March 2007 Archives by thread

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

• [gmx-users] box size changed   Nancy Deng
  • [gmx-users] box size changed   Mark Abraham
    • [gmx-users] box size changed   Nancy Deng
      • [gmx-users] degree of freedom   Nicolas SAPAY
      • [gmx-users] degree of freedom   Mark Abraham
      • [gmx-users] degree of freedom   Nicolas SAPAY
      • [gmx-users] degree of freedom   Mark Abraham
      • [gmx-users] degree of freedom   Nicolas SAPAY
      • [gmx-users] box size changed   Mark Abraham
      • [gmx-users] box size changed   Tsjerk Wassenaar
      • [gmx-users] box size changed   Nancy Deng
      • [gmx-users] box size changed   Erik Marklund
      • [gmx-users] box size changed   Tsjerk Wassenaar
• [gmx-users] problem with trjconv   Mark Abraham
• [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   Mark Abraham
    • [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   Mark Abraham
      • [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   Mark Abraham
      • [gmx-users] About the evaluation for the free energy of lipid/protein interacion   David Mobley
• [gmx-users] Priority of [ pairs ] and nrexcl?   Hu Zhongqiao
• [gmx-users] Charges?   Triguero, Luciano O
  • [gmx-users] Charges?   Mark Abraham
• [gmx-users] free radicals   emra Heshmati
  • [gmx-users] free radicals   David van der Spoel
• [gmx-users] trjconv and missing chain identifier   Una Bjarnadottir
  • [gmx-users] trjconv and missing chain identifier   Mark Abraham
• [gmx-users] (no subject)   maite lopez
  • [gmx-users] (no subject)   Tsjerk Wassenaar
  • [gmx-users] (no subject)   Mark Abraham
• [gmx-users] grompp error in peptide-membrane simulations   maite lopez
  • [gmx-users] grompp error in peptide-membrane simulations   Tsjerk Wassenaar
    • [gmx-users] grompp error in peptide-membrane simulations   maite lopez
      • [gmx-users] grompp error in peptide-membrane simulations   Mark Abraham
      • [gmx-users] grompp error in peptide-membrane simulations   Tsjerk Wassenaar
      • [gmx-users] grompp error in peptide-membrane simulations   maite lopez
• [gmx-users] master node dilema   aneamtu at iasi.mednet.ro
  • [gmx-users] master node dilema   Erik Lindahl
• [gmx-users] realloc Error !   Qiang Zhong
  • [gmx-users] realloc Error !   Mark Abraham
• [gmx-users] any help for PPPM?   feng chen
  • [gmx-users] any help for PPPM?   David van der Spoel
• [gmx-users] Re:realloc Error !   Qiang Zhong
  • [gmx-users] Re:realloc Error !   Mark Abraham
• [gmx-users] problems with nsgrid   Gianfranco Bocchinfuso
• [gmx-users] Re: Re: trjconv and missing chain identifier   Una Bjarnadottir
  • [gmx-users] Re: Re: trjconv and missing chain identifier   Tsjerk Wassenaar
  • [gmx-users] Re: Re: trjconv and missing chain identifier   Mark Abraham
    • [gmx-users] g_bond -hx   Ester Chiessi
• [gmx-users] Protein Dipole moment   Georgios Patargias
  • [gmx-users] Protein Dipole moment   Qiao Baofu
    • [gmx-users] Protein Dipole moment   Georgios Patargias
      • [gmx-users] Protein Dipole moment   David van der Spoel
      • [gmx-users] Protein Dipole moment   Georgios Patargias
    • [gmx-users] Use of g_dielectric   Georgios Patargias
      • [gmx-users] Use of g_dielectric   David van der Spoel
      • [gmx-users] Use of g_dielectric   Georgios Patargias
      • [gmx-users] Use of g_dielectric   David van der Spoel
      • [gmx-users] g_dipoles and charged molecules   Georgios Patargias
• [gmx-users] Re: Carbon nanotube force field   David van der Spoel
• [gmx-users] Inconsistent shifts using multiple bonds type 6   TJ Piggot
  • [gmx-users] Inconsistent shifts using multiple bonds type 6   Mark Abraham
    • [gmx-users] Inconsistent shifts using multiple bonds type 6   TJ Piggot
      • [gmx-users] Inconsistent shifts using multiple bonds type 6   Berk Hess
      • [gmx-users] Inconsistent shifts using multiple bonds type 6   TJ Piggot
      • [gmx-users] Inconsistent shifts using multiple bonds type 6   Berk Hess
      • [gmx-users] Inconsistent shifts using multiple bonds type 6   TJ Piggot
      • [gmx-users] setup problem   merc mertens
      • [gmx-users] setup problem   Dallas B. Warren
      • [gmx-users] setup problem   Mark Abraham
      • [gmx-users] setup problem   merc mertens
      • [gmx-users] setup problem   Tsjerk Wassenaar
• [gmx-users] Frozen atoms and energy group exclusion   toma0052
  • [gmx-users] Frozen atoms and energy group exclusion   Mark Abraham
• [gmx-users] Re:realloc Error !   Qiang Zhong
• [gmx-users] Frozen atoms and energy group exclusion   toma0052
  • [gmx-users] g_density : centering the density distribution plot   Arneh Babakhani
• [gmx-users] vacuum right but melt collapse   kitty ji
  • [gmx-users] vacuum right but melt collapse   Mark Abraham
• [gmx-users] .GRO and .TOP files editing   Karthikeyan Pasupathy
  • [gmx-users] .GRO and .TOP files editing   Mark Abraham
• [gmx-users] Mac OS X with MKL   Warner Yuen
  • [gmx-users] Mac OS X with MKL   Erik Lindahl
• [gmx-users] Re: Frozen atoms and energy group exclusion   Janne Hirvi
• [gmx-users] Re: .GRO and .TOP files editing   Vojtěch Spiwok
• [gmx-users] Re: .GRO and .TOP files editing   Luke Pestl
• [gmx-users] positive system total-energy   Qiao Baofu
  • [gmx-users] positive system total-energy   David van der Spoel
    • [gmx-users] positive system total-energy   Qiao Baofu
      • [gmx-users] positive system total-energy   David van der Spoel
• [gmx-users] Re: gmx-users Digest, Vol 35, Issue 11   Warner Yuen
  • [gmx-users] Re: gmx-users Digest, Vol 35, Issue 11   Erik Lindahl
• [gmx-users] limitations in the umbrella sampling   Seungho Choe
  • [gmx-users] limitations in the umbrella sampling   Berk Hess
  • [gmx-users] limitations in the umbrella sampling   Seungho Choe
• [gmx-users] Which force-field for DNA-protein complex ?   mathieu coincon
  • [gmx-users] Which force-field for DNA-protein complex ?   Erik Marklund
  • [gmx-users] Which force-field for DNA-protein complex ?   Maik Goette
• [gmx-users] vacuum right but melt collapse   kitty ji
  • [gmx-users] vacuum right but melt collapse   Tsjerk Wassenaar
• [gmx-users] Atom index (1) in settles out of bounds (1-0)   Joern Lenz
• [gmx-users] g_rdf   marco cammarata
  • [gmx-users] g_rdf   David van der Spoel
  • [gmx-users] g_rdf   Qiao Baofu
• [gmx-users] Fwd: 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)   Mark Abraham
• [gmx-users] gmxcheck and trjconv   andrea spitaleri
  • [gmx-users] gmxcheck and trjconv   David van der Spoel
    • [gmx-users] gmxcheck and trjconv   andrea spitaleri
    • [gmx-users] gmxcheck and trjconv   andrea spitaleri
      • [gmx-users] gmxcheck and trjconv   David van der Spoel
      • [gmx-users] gmxcheck and trjconv   Tsjerk Wassenaar
• [gmx-users] gmxcheck and trjconv   spitaleri.andrea at hsr.it
• [gmx-users] genbox give coord file more waters than top file   WILLIAM R WELCH
  • [gmx-users] genbox give coord file more waters than top file   Mark Abraham
    • [gmx-users] genbox give coord file more waters than top file   Erik Marklund
      • [gmx-users] genbox give coord file more waters than top file   Mark Abraham
      • [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] PME, epsilon_rf and dielectric constant calculation   Itamar Kass
  • [gmx-users] PME, epsilon_rf and dielectric constant calculation   Mark Abraham
    • [gmx-users] PME, epsilon_rf and dielectric constant calculation   Itamar Kass
      • [gmx-users] PME, epsilon_rf and dielectric constant calculation   Mark Abraham
      • [gmx-users] PME, epsilon_rf and dielectric constant calculation   David van der Spoel
  • [gmx-users] PME, epsilon_rf and dielectric constant calculation   Qiao Baofu
• [gmx-users] vacuum right but melt collapse   kitty ji
  • [gmx-users] vacuum right but melt collapse   Tsjerk Wassenaar
• [gmx-users] grompp error   best alep
  • [gmx-users] grompp error   Martin Höfling
• [gmx-users] Re: Request   Anton Feenstra
• [gmx-users] Chimera GROMACS support   David Mobley
• [gmx-users] How to calculate angle dependent rdf   =?gb2312?B?xuvOxMX0?=
• [gmx-users] about the position-restrained MD.   Liu Lin
  • [gmx-users] about the position-restrained MD.   Mark Abraham
    • [gmx-users] about the position-restrained MD.   Liu Lin
      • [gmx-users] about the position-restrained MD.   Mark Abraham
• [gmx-users] can gromacs simulate the c60?   zzhwise1
  • [gmx-users] can gromacs simulate the c60?   Mark Abraham
  • [gmx-users] can gromacs simulate the c60?   David van der Spoel
• [gmx-users] vacuum right but melt collapse   Tsjerk Wassenaar
• [gmx-users] vacuum right but melt collapse   kitty ji
  • [gmx-users] vacuum right but melt collapse   Tsjerk Wassenaar
• [gmx-users] compiling with intel. No -lXm found.   dimitry.a.suplatov
  • [gmx-users] compiling with intel. No -lXm found.   Erik Lindahl
• [gmx-users] updated perl script for calculating forces   Emily Walton
  • [gmx-users] updated perl script for calculating forces   Mark Abraham
• [gmx-users] REMD and demux.pl   Arindam Ganguly
  • [gmx-users] REMD and demux.pl   Mark Abraham
• [gmx-users] compiling with intel. No -lXm found.   DimitryASuplatov
• [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   Marc F. Lensink
    • [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   Marc F. Lensink
• [gmx-users] REMD and demux.pl   Arindam Ganguly
  • [gmx-users] REMD and demux.pl   Mark Abraham
• [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   Mark Abraham
• [gmx-users] multiple T-Coupling   best alep
  • [gmx-users] multiple T-Coupling   Mark Abraham
• [gmx-users] How to calculate angle dependent rdf   =?gb2312?B?xuvOxMX0?=
  • [gmx-users] How to calculate angle dependent rdf   Qiao Baofu
• [gmx-users] g_sham -dim ? (fwd)   Alexandra Patriksson
  • [gmx-users] g_sham -dim ? (fwd)   Berk Hess
    • [gmx-users] g_sham -dim ? (fwd)   David van der Spoel
      • [gmx-users] g_sham -dim ? (fwd)   Berk Hess
• [gmx-users] DNA Helicoïdal Plots over time   Stéphane Téletchéa
• [gmx-users] pbc in xy only   Wael Soliman
  • [gmx-users] pbc in xy only   David van der Spoel
• [gmx-users] peptide out of box   Rakesh Mishra
  • [gmx-users] peptide out of box   Mark Abraham
    • [gmx-users] peptide out of box   Olivier Perin
      • [gmx-users] peptide out of box   Rakesh Mishra
      • [gmx-users] peptide out of box   Tsjerk Wassenaar
      • [gmx-users] peptide out of box   Mark Abraham
• [gmx-users] Fwd: Position Restraint time for octanol   nur avneet
  • [gmx-users] Fwd: Position Restraint time for octanol   Mark Abraham
• [gmx-users] g_saltbr   Dimitry.A.Suplatov
  • [gmx-users] g_saltbr   Mark Abraham
• [gmx-users] extract initial structure from tpr   Martin Höfling
  • [gmx-users] extract initial structure from tpr   David van der Spoel
• [gmx-users] Heat transfer in collision   Janne Hirvi
• [gmx-users] performance question   Andrei Neamtu
  • [gmx-users] performance question   David Mobley
• [gmx-users] Problems in C8 and C9 chains equilibration   Jones de Andrade
  • [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   David van der Spoel
      • [gmx-users] Problems in C8 and C9 chains equilibration   Jones de Andrade
      • [gmx-users] Problems in C8 and C9 chains equilibration   Tsjerk Wassenaar
      • [gmx-users] Problems in C8 and C9 chains equilibration   Pedro Alexandre de Araújo Gomes Lapido Loureiro
• [gmx-users] totally misunderstood question about genbox   WILLIAM R WELCH
  • [gmx-users] totally misunderstood question about genbox   David van der Spoel
• [gmx-users] Number of grid cells is zero!!   best alep
  • [gmx-users] Number of grid cells is zero!!   Dallas B. Warren
• [gmx-users] Simulation in octanol as solvent   nur avneet
  • [gmx-users] Simulation in octanol as solvent   David van der Spoel
• [gmx-users] virial calculation in the presence of electric field   Sanghyun Park
  • [gmx-users] virial calculation in the presence of electric field   David van der Spoel
• [gmx-users] High value of Potential energy   ravi kant
• [gmx-users] Number of grid cells is zero   best alep
  • [gmx-users] Number of grid cells is zero   David van der Spoel
    • [gmx-users] Number of grid cells is zero   Tsjerk Wassenaar
• [gmx-users] Gaussian 03 and Gromacs   Karina Mai
  • [gmx-users] Gaussian 03 and Gromacs   Rahul B Kasat
    • [gmx-users] Gaussian 03 and Gromacs   Yang Ye
• [gmx-users] virial calculation in the presence of electric field   Sanghyun Park
  • [gmx-users] virial calculation in the presence of electric field   David van der Spoel
• [gmx-users] Removing PBC from Replica Exchange Trajectory   Robert Johnson
  • [gmx-users] Removing PBC from Replica Exchange Trajectory   Tsjerk Wassenaar
    • [gmx-users] Removing PBC from Replica Exchange Trajectory   Yang Ye
      • [gmx-users] Removing PBC from Replica Exchange Trajectory   Robert Johnson
      • [gmx-users] Removing PBC from Replica Exchange Trajectory   Tsjerk Wassenaar
      • [gmx-users] Removing PBC from Replica Exchange Trajectory   Yang Ye
      • [gmx-users] Removing PBC from Replica Exchange Trajectory   Robert Johnson
      • [gmx-users] Removing PBC from Replica Exchange Trajectory   Yang Ye
• [gmx-users] peptide-membrane simulations   maite lopez
  • [gmx-users] peptide-membrane simulations   Justin Lemkul
    • [gmx-users] peptide-membrane simulations   maite lopez
  • [gmx-users] peptide-membrane simulations   Tsjerk Wassenaar
    • [gmx-users] peptide-membrane simulations   maite lopez
      • [gmx-users] peptide-membrane simulations   Tsjerk Wassenaar
• [gmx-users] g_mindist and g_mdmat   SUSAN VARNUM
• [gmx-users] Simulation in octanol as solvent   nur avneet
  • [gmx-users] Simulation in octanol as solvent   Mark Abraham
• [gmx-users] why gmx can not minimize the sio2?   zzhwise1
  • [gmx-users] why gmx can not minimize the sio2?   Tsjerk Wassenaar
• [gmx-users] problem regarding "mdrun" and "g_hbond"   sangeeta kundu
  • [gmx-users] problem regarding "mdrun" and "g_hbond"   Erik Marklund
    • [gmx-users] problem regarding "mdrun" and "g_hbond"   Tsjerk Wassenaar
      • [gmx-users] problem regarding "mdrun" and "g_hbond"   sangeeta kundu
      • [gmx-users] problem regarding "mdrun" and "g_hbond"   Tsjerk Wassenaar
      • [gmx-users] problem regarding "mdrun" and "g_hbond"   sangeeta kundu
      • [gmx-users] problem regarding "mdrun" and "g_hbond"   Erik Marklund
      • [gmx-users] problem regarding "mdrun" and "g_hbond"   Mark Abraham
      • [gmx-users] problem regarding "mdrun" and "g_hbond"   Tsjerk Wassenaar
      • [gmx-users] problem regarding "mdrun" and "g_hbond"   Mark Abraham
      • [gmx-users] problem regarding "mdrun" and "g_hbond"   David van der Spoel
      • [gmx-users] problem regarding "mdrun" and "g_hbond"   Tsjerk Wassenaar
      • [gmx-users] problem regarding "mdrun" and "g_hbond"   Mark Abraham
  • [gmx-users] problem regarding "mdrun" and "g_hbond"   Mark Abraham
• [gmx-users] How to calculate the angle between side chains and helical axis   Afonso Duarte
• [gmx-users] Simulation in octanol as solvent   nur avneet
  • [gmx-users] Simulation in octanol as solvent   Erik Marklund
  • [gmx-users] Simulation in octanol as solvent   Mark Abraham
• [gmx-users] grompp problem   Tom Lenaerts
  • [gmx-users] grompp problem   Ran Friedman
  • [gmx-users] grompp problem   Mark Abraham
    • [gmx-users] grompp problem   Tom Lenaerts
      • [gmx-users] grompp problem   Yang Ye
  • [gmx-users] grompp problem   Olivier Perin
• [gmx-users] time life   sguidu at unsl.edu.ar
  • [gmx-users] time life   Erik Marklund
• [gmx-users] Re:Information about .mdp file   sunita gupta
  • [gmx-users] Re:Information about .mdp file   Yang Ye
• [gmx-users] interpretation life time   sguidu at unsl.edu.ar
  • [gmx-users] interpretation life time   Mark Abraham
• [gmx-users] interpretation life time-2   sguidu at unsl.edu.ar
• [gmx-users] g_rms v. g_rmsdist   Gleb Solomentsev
  • [gmx-users] g_rms v. g_rmsdist   Tsjerk Wassenaar
• [gmx-users] grompp problem   Tom Lenaerts
• [gmx-users] grompp problem   Tom Lenaerts
  • [gmx-users] grompp problem   David van der Spoel
    • [gmx-users] grompp problem   Tsjerk Wassenaar
  • [gmx-users] grompp problem   Yang Ye
• [gmx-users] Writing Coordinates of Atoms Outside Primary Periodic Box   Robert Johnson
  • [gmx-users] Writing Coordinates of Atoms Outside Primary Periodic Box   Tsjerk Wassenaar
• [gmx-users] grompp problem   Tom Lenaerts
  • [gmx-users] grompp problem   Mark Abraham
• [gmx-users] GROMOS vs. Amber   Michal Walczak
  • [gmx-users] GROMOS vs. Amber   Florian Haberl
• [gmx-users] coordination number of ion: rdf integration   spitaleri.andrea at hsr.it
  • [gmx-users] coordination number of ion: rdf integration   Tsjerk Wassenaar
  • [gmx-users] coordination number of ion: rdf integration   Qiao Baofu
    • [gmx-users] coordination number of ion: rdf integration   andrea spitaleri
      • [gmx-users] coordination number of ion: rdf integration   Qiao Baofu
• [gmx-users] g_mdmat question   SUSAN VARNUM
• [gmx-users] isotropic force constant?   Qiang Zhong
  • [gmx-users] isotropic force constant?   Mark Abraham
• [gmx-users] Restarting a gromacs calcluation   Triguero, Luciano O
  • [gmx-users] Restarting a gromacs calcluation   Dallas B. Warren
  • [gmx-users] Restarting a gromacs calcluation   Yang Ye
    • [gmx-users] Restarting a gromacs calcluation   Triguero, Luciano O
      • [gmx-users] Restarting a gromacs calcluation   Tsjerk Wassenaar
      • [gmx-users] Restarting a gromacs calcluation   Milan Melichercik
      • [gmx-users] Restarting a gromacs calcluation   Yang Ye
      • [gmx-users] Restarting a gromacs calcluation   Triguero, Luciano O
      • [gmx-users] Restarting a gromacs calcluation   Tsjerk Wassenaar
      • [gmx-users] Restarting a gromacs calcluation   Triguero, Luciano O
      • [gmx-users] Restarting a gromacs calcluation   David van der Spoel
• [gmx-users] Salt concentration!   Qiang Zhong
  • [gmx-users] Salt concentration!   Mark Abraham
    • [gmx-users] Salt concentration!   Ran Friedman
• [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   Yang Ye
• [gmx-users] g_mindist   OZGE ENGIN
  • [gmx-users] g_mindist   Tsjerk Wassenaar
    • [gmx-users] oplsaa with tip4p   Christian Seifert
      • [gmx-users] oplsaa with tip4p   Yang Ye
      • [gmx-users] oplsaa with tip4p   Maik Goette
• [gmx-users] Adding a new force field to Gromacs   Tandia, Adama
  • [gmx-users] Adding a new force field to Gromacs   Yang Ye
    • [gmx-users] Adding a new force field to Gromacs   David van der Spoel
• [gmx-users] freezing/position restraints and minimization   David Mobley
  • [gmx-users] freezing/position restraints and minimization   Robert Johnson
    • [gmx-users] freezing/position restraints and minimization   David Mobley
      • [gmx-users] freezing/position restraints and minimization   Robert Johnson
      • [gmx-users] freezing/position restraints and minimization   David Mobley
      • [gmx-users] freezing/position restraints and minimization   David Mobley
• [gmx-users] backup files   Pedro Alexandre de Araújo Gomes Lapido Loureiro
  • [gmx-users] backup files   Mark Abraham
    • [gmx-users] backup files   Pedro Alexandre de Araújo Gomes Lapido Loureiro
      • [gmx-users] backup files   Mark Abraham
      • [gmx-users] backup files   Pedro Alexandre de Araújo Gomes Lapido Loureiro
      • [gmx-users] backup files   Diego Enry
      • [gmx-users] backup files   Ignacio Fernández Galván
• [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   Erik Marklund
• [gmx-users] Gromacs 3.3.1 vs SegFault   Stas Bobritsky
  • [gmx-users] Gromacs 3.3.1 vs SegFault   David van der Spoel
• [gmx-users] freezing/position restraints and minimization   Jeroen van Bemmelen
  • [gmx-users] freezing/position restraints and minimization   David van der Spoel
    • [gmx-users] freezing/position restraints and minimization   David Mobley
• [gmx-users] about PMF calculation   =?gbk?B?u8bTwMbl?=
  • =?gb2312?q?=BB=D8=B8=B4=A3=BA=20[gmx-users]=20about=20PMF=20calculation?=   xi zhao
• [gmx-users] Fatal error when using Hbond restraints   Robert Johnson
  • [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] Appropriate tool to get the number of solvent molecules within a cutoff distance around protein molecule   OZGE ENGIN
• [gmx-users] POPC membrane simulation (popc.itp)   maite lopez
• [gmx-users] Re:isotropic force constant   Qiang Zhong
  • [gmx-users] Re:isotropic force constant   Mark Abraham
• [gmx-users] Latha has Tagged you! :)   Latha Karumanchi
• [gmx-users] simulation of a dimer   priya priya
  • [gmx-users] simulation of a dimer   Mark Abraham
• [gmx-users] Appropriate tool to get the number of solvent molecules within a cutoff distance around protein molecule   Anthony Cruz Balberdi
  • [gmx-users] Appropriate tool to get the number of solventmolecules within a cutoff distance around protein molecule   ozge engin
• [gmx-users] turn off pdb output   David Mobley
  • [gmx-users] turn off pdb output   Berk Hess
    • [gmx-users] turn off pdb output   David Mobley
      • [gmx-users] turn off pdb output   Erik Lindahl
      • [gmx-users] turn off pdb output   David Mobley
      • [gmx-users] turn off pdb output   Erik Lindahl
      • [gmx-users] turn off pdb output   David Mobley
      • [gmx-users] turn off pdb output   Erik Lindahl
• [gmx-users] g_wham and the *.pdo files   =?GB2312?B?u8bTwMbl?=
• [gmx-users] Problem of memory allocation while doing g_cluster   Anil Kumar
  • [gmx-users] Problem of memory allocation while doing g_cluster   Mark Abraham
• [gmx-users] Incorrect dihedral restraints   Jonathan Khao
  • [gmx-users] Incorrect dihedral restraints   David Mobley
• [gmx-users] peptide coming out of the box   priya priya
  • [gmx-users] peptide coming out of the box   Tsjerk Wassenaar
    • [gmx-users] peptide coming out of the box   Berk Hess
      • [gmx-users] peptide coming out of the box   andrea spitaleri
      • [gmx-users] peptide coming out of the box   Berk Hess
      • [gmx-users] peptide coming out of the box   Tsjerk Wassenaar
• [gmx-users] PCoorA and Energies   andrea spitaleri
  • [gmx-users] PCoorA and Energies   Tsjerk Wassenaar
• [gmx-users] Deshuffling a .gro file   toma0052
  • [gmx-users] Deshuffling a .gro file   Yang Ye
• [gmx-users] CVS version   Sukit Leekumjorn
  • [gmx-users] CVS version   David van der Spoel
    • [gmx-users] CVS version   Erik Lindahl
• [gmx-users] about the pressure   Liu Lin
  • [gmx-users] about the pressure   Tsjerk Wassenaar
    • [gmx-users] about the pressure   Liu Lin
      • [gmx-users] about the pressure   Tsjerk Wassenaar
      • [gmx-users] about the pressure   Erik Lindahl
• [gmx-users] fail to start ngmx!   Tengfei Luo
  • [gmx-users] fail to start ngmx!   Tsjerk Wassenaar
• [gmx-users] REMD and demux.pl   Arindam Ganguly
• [gmx-users] System is exploding   abhigna polavarapu
  • [gmx-users] System is exploding   David van der Spoel
• [gmx-users] How to extend Ryckaert-Bellemans parameters?   Nicolas Sapay
  • [gmx-users] How to extend Ryckaert-Bellemans parameters?   David van der Spoel
    • [gmx-users] How to extend Ryckaert-Bellemans parameters?   Nicolas Sapay
      • [gmx-users] How to extend Ryckaert-Bellemans parameters?   Mark Abraham
      • [gmx-users] How to extend Ryckaert-Bellemans parameters?   Yang Ye
      • [gmx-users] How to extend Ryckaert-Bellemans parameters?   Nicolas Sapay
      • [gmx-users] How to extend Ryckaert-Bellemans parameters?   David van der Spoel
• [gmx-users] Incorrect dihedral restraints   Jonathan Khao
• [gmx-users] Thiophosphate LJ-Parameters   Maik Goette
• [gmx-users] Restrict Terminal of protein?   Qiang Zhong
  • [gmx-users] Restrict Terminal of protein?   Tsjerk Wassenaar
    • [gmx-users] Restrict Terminal of protein?   Mark Abraham
      • [gmx-users] Restrict Terminal of protein?   Tsjerk Wassenaar
• [gmx-users] POPC membrane simulations   maite lopez
• [gmx-users] information on Na Channels in lipid bilayers ?   Viswanadham Sridhara
• [gmx-users] mindist during MD   spitaleri.andrea at hsr.it
  • [gmx-users] mindist during MD   David van der Spoel
    • [gmx-users] mindist during MD   andrea spitaleri
      • [gmx-users] mindist during MD   David van der Spoel
• [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   Tsjerk Wassenaar
    • [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   Mark Abraham
    • [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   Mark Abraham
    • [gmx-users] incomparable results with files produced with gromacs3.2.1 and 3.3.1   Pedro Alexandre de Araújo Gomes Lapido Loureiro
      • [gmx-users] incomparable results with files produced with gromacs3.2.1 and 3.3.1   Sampo Karkola
• [gmx-users] information on Na Channels in lipid bilayers ?   Pär Bjelkmar
• [[gmx-users] genion error!]   Pär Bjelkmar
• [gmx-users] force field   Ashish Gupta
  • [gmx-users] force field   Erik Lindahl
• [gmx-users] Counter ion and PME   Carlo Camilloni
  • [gmx-users] Counter ion and PME   David Mobley
    • [gmx-users] Counter ion and PME   Erik Lindahl
      • [gmx-users] Counter ion and PME   Tsjerk Wassenaar
      • [gmx-users] Counter ion and PME   David van der Spoel
      • [gmx-users] Counter ion and PME   Tsjerk Wassenaar
      • [gmx-users] Counter ion and PME   Yang Ye
• [gmx-users] pbc_dx specific compilation or linking problem   Chris Neale
  • [gmx-users] pbc_dx specific compilation or linking problem   Berk Hess
• [gmx-users] POPC membrane simulations   Chris Neale
  • [gmx-users] POPC membrane simulations   maite lopez
    • [gmx-users] Problems with fftw libraries during gromacs configure   Mario Campo
      • [gmx-users] Problems with fftw libraries during gromacs configure   Mark Abraham
• [gmx-users] scaling factor??   priyanka srivastava
• [gmx-users] Energy minimization   Александр Журавлев
  • [gmx-users] Energy minimization   Tsjerk Wassenaar
    • [gmx-users] Energy minimization   Erik Lindahl
      • [gmx-users] Energy minimization   Mark Abraham
    • [gmx-users] Energy minimization   Mark Abraham
      • [gmx-users] Energy minimization   Tsjerk Wassenaar
• [gmx-users] reaction field kappa and ionic strength   Daniela S. Mueller
  • [gmx-users] reaction field kappa and ionic strength   David van der Spoel
• [gmx-users] beta dihedral potential for nucleic acid backbone missing in force field file   Daniela S. Mueller
• [gmx-users] POPC membrane simulations   Chris Neale
• [gmx-users] RE: pbc_dx specific compilation or linking problem   Chris Neale
• [gmx-users] grompp error with cpp   toma0052
  • [gmx-users] grompp error with cpp   David van der Spoel
• [gmx-users] a question about coarse grain simulation method   =?gb2312?b?x9jmqeap?=
  • [gmx-users] a question about coarse grain simulation method   Mark Abraham
• [gmx-users] a question about coarse grain simulation method   =?gb2312?b?x9jmqeap?=
  • [gmx-users] a question about coarse grain simulation method   Yang Ye
• [gmx-users] (no subject)   sansanqin at mails.tsinghua.edu.cn
• [gmx-users] lipid.itp???   priyanka srivastava
• [gmx-users] (no subject)   OZGE ENGIN
• [gmx-users] coarse grain topology file   Shanshan Qin
  • [gmx-users] coarse grain topology file   yuemin liu
    • [gmx-users] coarse grain topology file   Yang Ye
• [gmx-users] problem with g_rdf   OZGE ENGIN
  • [gmx-users] problem with g_rdf   Yang Ye
  • [gmx-users] problem with g_rdf   Dallas B. Warren
• [gmx-users] coarse grain topology file   Shanshan Qin
  • [gmx-users] coarse grain topology file   Mark Abraham
    • [gmx-users] coarse grain topology file   Tsjerk Wassenaar
• [gmx-users] Re: consultation on coarse grain method   Yang Ye
• [gmx-users] grompp error with cpp   toma0052
  • [gmx-users] grompp error with cpp   Yang Ye
• [gmx-users] using fortran for xtc files   singh
  • [gmx-users] using fortran for xtc files   Tsjerk Wassenaar
    • [gmx-users] using fortran for xtc files   Jones de Andrade
      • [gmx-users] using fortran for xtc files   David van der Spoel
      • [gmx-users] using fortran for xtc files   Jones de Andrade
      • [gmx-users] using fortran for xtc files   David van der Spoel
      • [gmx-users] using fortran for xtc files   Jones de Andrade
      • [gmx-users] using fortran for xtc files   David van der Spoel
      • [gmx-users] using fortran for xtc files   Yang Ye
• [gmx-users] Re: Counter ion and PME   Carlo Camilloni
• [gmx-users] using fortran for xtc files   Ashish Gupta
• [gmx-users] Energies rising   Sampo Karkola
  • [gmx-users] Energies rising   David van der Spoel
  • [gmx-users] Energies rising   bharat v. adkar
    • [gmx-users] Energies rising   Sampo Karkola
      • [gmx-users] Energies rising   David van der Spoel
• [Fwd: Re: [gmx-users] Energies rising]   Sampo Karkola
• [gmx-users] g_rdf normalisation   syma
  • [gmx-users] g_rdf normalisation   Qiao Baofu
• [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?   David van der Spoel
    • [gmx-users] rdf bug in 3.3.1 depending on the gcc?   andrea spitaleri
• [gmx-users] Carbon Nanotube Simulations   George Abadir
  • [gmx-users] Carbon Nanotube Simulations   Mark Abraham
    • [gmx-users] Carbon Nanotube Simulations   Tom Weingarten
• [gmx-users] Topology file for D2O   Joys Yu
  • [gmx-users] Topology file for D2O   Tsjerk Wassenaar
  • [gmx-users] Topology file for D2O   Andrés N. McCarthy
    • [gmx-users] Topology file for D2O   David Mobley
• [gmx-users] parinello-rahman coupling   lorix
  • [gmx-users] parinello-rahman coupling   Tsjerk Wassenaar
    • [gmx-users] parinello-rahman coupling   lorix
      • [gmx-users] parinello-rahman coupling   Tsjerk Wassenaar
      • [gmx-users] parinello-rahman coupling   lorix
      • [gmx-users] parinello-rahman coupling   Tsjerk Wassenaar
• [gmx-users] Fwd: Drug - Enzyme Tutorial   fulya caglar
  • [gmx-users] Fwd: Drug - Enzyme Tutorial   Tsjerk Wassenaar
    • [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)   Tsjerk Wassenaar
• [gmx-users] gen_vel   özge kül
  • [gmx-users] gen_vel   Tsjerk Wassenaar
  • [gmx-users] gen_vel   Yang Ye
  • [gmx-users] gen_vel   Mark Abraham
• [gmx-users] Converting CHARMM trajectories (.trj) to GROMACS trajectories (.xtc)   Hwankyu Lee
  • [gmx-users] Converting CHARMM trajectories (.trj) to GROMACS trajectories (.xtc)   Mark Abraham
• [gmx-users] tabulated nonbonded interactions and free energy calculations   David Mobley
• [gmx-users] Incorrect dihedral restraints   Jonathan Khao
• [gmx-users] Deshuffling a .gro file   toma0052
  • [gmx-users] Deshuffling a .gro file   Yang Ye
• [gmx-users] help with g_sdf   syma
  • [gmx-users] help with g_sdf   Dallas B. Warren
• [gmx-users] Topology file for D2O   Joys Yu
• [gmx-users] How to turn off Langevin thermostat for NVE Simulation   WU Yanbin
• [gmx-users] Carbon Nanotube Simulations   George Abadir
  • [gmx-users] Carbon Nanotube Simulations   Robert Johnson
    • [gmx-users] Carbon Nanotube Simulations   George Abadir
    • [gmx-users] Carbon Nanotube Simulations   George Abadir
      • [gmx-users] Carbon Nanotube Simulations   Mark Abraham
      • [gmx-users] Carbon Nanotube Simulations   George Abadir
      • [gmx-users] Carbon Nanotube Simulations   Robert Johnson
      • [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] Generating carbon nanotubes for GROMACS   Robert Johnson
• [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)   Mark Abraham
    • [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)   fulya caglar
      • [gmx-users] Fwd: How can I do the simulation of a protein with Tyr (SO3H)   Mark Abraham
      • [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)   Yang Ye
• [gmx-users] ion contact: rdf does not tend to 1   andrea spitaleri
  • [gmx-users] ion contact: rdf does not tend to 1   Dallas B. Warren
• [gmx-users] 1-4 interaction error   sonali priyadarshini
  • [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] angle-dependent radial distribution function -- documentation problem, or how?   David Mobley
• [gmx-users] Orientation of DMSO   Dinesh Pinisetty
  • [gmx-users] Orientation of DMSO   Carl Caleman
• [gmx-users] How to use different potential interaction in gromacs   =?gb2312?B?xuvOxMX0?=
  • [gmx-users] How to use different potential interaction in gromacs   Mark Abraham
• [gmx-users] query about making a pdb file   Jagannath Mondal
  • [gmx-users] query about making a pdb file   Jay Mashl
    • [gmx-users] query about making a pdb file   Jagannath Mondal
      • [gmx-users] query about making a pdb file   Jay Mashl
• [gmx-users] my big problem   özge kül
  • [gmx-users] my big problem   Tsjerk Wassenaar
  • [gmx-users] my big problem   Mark Abraham
    • [gmx-users] my big problem   Tsjerk Wassenaar
      • [gmx-users] my big problem   Tsjerk Wassenaar
• [gmx-users] genion halted   Sampo Karkola
  • [gmx-users] genion halted   andrea spitaleri
    • [gmx-users] genion halted   Sampo Karkola
      • [gmx-users] genion halted   andrea spitaleri
      • [gmx-users] genion halted   Sampo Karkola
      • [gmx-users] genion halted   andrea spitaleri
• [gmx-users] g_sdf again   syma
  • [gmx-users] g_sdf again   Dallas B. Warren
    • [gmx-users] g_sdf again   Qiao Baofu
      • [gmx-users] g_sdf again   syma
• [gmx-users] two chains   özge kül
  • [gmx-users] two chains   Dallas B. Warren
  • [gmx-users] two chains   Mark Abraham
  • [gmx-users] two chains   Yang Ye
• [gmx-users] Orientation of DMSO   Dinesh Pinisetty
  • [gmx-users] Orientation of DMSO   David van der Spoel
• [gmx-users] Simulation cell rotation and CRYST1/periodic box information   Marc Baaden
  • [gmx-users] Simulation cell rotation and CRYST1/periodic box information   Erik Marklund
• [gmx-users] splitting of chains   özge kül
  • [gmx-users] splitting of chains   Tsjerk Wassenaar
  • [gmx-users] splitting of chains   andrea spitaleri
• [gmx-users] spliting chains   özge kül
  • [gmx-users] spliting chains   Erik Marklund
• [gmx-users] bug in ffoplsaanb.itp?   David Mobley
  • [gmx-users] bug in ffoplsaanb.itp?   Erik Lindahl
    • [gmx-users] bug in ffoplsaanb.itp?   David Mobley
  • [gmx-users] bug in ffoplsaanb.itp?   David van der Spoel
• [gmx-users] splitting chains   özge kül
• [gmx-users] splitting chains   özge kül
  • [gmx-users] splitting chains   Erik Marklund
• [gmx-users] splitting chains   özge kül
  • [gmx-users] splitting chains   Tsjerk Wassenaar
    • [gmx-users] splitting chains   Mark Abraham
  • [gmx-users] splitting chains   Erik Marklund
• [gmx-users] Missing LJ interaction   Steve Fiedler
• [gmx-users] splitting chains   Alpay Temiz
• [gmx-users] Re: bug in ffoplsaanb.itp?   Alan Chen
• [gmx-users] splitting chains   özge kül
  • [gmx-users] splitting chains   Erik Marklund
• [gmx-users] Running GROMACS in PBS   Triguero, Luciano O
  • [gmx-users] Running GROMACS in PBS   David van der Spoel

Last message date: Sat Mar 31 22:15:58 CEST 2007
Archived on: Sat Mar 31 22:16:06 CEST 2007

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