David van der Spoel
[gmx-users] CVS version David van der Spoel
[gmx-users] System is exploding David van der Spoel
[gmx-users] How to extend Ryckaert-Bellemans parameters? David van der Spoel
[gmx-users] How to extend Ryckaert-Bellemans parameters? David van der Spoel
[gmx-users] mindist during MD David van der Spoel
[gmx-users] mindist during MD David van der Spoel
[gmx-users] reaction field kappa and ionic strength David van der Spoel
[gmx-users] grompp error with cpp David van der Spoel
[gmx-users] Counter ion and PME David van der Spoel
[gmx-users] using fortran for xtc files David van der Spoel
[gmx-users] using fortran for xtc files David van der Spoel
[gmx-users] using fortran for xtc files David van der Spoel
[gmx-users] Energies rising David van der Spoel
[gmx-users] rdf bug in 3.3.1 depending on the gcc? David van der Spoel
[gmx-users] Energies rising David van der Spoel
[gmx-users] Orientation of DMSO David van der Spoel
[gmx-users] bug in ffoplsaanb.itp? David van der Spoel
[gmx-users] Running GROMACS in PBS David van der Spoel
[gmx-users] information on Na Channels in lipid bilayers ? Viswanadham Sridhara
[gmx-users] Adding a new force field to Gromacs Tandia, Adama
[gmx-users] splitting chains Alpay Temiz
[gmx-users] Charges? Triguero, Luciano O
[gmx-users] Restarting a gromacs calcluation Triguero, Luciano O
[gmx-users] Restarting a gromacs calcluation Triguero, Luciano O
[gmx-users] Restarting a gromacs calcluation Triguero, Luciano O
[gmx-users] Restarting a gromacs calcluation Triguero, Luciano O
[gmx-users] Running GROMACS in PBS Triguero, Luciano O
[gmx-users] DNA Helicoïdal Plots over time Stéphane Téletchéa
[gmx-users] g_mindist and g_mdmat SUSAN VARNUM
[gmx-users] g_mdmat question SUSAN VARNUM
[gmx-users] genbox give coord file more waters than top file WILLIAM R WELCH
[gmx-users] totally misunderstood question about genbox WILLIAM R WELCH
[gmx-users] GROMOS vs. Amber Michal Walczak
[gmx-users] updated perl script for calculating forces Emily Walton
[gmx-users] setup problem Dallas B. Warren
[gmx-users] Number of grid cells is zero!! Dallas B. Warren
[gmx-users] Restarting a gromacs calcluation Dallas B. Warren
[gmx-users] problem with g_rdf Dallas B. Warren
[gmx-users] help with g_sdf Dallas B. Warren
[gmx-users] ion contact: rdf does not tend to 1 Dallas B. Warren
[gmx-users] g_sdf again Dallas B. Warren
[gmx-users] two chains Dallas B. Warren
[gmx-users] box size changed Tsjerk Wassenaar
[gmx-users] box size changed Tsjerk Wassenaar
[gmx-users] (no subject) Tsjerk Wassenaar
[gmx-users] grompp error in peptide-membrane simulations Tsjerk Wassenaar
[gmx-users] grompp error in peptide-membrane simulations Tsjerk Wassenaar
[gmx-users] Re: Re: trjconv and missing chain identifier Tsjerk Wassenaar
[gmx-users] vacuum right but melt collapse Tsjerk Wassenaar
[gmx-users] setup problem Tsjerk Wassenaar
[gmx-users] gmxcheck and trjconv Tsjerk Wassenaar
[gmx-users] vacuum right but melt collapse Tsjerk Wassenaar
[gmx-users] vacuum right but melt collapse Tsjerk Wassenaar
[gmx-users] vacuum right but melt collapse Tsjerk Wassenaar
[gmx-users] peptide out of box Tsjerk Wassenaar
[gmx-users] Problems in C8 and C9 chains equilibration Tsjerk Wassenaar
[gmx-users] Number of grid cells is zero Tsjerk Wassenaar
[gmx-users] Removing PBC from Replica Exchange Trajectory Tsjerk Wassenaar
[gmx-users] peptide-membrane simulations Tsjerk Wassenaar
[gmx-users] peptide-membrane simulations Tsjerk Wassenaar
[gmx-users] why gmx can not minimize the sio2? Tsjerk Wassenaar
[gmx-users] problem regarding "mdrun" and "g_hbond" Tsjerk Wassenaar
[gmx-users] problem regarding "mdrun" and "g_hbond" Tsjerk Wassenaar
[gmx-users] problem regarding "mdrun" and "g_hbond" Tsjerk Wassenaar
[gmx-users] Removing PBC from Replica Exchange Trajectory Tsjerk Wassenaar
[gmx-users] g_rms v. g_rmsdist Tsjerk Wassenaar
[gmx-users] grompp problem Tsjerk Wassenaar
[gmx-users] Writing Coordinates of Atoms Outside Primary Periodic Box Tsjerk Wassenaar
[gmx-users] coordination number of ion: rdf integration Tsjerk Wassenaar
[gmx-users] g_mindist Tsjerk Wassenaar
[gmx-users] Restarting a gromacs calcluation Tsjerk Wassenaar
[gmx-users] problem regarding "mdrun" and "g_hbond" Tsjerk Wassenaar
[gmx-users] Restarting a gromacs calcluation Tsjerk Wassenaar
[gmx-users] peptide coming out of the box Tsjerk Wassenaar
[gmx-users] peptide coming out of the box Tsjerk Wassenaar
[gmx-users] PCoorA and Energies Tsjerk Wassenaar
[gmx-users] about the pressure Tsjerk Wassenaar
[gmx-users] fail to start ngmx! Tsjerk Wassenaar
[gmx-users] about the pressure Tsjerk Wassenaar
[gmx-users] Restrict Terminal of protein? Tsjerk Wassenaar
[gmx-users] Restrict Terminal of protein? Tsjerk Wassenaar
[gmx-users] incomparable results with files produced with gromacs3.2.1 and 3.3.1 Tsjerk Wassenaar
[gmx-users] Energy minimization Tsjerk Wassenaar
[gmx-users] Counter ion and PME Tsjerk Wassenaar
[gmx-users] Energy minimization Tsjerk Wassenaar
[gmx-users] Counter ion and PME Tsjerk Wassenaar
[gmx-users] using fortran for xtc files Tsjerk Wassenaar
[gmx-users] coarse grain topology file Tsjerk Wassenaar
[gmx-users] Topology file for D2O Tsjerk Wassenaar
[gmx-users] parinello-rahman coupling Tsjerk Wassenaar
[gmx-users] Fwd: Drug - Enzyme Tutorial Tsjerk Wassenaar
[gmx-users] Fwd: How can I do the simulation of a protein with Tyr (SO3H) Tsjerk Wassenaar
[gmx-users] parinello-rahman coupling Tsjerk Wassenaar
[gmx-users] gen_vel Tsjerk Wassenaar
[gmx-users] parinello-rahman coupling Tsjerk Wassenaar
[gmx-users] Fwd: How can I do the simulation of a protein with Tyr (SO3H) Tsjerk Wassenaar
[gmx-users] Fwd: How can I do the simulation of a protein with Tyr (SO3H) Tsjerk Wassenaar
[gmx-users] my big problem Tsjerk Wassenaar
[gmx-users] my big problem Tsjerk Wassenaar
[gmx-users] my big problem Tsjerk Wassenaar
[gmx-users] splitting of chains Tsjerk Wassenaar
[gmx-users] splitting chains Tsjerk Wassenaar
[gmx-users] Carbon Nanotube Simulations Tom Weingarten
[gmx-users] How to turn off Langevin thermostat for NVE Simulation WU Yanbin
[gmx-users] Removing PBC from Replica Exchange Trajectory Yang Ye
[gmx-users] Gaussian 03 and Gromacs Yang Ye
[gmx-users] Re:Information about .mdp file Yang Ye
[gmx-users] grompp problem Yang Ye
[gmx-users] Removing PBC from Replica Exchange Trajectory Yang Ye
[gmx-users] Removing PBC from Replica Exchange Trajectory Yang Ye
[gmx-users] Restarting a gromacs calcluation Yang Ye
[gmx-users] grompp problem Yang Ye
[gmx-users] Adding a new force field to Gromacs Yang Ye
[gmx-users] Restarting a gromacs calcluation Yang Ye
[gmx-users] oplsaa with tip4p Yang Ye
[gmx-users] Appropriate tool to get the number of solvent molecules within a cutoff distance around protein molecule Yang Ye
[gmx-users] How to extend Ryckaert-Bellemans parameters? Yang Ye
[gmx-users] a question about coarse grain simulation method Yang Ye
[gmx-users] coarse grain topology file Yang Ye
[gmx-users] problem with g_rdf Yang Ye
[gmx-users] Re: consultation on coarse grain method Yang Ye
[gmx-users] grompp error with cpp Yang Ye
[gmx-users] Counter ion and PME Yang Ye
[gmx-users] using fortran for xtc files Yang Ye
[gmx-users] Deshuffling a .gro file Yang Ye
[gmx-users] gen_vel Yang Ye
[gmx-users] Deshuffling a .gro file Yang Ye
[gmx-users] Fwd: How can I do the simulation of a protein with Tyr (SO3H) Yang Ye
[gmx-users] two chains Yang Ye
[gmx-users] Topology file for D2O Joys Yu
[gmx-users] Topology file for D2O Joys Yu
[gmx-users] Mac OS X with MKL Warner Yuen
[gmx-users] Re: gmx-users Digest, Vol 35, Issue 11 Warner Yuen
[gmx-users] realloc Error ! Qiang Zhong
[gmx-users] Re:realloc Error ! Qiang Zhong
[gmx-users] Re:realloc Error ! Qiang Zhong
[gmx-users] isotropic force constant? Qiang Zhong
[gmx-users] Salt concentration! Qiang Zhong
[gmx-users] Re:isotropic force constant Qiang Zhong
[gmx-users] Restrict Terminal of protein? Qiang Zhong
[gmx-users] Priority of [ pairs ] and nrexcl? Hu Zhongqiao
[gmx-users] About the evaluation for the free energy of lipid/protein interacion Shulin Zhuang
[gmx-users] About the evaluation for the free energy of lipid/protein interacion Shulin Zhuang
[gmx-users] About the evaluation for the free energy of lipid/protein interacion Shulin Zhuang
[gmx-users] Energies rising bharat v. adkar
[gmx-users] grompp error best alep
[gmx-users] multiple T-Coupling best alep
[gmx-users] Number of grid cells is zero!! best alep
[gmx-users] Number of grid cells is zero best alep
[gmx-users] Fwd: Position Restraint time for octanol nur avneet
[gmx-users] Simulation in octanol as solvent nur avneet
[gmx-users] Simulation in octanol as solvent nur avneet
[gmx-users] Simulation in octanol as solvent nur avneet
[gmx-users] Fwd: Drug - Enzyme Tutorial fulya caglar
[gmx-users] Fwd: How can I do the simulation of a protein with Tyr (SO3H) fulya caglar
[gmx-users] Fwd: Drug - Enzyme Tutorial fulya caglar
[gmx-users] Fwd: How can I do the simulation of a protein with Tyr (SO3H) fulya caglar
[gmx-users] Fwd: How can I do the simulation of a protein with Tyr (SO3H) fulya caglar
[gmx-users] g_rdf marco cammarata
[gmx-users] any help for PPPM? feng chen
[gmx-users] Which force-field for DNA-protein complex ? mathieu coincon
[gmx-users] compiling with intel. No -lXm found. dimitry.a.suplatov
[gmx-users] Appropriate tool to get the number of solventmolecules within a cutoff distance around protein molecule ozge engin
[gmx-users] Re:Information about .mdp file sunita gupta
[gmx-users] gmxcheck and trjconv spitaleri.andrea at hsr.it
[gmx-users] coordination number of ion: rdf integration spitaleri.andrea at hsr.it
[gmx-users] mindist during MD spitaleri.andrea at hsr.it
[gmx-users] master node dilema aneamtu at iasi.mednet.ro
[gmx-users] vacuum right but melt collapse kitty ji
[gmx-users] vacuum right but melt collapse kitty ji
[gmx-users] vacuum right but melt collapse kitty ji
[gmx-users] vacuum right but melt collapse kitty ji
[gmx-users] High value of Potential energy ravi kant
[gmx-users] problem regarding "mdrun" and "g_hbond" sangeeta kundu
[gmx-users] problem regarding "mdrun" and "g_hbond" sangeeta kundu
[gmx-users] problem regarding "mdrun" and "g_hbond" sangeeta kundu
[gmx-users] gen_vel özge kül
[gmx-users] my big problem özge kül
[gmx-users] two chains özge kül
[gmx-users] splitting of chains özge kül
[gmx-users] spliting chains özge kül
[gmx-users] splitting chains özge kül
[gmx-users] splitting chains özge kül
[gmx-users] splitting chains özge kül
[gmx-users] splitting chains özge kül
[gmx-users] coarse grain topology file yuemin liu
[gmx-users] (no subject) maite lopez
[gmx-users] grompp error in peptide-membrane simulations maite lopez
[gmx-users] grompp error in peptide-membrane simulations maite lopez
[gmx-users] grompp error in peptide-membrane simulations maite lopez
[gmx-users] peptide-membrane simulations maite lopez
[gmx-users] peptide-membrane simulations maite lopez
[gmx-users] peptide-membrane simulations maite lopez
[gmx-users] POPC membrane simulation (popc.itp) maite lopez
[gmx-users] POPC membrane simulations maite lopez
[gmx-users] POPC membrane simulations maite lopez
[gmx-users] parinello-rahman coupling lorix
[gmx-users] parinello-rahman coupling lorix
[gmx-users] parinello-rahman coupling lorix
[gmx-users] setup problem merc mertens
[gmx-users] setup problem merc mertens
[gmx-users] System is exploding abhigna polavarapu
[gmx-users] simulation of a dimer priya priya
[gmx-users] peptide coming out of the box priya priya
[gmx-users] 1-4 interaction error sonali priyadarshini
[gmx-users] (no subject) sansanqin at mails.tsinghua.edu.cn
[gmx-users] using fortran for xtc files singh
[gmx-users] gmxcheck and trjconv andrea spitaleri
[gmx-users] gmxcheck and trjconv andrea spitaleri
[gmx-users] gmxcheck and trjconv andrea spitaleri
[gmx-users] coordination number of ion: rdf integration andrea spitaleri
[gmx-users] peptide coming out of the box andrea spitaleri
[gmx-users] PCoorA and Energies andrea spitaleri
[gmx-users] mindist during MD andrea spitaleri
[gmx-users] rdf bug in 3.3.1 depending on the gcc? andrea spitaleri
[gmx-users] rdf bug in 3.3.1 depending on the gcc? andrea spitaleri
[gmx-users] ion contact: rdf does not tend to 1 andrea spitaleri
[gmx-users] genion halted andrea spitaleri
[gmx-users] genion halted andrea spitaleri
[gmx-users] genion halted andrea spitaleri
[gmx-users] splitting of chains andrea spitaleri
[gmx-users] scaling factor?? priyanka srivastava
[gmx-users] lipid.itp??? priyanka srivastava
[gmx-users] g_rdf normalisation syma
[gmx-users] help with g_sdf syma
[gmx-users] g_sdf again syma
[gmx-users] g_sdf again syma
[gmx-users] Frozen atoms and energy group exclusion toma0052
[gmx-users] Frozen atoms and energy group exclusion toma0052
[gmx-users] Deshuffling a .gro file toma0052
[gmx-users] grompp error with cpp toma0052
[gmx-users] grompp error with cpp toma0052
[gmx-users] Deshuffling a .gro file toma0052
[gmx-users] time life sguidu at unsl.edu.ar
[gmx-users] interpretation life time sguidu at unsl.edu.ar
[gmx-users] interpretation life time-2 sguidu at unsl.edu.ar
回复： [gmx-users] about PMF calculation xi zhao
[gmx-users] can gromacs simulate the c60? zzhwise1
[gmx-users] why gmx can not minimize the sio2? zzhwise1
[gmx-users] Energy minimization Александр Журавлев
[gmx-users] a question about coarse grain simulation method 秦姗姗
[gmx-users] a question about coarse grain simulation method 秦姗姗
[gmx-users] about PMF calculation 黄永棋
[gmx-users] g_wham and the *.pdo files 黄永棋
[gmx-users] How to calculate angle dependent rdf 齐文鹏
[gmx-users] How to calculate angle dependent rdf 齐文鹏
[gmx-users] How to use different potential interaction in gromacs 齐文鹏

Last message date: Sat Mar 31 22:15:58 CEST 2007
Archived on: Thu Nov 14 12:03:30 CET 2013

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