December 2005 Archives by thread

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Starting: Thu Dec 1 01:26:00 CET 2005
Ending: Fri Dec 30 12:44:25 CET 2005
Messages: 706

• [gmx-users] NVT   Junfang.Zhang at csiro.au
  • [gmx-users] NVT   David van der Spoel
    • [gmx-users] Grompp error   Farid Sa'adedin
      • [gmx-users] Grompp error   Alan Dodd
      • [gmx-users] Grompp error   Mark Abraham
      • [gmx-users] Grompp error   fsaadedi at staffmail.ed.ac.uk
• Re: Re: [gmx-users] Can I set only a part of a molecule into freeze group?   Hongwei Tan
  • [gmx-users] Can I set only a part of a molecule into freeze group?   jinming
• [gmx-users] Help about Table.xvg   kun jiao
  • [gmx-users] Help about Table.xvg   David van der Spoel
    • [gmx-users] Help about Table.xvg   kun jiao
      • [gmx-users] Help about Table.xvg   David van der Spoel
      • [gmx-users] Help about Table.xvg   kun jiao
• [gmx-users] Polarisable water model   Dallas B. Warren
• [gmx-users] Error message with grompp   Dallas B. Warren
• [gmx-users] NVT   Dallas B. Warren
  • [gmx-users]future hardware   Andrey V. Golovin
    • [gmx-users]future hardware   Erik Lindahl
      • [gmx-users]future hardware   Mark Abraham
      • [gmx-users]future hardware   Andrey V. Golovin
      • [gmx-users]future hardware   Erik Lindahl
      • [gmx-users]future hardware   Sabuj Pattanayek
      • [gmx-users]future hardware   Itamar Kass
• [gmx-users] mdrun-unknown error   Rahul Karyappa
  • [gmx-users] mdrun-unknown error   David van der Spoel
• [gmx-users] Simulation box explodes   David van der Spoel
• [gmx-users] Can I set only a part of a molecule into freeze group?   Jinming
• [gmx-users] FW: Gromacs version 3.3   Wong, RYM (Richard)
  • [gmx-users] FW: Gromacs version 3.3   Florian Haberl
• [gmx-users] FW: Gromacs version 3.3   Wong, RYM (Richard)
• [gmx-users] -b option for g_order   Beate Griepernau
  • [gmx-users] -b option for g_order   David van der Spoel
    • [gmx-users] -b option for g_order   Beate Griepernau
      • [gmx-users] -b option for g_order   David van der Spoel
      • [gmx-users] -b option for g_order   Beate Griepernau
• [gmx-users]future hardware   Mu Yuguang (Dr)
  • [gmx-users]future hardware   Erik Lindahl
• [gmx-users] Convert A CHARMM pdb file to gromacs   Leonardo Sepulveda Durán
  • [gmx-users] Convert A CHARMM pdb file to gromacs   Maik Goette
• [gmx-users] Polarisable water   Michael Bajomo
  • [gmx-users] Polarisable water   Yang Ye
• [gmx-users] chaining jobs in queuing systems   Florian Haberl
  • [gmx-users] chaining jobs in queuing systems   Viswanadham Sridhara
  • [gmx-users] chaining jobs in queuing systems   David van der Spoel
  • [gmx-users] chaining jobs in queuing systems   Mark Abraham
• [gmx-users] manual 3.3   Anthony Cruz
• [gmx-users] g_chi and torsional angles   Sandor Lovas
• [gmx-users] Re: g_chi and torsional angles   Dongsheng Zhang
• [gmx-users] Re: future hardware   Pim Schravendijk
• [gmx-users] g_energy and average value   Dongsheng Zhang
  • [gmx-users] g_energy and average value   David van der Spoel
• [gmx-users] g_chi and torsional angles   Sandor Lovas
• [gmx-users] Re: netcdf   mprabha at fiu.edu
• [gmx-users] Re: Re:unexpected large difference in potential energy calculation by different method: cut-off and switch   Dongsheng Zhang
  • [gmx-users] Re: Re:unexpected large difference in potential energy calculation by different method: cut-off and switch   David van der Spoel
• [gmx-users] NVT   Junfang.Zhang at csiro.au
• [gmx-users] Re: gmx-users Digest, Vol 20, Issue 9   Dongsheng Zhang
  • [gmx-users] Re: gmx-users Digest, Vol 20, Issue 9   David van der Spoel
• [gmx-users] Deforming a DNA molecule by applying a force   Bob Johnson
  • [gmx-users] Deforming a DNA molecule by applying a force   David van der Spoel
• [gmx-users] RE: NEMD   Junfang.Zhang at csiro.au
  • [gmx-users] RE: NEMD   David van der Spoel
• [gmx-users] Errors in OPLS parameter files   Andrij Baumketner
  • [gmx-users] Errors in OPLS parameter files   Erik Lindahl
• [gmx-users] chaining jobs in queuing systems   Dallas B. Warren
• [gmx-users] Problems with using AFM Pulling   Bob Johnson
  • [gmx-users] Problems with using AFM Pulling   Berk Hess
• Re: Re: [gmx-users] Can I set only a part of a molecule into   Hongwei Tan
• [gmx-users] creating movies in gromacs   Rongliang Wu
  • [gmx-users] creating movies in gromacs   Mark Abraham
  • [gmx-users] creating movies in gromacs   MGiò
• [gmx-users] Atom type of hydrogen bonded to aliphatic carbon   Hiromichi Tsurui
• [gmx-users] AFM Pulling Error   Bob Johnson
  • [gmx-users] AFM Pulling Error   Berk Hess
• [gmx-users] pulldim option in umbrella sampling   Hwankyu Lee
• [gmx-users] COM removal   Bob Johnson
  • [gmx-users] COM removal   David Mobley
    • [gmx-users] COM removal   Tsjerk Wassenaar
• [gmx-users] About using dodecahedron in editconf   qiwenpeng at sinap.ac.cn
  • [gmx-users] About using dodecahedron in editconf   David van der Spoel
    • [gmx-users] About using dodecahedron in editconf   qiwenpeng at sinap.ac.cn
      • [gmx-users] About using dodecahedron in editconf   David van der Spoel
      • [gmx-users] About using dodecahedron in editconf   qiwenpeng at sinap.ac.cn
      • [gmx-users] About using dodecahedron in editconf   David van der Spoel
• [gmx-users] strange problem with parallel mpirun   Lubos Vrbka
  • [gmx-users] strange problem with parallel mpirun   David van der Spoel
    • [gmx-users] strange problem with parallel mpirun   Lubos Vrbka
    • [gmx-users] strange problem with parallel mpirun   Lubos Vrbka
• [gmx-users] No default Angle types, using zeroes   Robson Peguin
• [gmx-users] core and shell   sangyongliang99 at mails.tsinghua.edu.cn
  • [gmx-users] core and shell   Erik Lindahl
  • [gmx-users] core and shell   David van der Spoel
  • [gmx-users] Cutoff length   fsaadedi at staffmail.ed.ac.uk
    • [gmx-users] Cutoff length   Xavier Periole
      • [gmx-users] Cutoff length   fsaadedi at staffmail.ed.ac.uk
      • [gmx-users] Cutoff length   Xavier Periole
      • [gmx-users] Cutoff length   David van der Spoel
    • [gmx-users] Cutoff length   Ran Friedman
• [gmx-users] RE: g_rdf   Junfang.Zhang at csiro.au
  • [gmx-users] RE: g_rdf   Erik Lindahl
• [gmx-users] angular com removal on DNA   Mu Yuguang (Dr)
  • [gmx-users] angular com removal on DNA   David van der Spoel
• [gmx-users] angular com removal on DNA   Mu Yuguang (Dr)
  • [gmx-users] angular com removal on DNA   David van der Spoel
• [gmx-users] COM translation   Janne Hirvi
  • [gmx-users] COM translation   David van der Spoel
• [gmx-users] Fatal error: XTC error   Rahul Karyappa
  • [gmx-users] Fatal error: XTC error   Erik Lindahl
    • [gmx-users] Fatal error: XTC error   David van der Spoel
• [gmx-users] mdrun error   Rahul Karyappa
• [gmx-users] Re: COM translation   Janne Hirvi
  • [gmx-users] Re: COM translation   David van der Spoel
• [gmx-users] energy minimization   Dongsheng Zhang
• [gmx-users] DPPC problem   liu xin
• [gmx-users] how to describe spring between core and shell   sangyongliang99 at mails.tsinghua.edu.cn
  • [gmx-users] how to describe spring between core and shell   David van der Spoel
• [gmx-users] big protein dynamics   Adriana Pietropaolo
  • [gmx-users] big protein dynamics   David van der Spoel
    • [gmx-users] (no subject)   Adriana Pietropaolo
      • [gmx-users] (no subject)   David van der Spoel
• [gmx-users] system collapse   Rongliang Wu
  • [gmx-users] system collapse   David van der Spoel
• [gmx-users] Error on the manual (online and presumably the pdf) ?   Stéphane Teletchéa
  • [gmx-users] Error on the manual (online and presumably the pdf) ?   David van der Spoel
    • [gmx-users] Error on the manual (online and presumably the pdf) ?   Stéphane Teletchéa
      • [gmx-users] Error on the manual (online and presumably the pdf) ?   Mark Abraham
• [gmx-users] energy minimization, freeze CA   Michal Kolinski
  • [gmx-users] energy minimization, freeze CA   David van der Spoel
    • [gmx-users] energy minimization, freeze CA   Vlad Schepanovsky
      • [gmx-users] energy minimization, freeze CA   David van der Spoel
      • [gmx-users] Problem in metalloclusters topology.   Vlad Schepanovsky
      • [gmx-users] energy minimization, freeze CA   Mark Abraham
  • [gmx-users] energy minimization, freeze CA   Berk Hess
• [gmx-users] outputs from parallel jobs   Lubos Vrbka
  • [gmx-users] outputs from parallel jobs   David van der Spoel
  • [gmx-users] outputs from parallel jobs   Mark Abraham
    • [gmx-users] outputs from parallel jobs   Lubos Vrbka
      • [gmx-users] outputs from parallel jobs   David van der Spoel
• [gmx-users] possible typo in sse2 assebly loops source   Lubos Vrbka
• [gmx-users] topology peptide plane   abelius
  • [gmx-users] topology peptide plane   Mark Abraham
• [gmx-users] FFOPLSAA.hdb   Birgit Albrecht
  • [gmx-users] FFOPLSAA.hdb   Mark Abraham
• [gmx-users] RE: g_rdf   Junfang.Zhang at csiro.au
  • [gmx-users] RE: g_rdf   Mark Abraham
• [gmx-users] grompp problem !   liu xin
• [gmx-users] Need some precisions about logfile...   Stéphane Teletchéa
  • [gmx-users] Need some precisions about logfile...   Florian Haberl
    • [gmx-users] Need some precisions about logfile...   Stéphane Teletchéa
• [gmx-users] ffG43a1nb.itp matrix   Magnus Andersson
  • [gmx-users] ffG43a1nb.itp matrix   David van der Spoel
• [gmx-users] Re: grompp problem   Kia Balali-Mood
• [gmx-users] Re: grompp problem   Dongsheng Zhang
• [gmx-users] No default Angle types, using zeroes   Dallas B. Warren
  • [Bulk] RE: [gmx-users] No default Angle types, using zeroes   Yang Ye
• [gmx-users] Can gromacs got average position of a molecule   qiwenpeng at sinap.ac.cn
  • [gmx-users] Can gromacs got average position of a molecule   David van der Spoel
    • [gmx-users] Can gromacs got average position of a molecule   Yang Ye
• 回复： Re: [gmx-users] Distance restraints   xi zhao
  • 回复： Re: [gmx-users] Distance restraints   David van der Spoel
• [gmx-users] install GROMACS   主月 ：）
  • [gmx-users] install GROMACS   Mark Abraham
  • [Bulk] [gmx-users] install GROMACS   Yang Ye
• [gmx-users] install gromacs on cluster   主月 ：）
• [gmx-users] install GROMACS   Wang Zhun
• [gmx-users] adding nonbonded potentials?   Rahul Karyappa
  • [gmx-users] adding nonbonded potentials?   David van der Spoel
  • [gmx-users] adding nonbonded potentials?   Mark Abraham
• [gmx-users] segmetation fault and inconsistent shifts   liu xin
  • [gmx-users] segmetation fault and inconsistent shifts   David van der Spoel
    • [gmx-users] segmetation fault and inconsistent shifts   liu xin
• [gmx-users] Bob Arenburg/Austin/IBM is out of the office.   Bob Arenburg
• [gmx-users] neutralization of a charged protein   Grazia Daminelli
  • [gmx-users] neutralization of a charged protein   David van der Spoel
• [gmx-users] gromacs and cluster   主月 ：）
  • [gmx-users] gromacs and cluster   Mark Abraham
  • [gmx-users] gromacs and cluster   Florian Haberl
    • [gmx-users] gromacs and cluster   Oliver Beckstein
      • [gmx-users] gromacs and cluster   Mark Abraham
• [gmx-users] Parallel installation problem Gromacs-3.3   Naser, Md Abu
  • [gmx-users] Parallel installation problem Gromacs-3.3   David van der Spoel
• [gmx-users] not found in atom type database   Magnus Andersson
  • [gmx-users] not found in atom type database   David van der Spoel
• [gmx-users] Benchmark performance question...   Stéphane Teletchéa
  • [gmx-users] Benchmark performance question...   David van der Spoel
    • [gmx-users] Benchmark performance question...   Stéphane Teletchéa
  • [gmx-users] Benchmark performance question...   Florian Haberl
• [gmx-users] Precision question...   Stéphane Teletchéa
  • [gmx-users] Precision question...   David van der Spoel
• [gmx-users] free binding energy calculation   kruegerj at fh-bingen.de
  • [gmx-users] free binding energy calculation   David Mobley
  • [gmx-users] free binding energy calculation   cesar
• [gmx-users] g_sas output   neda mirsamadi
  • [gmx-users] g_sas output   David van der Spoel
• [gmx-users] How to write each frame to separate files with trjconv?   Xiaobing Feng
  • [gmx-users] How to write each frame to separate files with trjconv?   Nguyen Hoang Phuong
  • [gmx-users] How to write each frame to separate files with trjconv?   David van der Spoel
• [gmx-users] charges in .gro   Anthony Cruz
  • [gmx-users] charges in .gro   Rama Gullapalli
    • [gmx-users] charges in .gro   Daan van Aalten
      • [gmx-users] charges in .gro   David van der Spoel
      • [gmx-users] charges in .gro   Nathan C. Rockwell
      • [gmx-users] charges in .gro   Erik Lindahl
      • [gmx-users] charges in .gro   Daan van Aalten
      • [gmx-users] charges in .gro   Erik Lindahl
  • [gmx-users] charges in .gro   David van der Spoel
    • [gmx-users] charges in .gro   Anthony Cruz
• [gmx-users] Andersen thermostat available in ver 3.3 ?   Sanghyun Park
  • [gmx-users] Andersen thermostat available in ver 3.3 ?   David van der Spoel
    • [gmx-users] Andersen thermostat available in ver 3.3 ?   David Mobley
• [gmx-users] is it equilibriated?   Rongliang Wu
  • [gmx-users] is it equilibriated?   Mark Abraham
• [gmx-users] Temperature coupling of water with ions   sunita at chem.iitb.ac.in
  • [gmx-users] Temperature coupling of water with ions   David van der Spoel
• [gmx-users] [Fwd: PMF or umbrella sampling]   David van der Spoel
  • [gmx-users] [Fwd: PMF or umbrella sampling]   Oliver Beckstein
• [gmx-users] pbs script   主月 ：）
  • [gmx-users] pbs script   Florian Haberl
• [gmx-users] can not run parallel   Naser, Md Abu
  • [gmx-users] can not run parallel   Carsten Kutzner
  • [gmx-users] can not run parallel   David van der Spoel
  • [gmx-users] can not run parallel   Mark Abraham
  • [gmx-users] can not run parallel   Stéphane Teletchéa
• [gmx-users] can not run parallel   Naser, Md Abu
• [gmx-users] is the density abnormal?   Rongliang Wu
• [gmx-users] can not run parallel   Naser, Md Abu
• [gmx-users] can not run parallel   Naser, Md Abu
• [gmx-users] can not run parallel   Naser, Md Abu
• [gmx-users] re: Andersen thermostat available in ver 3.3   Michael Shirts
• [gmx-users] Hessian Calculation   jjvc
• [gmx-users] question regarding sc-power in gromacs 3.3   David Mobley
• [gmx-users] Normal mode analysis   jjvc
  • [gmx-users] Normal mode analysis   David van der Spoel
    • [gmx-users] Normal mode analysis   jjvc
      • [gmx-users] Normal mode analysis   Erik Lindahl
• [gmx-users] torsion angle scan   rob yang
• [gmx-users] Normal modes   jjvc
• [gmx-users] segmentation fault error   Rahul Karyappa
  • [gmx-users] segmentation fault error   Mark Abraham
    • [gmx-users] segmentation fault error   Erik Lindahl
• [gmx-users] I need your help.   Taeho Kim
  • [gmx-users] I need your help.   Mark Abraham
• [gmx-users] adding atom in .atp file   Magnus Andersson
  • [gmx-users] adding atom in .atp file   Erik Lindahl
• [gmx-users] how to stretch a molecle   qiwenpeng at sinap.ac.cn
• [gmx-users] Is there a sw.gro?   sangyongliang99 at mails.tsinghua.edu.cn
  • [gmx-users] Is there a sw.gro?   Paul van Maaren
• [gmx-users] (no subject)   主月 ：）
  • [gmx-users] (no subject)   Mark Abraham
• [gmx-users] PBS   主月 ：）
  • [gmx-users] PBS   Campbell Millar
• [gmx-users] PBS   Mu Yuguang (Dr)
• [gmx-users] GROMACS installation problems (fwd)   David van der Spoel
  • [gmx-users] GROMACS installation problems (fwd)   Erik Lindahl
• [gmx-users] torsion angle scan   Konrad Piwowarczyk
  • [gmx-users] torsion angle scan   rob yang
• [gmx-users] Minimization problem   liu xin
• [gmx-users] unable to download GROMACS source code   Yen-Ting Lai
  • [gmx-users] unable to download GROMACS source code   Stéphane Teletchéa
• [gmx-users] unable to download GROMACS source code   Yen-Ting Lai
• [gmx-users] pdb2gmx error.   Taeho Kim
  • [gmx-users] pdb2gmx error.   David van der Spoel
• [gmx-users] RE: MCY   Junfang.Zhang at csiro.au
• [gmx-users] cpush   主月 ：）
  • [gmx-users] cpush   Mark Abraham
• [gmx-users] Error in MD   Dhananjay chandrashekhar joshi
  • [gmx-users] Error in MD   Mark Abraham
• [gmx-users] Metal ion   Zhu Ruixin
• [gmx-users] Re: unable to download GROMACS source code   Pim Schravendijk
  • [gmx-users] Re: unable to download GROMACS source code   Stéphane Teletchéa
  • [gmx-users] Re: unable to download GROMACS source code   Yang Ye
    • [gmx-users] Re: unable to download GROMACS source code   Erik Lindahl
• [gmx-users] grompp   主月 ：）
  • [gmx-users] grompp   Jochen Hub
  • [gmx-users] grompp   Viswanadham Sridhara
    • [gmx-users] Negative eigenvalues in normal mode analysis   jjvc
  • [gmx-users] grompp   Mark Abraham
• [gmx-users] Re: PBS   Campbell Millar
• [Fwd: Re: Re: [gmx-users] Error in MD]   Mark Abraham
• [gmx-users] Error in MD   Mark Abraham
• [gmx-users] how to stretch a molecule   qiwenpeng at sinap.ac.cn
  • [gmx-users] how to stretch a molecule   Mark Abraham
• [gmx-users] how to stretch a molecule   qiwenpeng at sinap.ac.cn
• [gmx-users] Error in MD   Dhananjay joshi
  • [gmx-users] Error in MD   Mark Abraham
• [gmx-users] Strange total charge for a single ASP system in OPLS   eladp at hplus.tau.ac.il
  • [gmx-users] Strange total charge for a single ASP system in OPLS   Farid Sa'adedin
• [gmx-users] static scattering function   ARGYRIOS KARATRANTOS
• [gmx-users] Analyzing .tpr files   Bob Johnson
  • [gmx-users] Analyzing .tpr files   David van der Spoel
• [gmx-users] RMSD Calculation   Bob Johnson
• [gmx-users] RMSD and fluctuation   ARGYRIOS KARATRANTOS
  • [gmx-users] RMSD and fluctuation   Berk Hess
• [gmx-users] Thanks to all   主月 ：）
• [gmx-users] Where to add ftype for Buckingham potentials?   Rahul Karyappa
  • [gmx-users] Where to add ftype for Buckingham potentials?   David van der Spoel
• [gmx-users] Fatal Error   Dhananjay joshi
  • [gmx-users] Fatal Error   David van der Spoel
• [gmx-users] Genbox error (File input/output error:topol.top)   Soo J
  • [gmx-users] Genbox error (File input/output error:topol.top)   Tsjerk Wassenaar
• [gmx-users] Error in MD   Dhananjay joshi
  • [gmx-users] Error in MD   Tsjerk Wassenaar
  • [gmx-users] Error in MD   Mark Abraham
    • [gmx-users] Error in MD   Tsjerk Wassenaar
      • [gmx-users] Error in MD   Mark Abraham
• [gmx-users] Zn problem   hnam
• [gmx-users] pdb2gmx   Pradeep Kota
  • [gmx-users] pdb2gmx   Per Larsson
    • [gmx-users] pdb2gmx   Pradeep Kota
      • [gmx-users] pdb2gmx   Uwe Richter
      • [gmx-users] pdb2gmx   Alan Dodd
      • [gmx-users] pdb2gmx   Chris Gaughan
      • [gmx-users] pdb2gmx   Pradeep Kota
• [gmx-users] Mixed solvents   luigi.burgi at virgilio.it
  • [gmx-users] trjconv -split gives null_0_null files ...   andrea spitaleri
• [gmx-users] trjconv -split gives null_0_null files ...   andrea spitaleri
  • [gmx-users] trjconv -split gives null_0_null files ...   David van der Spoel
• [gmx-users] grompp with cg does have problem!   Samuel Silva Pita
  • [gmx-users] grompp with cg does have problem!   Mark Abraham
    • [gmx-users] grompp with cg does have problem!   David Mobley
      • [gmx-users] grompp with cg does have problem!   Mark Abraham
      • [gmx-users] grompp with cg does have problem!   David Mobley
      • [gmx-users] grompp with cg does have problem!   Mark Abraham
      • [gmx-users] grompp with cg does have problem!   Erik Lindahl
      • [gmx-users] grompp with cg does have problem!   David Mobley
• [gmx-users] problem running gromacs v3.3 on SGE cluster?   Cameron Mura
  • [gmx-users] problem running gromacs v3.3 on SGE cluster?   Lubos Vrbka
• [gmx-users] xpm   Jozef Hritz
  • [gmx-users] xpm   David van der Spoel
  • [gmx-users] g_hbond -sel   Jozef Hritz
    • [gmx-users] g_hbond -sel   David van der Spoel
• [gmx-users] Normal Modes   jjvc
  • [gmx-users] Normal Modes   Erik Lindahl
• [gmx-users] trjconv -split gives null_0_null files ...   spitaleri.andrea at hsr.it
  • [gmx-users] trjconv -split gives null_0_null files ...   David van der Spoel
    • [gmx-users] trjconv -split gives null_0_null files ...   Berk Hess
      • [gmx-users] trjconv -split gives null_0_null files ...   andrea spitaleri
      • [gmx-users] trjconv -split gives null_0_null files ...   Berk Hess
      • [gmx-users] trjconv -split gives null_0_null files ...   andrea spitaleri
      • [gmx-users] trjconv -split gives null_0_null files ...   Berk Hess
• [gmx-users] automated analysis   Anthony Cruz
  • [gmx-users] automated analysis   David van der Spoel
    • [gmx-users] automated analysis   Anthony Cruz
      • [gmx-users] automated analysis   Leonardo Sepulveda Durán
      • [gmx-users] automated analysis   Anthony Cruz
      • [gmx-users] automated analysis   Yang Ye
      • [gmx-users] automated analysis   Oliver Beckstein
      • [gmx-users] automated analysis   Florian Haberl
      • [gmx-users] automated analysis   paloureiro at biof.ufrj.br
• [gmx-users] Mixed solvents   Dallas B. Warren
  • [gmx-users] Mixed solvents   Daan van Aalten
• [gmx-users] trjconv   mprabha at fiu.edu
• [gmx-users] trjconv   Dallas B. Warren
• [gmx-users] Definition of "polarization"   Yinghong
  • [gmx-users] Definition of "polarization"   David van der Spoel
  • [gmx-users] Definition of "polarization"   Omololu Akin-Ojo
• [gmx-users] Fatal Error in grompp   cseager at ucla.edu
• [gmx-users] Simulation not running, system exploding.   Fernando Mattio
  • [gmx-users] Simulation not running, system exploding.   Alan Dodd
• [gmx-users] How to set the charge of zn and cys!   Mikko Hellgren
  • [gmx-users] How to set the charge of zn and cys!   Maik Goette
• [gmx-users] RE: grompp with cg   Rongliang Wu
  • [gmx-users] RE: grompp with cg   Marcos Villarreal
• [gmx-users] Minimization problem, again!   liu xin
  • [gmx-users] Minimization problem, again!   andrea spitaleri
    • [gmx-users] Minimization problem, again!   liu xin
      • [gmx-users] Minimization problem, again!   andrea spitaleri
      • [gmx-users] Minimization problem, again!   Viswanadham Sridhara
      • [gmx-users] Minimization problem, again!   liu xin
      • [gmx-users] Minimization problem, again!   andrea spitaleri
• [gmx-users] Freezing group doubt!   Rahul Karyappa
• [gmx-users] Molecular Dynamics in a methane box   Nunez, Sara
  • [gmx-users] Molecular Dynamics in a methane box   David van der Spoel
• [gmx-users] Problem Running GROMACS as a User   Stephen P. Molnar, Ph.D.
  • [gmx-users] Problem Running GROMACS as a User   Florian Haberl
• [gmx-users] g_angle - fraction of trans dihedrals   Repakova Jarmila
• [gmx-users] genbox -shell   Dongsheng Zhang
  • [gmx-users] genbox -shell   David van der Spoel
• [gmx-users] Inclusion chemistry again   Robson Honorato
• [gmx-users] To David van der Spoel about " Modeling of enzyme-substrate complexes for the metalloproteases MMP-3, ADAM-9 and ADAM-10 "   Иванов Миша
• [gmx-users] Re: Definition of "polarization"   Yinghong
  • [gmx-users] Re: Definition of "polarization"   David van der Spoel
• [gmx-users] problem calculating PMF with distant constraints   rzangi at att.net
  • [gmx-users] problem calculating PMF with distant constraints   David van der Spoel
• [gmx-users] Re: genbox -shell   Dongsheng Zhang
  • [gmx-users] Re: genbox -shell   David van der Spoel
• [gmx-users] problem calculating PMF with distant constraints   rzangi at att.net
  • [gmx-users] problem calculating PMF with distant constraints   David van der Spoel
• [gmx-users] Re. genbox -shell   Dongsheng Zhang
  • [gmx-users] Re. genbox -shell   David van der Spoel
  • [gmx-users] Re. genbox -shell   Mark Abraham
    • [gmx-users] Re. genbox -shell   David van der Spoel
• [gmx-users] Problem with dynamics using ENDADS and CVS GMX version   Leonardo Sepulveda Durán
  • [gmx-users] Problem with dynamics using ENDADS and CVS GMX version   David van der Spoel
    • [gmx-users] Problem with dynamics using ENDADS and CVS GMX version   Leonardo Sepulveda Durán
      • [gmx-users] Problem with dynamics using ENDADS and CVS GMX version   Yang Ye
      • [gmx-users] Problem with dynamics using ENDADS and CVS GMX version   Leonardo Sepulveda Durán
• [gmx-users] Bob Arenburg/Austin/IBM is out of the office.   Bob Arenburg
• [gmx-users] position restrain problem   Anthony Cruz
  • [gmx-users] position restrain problem   Yang Ye
• [gmx-users] Range Checking Error on EM   Morgan Fairweather
• [gmx-users] problem calculating PMF with distant constraints   rzangi at att.net
  • [gmx-users] problem calculating PMF with distant constraints   David van der Spoel
  • [gmx-users] problem calculating PMF with distant constraints   Berk Hess
    • [gmx-users] problem calculating PMF with distant constraints   David van der Spoel
      • [gmx-users] problem calculating PMF with distant constraints   Berk Hess
• [gmx-users] Re: Re: Definition of "polarization"   Yinghong
  • [gmx-users] Re: Re: Definition of "polarization"   David van der Spoel
• [gmx-users] re: genbox -shell   Dongsheng Zhang
  • [gmx-users] re: genbox -shell   David van der Spoel
• [gmx-users] apply PBC in protein/bilayer system   chiloo Laohpongspaisan
• [gmx-users] RE: RE :Re: grompp with cg does have problem!   Rongliang Wu
• [gmx-users] clear orientation during MD   Rongliang Wu
  • [gmx-users] clear orientation during MD   David van der Spoel
• [gmx-users] converting files gro to xyz   Robson Honorato
  • [gmx-users] converting files gro to xyz   Florian Haberl
• [gmx-users] RE:Re: clear orientation during MD (David van der Spoel)   Rongliang Wu
  • [gmx-users] RE:Re: clear orientation during MD (David van der Spoel)   David van der Spoel
• [gmx-users] mutated structure   Tamas Horvath
  • [gmx-users] mutated structure   Ran Friedman
    • [gmx-users] mutated structure   Tamas Horvath
• [gmx-users] minimization error in gromacs3.3   jjvc
  • [gmx-users] minimization error in gromacs3.3   David van der Spoel
    • [gmx-users] minimization error in gromacs3.3   jjvc
• R: RE: [gmx-users] Mixed solvents   luigi.burgi at virgilio.it
• [gmx-users] problem calculating PMF with distant constraints   rzangi at att.net
  • [gmx-users] problem calculating PMF with distant constraints   Berk Hess
• [gmx-users] Compilation options   Stéphane Teletchéa
  • [gmx-users] Compilation options   David van der Spoel
  • [gmx-users] Compilation options   leafyoung81-group at yahoo.com
• [gmx-users] What is best   Stéphane Teletchéa
  • [gmx-users] What is best   David van der Spoel
• [gmx-users] Iodine in ligand   berka at natur.cuni.cz
  • [gmx-users] Iodine in ligand   Mark Abraham
• [gmx-users] S(q) and polymer MD ?!?!   Luciano Costa
• [gmx-users] Re: Re: Re: Definition of "polarization"   Yinghong
  • [gmx-users] Re: Re: Re: Definition of "polarization"   David van der Spoel
• [gmx-users] mpich parallel system errors   Rongliang Wu
  • [gmx-users] mpich parallel system errors   Mark Abraham
  • [gmx-users] mpich parallel system errors   Lubos Vrbka
    • [gmx-users] mpich parallel system errors   Yang Ye
• [gmx-users] a question about pepetide chains interaction   Wang Zhun
  • [gmx-users] a question about pepetide chains interaction   leafyoung81-group at yahoo.com
• [gmx-users] help!   zjh2140 at 163.com
• [gmx-users] a question about pepetide chains interaction   Wang Zhun
  • [gmx-users] a question about pepetide chains interaction   David van der Spoel
• [gmx-users] mdrun error!   Rahul Karyappa
  • [gmx-users] mdrun error!   David van der Spoel
• [gmx-users] Zn problem   hnam
  • [gmx-users] Zn problem   David van der Spoel
    • [gmx-users] Zn problem   hnam
      • [gmx-users] Zn problem   David van der Spoel
      • [gmx-users] Zn problem   Xavier Periole
      • [gmx-users] Zn problem   Maik Goette
• [gmx-users] mpich parallel system errors   Rongliang Wu
  • [gmx-users] mpich parallel system errors   David van der Spoel
    • [gmx-users] mpich parallel system errors   Carsten Kutzner
  • [gmx-users] mpich parallel system errors   leafyoung81-group at yahoo.com
• [gmx-users] possible PRODRG sever error   Rongliang Wu
• [gmx-users] RMSD   Taeho Kim
  • [gmx-users] RMSD   Mark Abraham
• [gmx-users] [Fwd: Regarding Zn problem]   David van der Spoel
  • [gmx-users] [Fwd: Regarding Zn problem]   David van der Spoel
• [gmx-users] RMSD plot   Dhananjay
  • [gmx-users] RMSD plot   X.Periole
  • [gmx-users] RMSD plot   leafyoung81-group at yahoo.com
• [gmx-users] gen_temp question   Anthony Cruz
• [gmx-users] NADP in ffG43a1.rtp   Satyan Sharma
  • [gmx-users] NADP in ffG43a1.rtp   David van der Spoel
    • [gmx-users] NADP in ffG43a1.rtp   Christian Burisch
• [gmx-users] Position Restrain Problem   Anthony Cruz
  • [gmx-users] Position Restrain Problem   Andrea C. Vaiana
    • [gmx-users] Position Restrain Problem   Anthony Cruz
• [gmx-users] Range Checking Error   Morgan Fairweather
  • [gmx-users] Range Checking Error   David van der Spoel
• [gmx-users] David, doubt about the definition of polarization.   Yinghong
  • [gmx-users] David, doubt about the definition of polarization.   David van der Spoel
• [gmx-users] compilation error in gmx_sgangle.c: 313 with pg on opteron   Claudio J. Margulis
  • [gmx-users] compilation error in gmx_sgangle.c: 313 with pg on opteron   leafyoung81-group at yahoo.com
  • [gmx-users] compilation error in gmx_sgangle.c: 313 with pg on opteron   David van der Spoel
• [gmx-users] Re: David, doubt about the definition of polarization.   Yinghong
  • [gmx-users] Re: David, doubt about the definition of polarization.   David van der Spoel
    • [gmx-users] Re: David, doubt about the definition of polarization.   David van der Spoel
• [gmx-users] Re: Re: David, doubt about the definition of polarization.   Yinghong
  • [gmx-users] Re: Re: David, doubt about the definition of polarization.   David van der Spoel
• [gmx-users] error building fftw on itanium, intel 7 compilers   Joanne Hanna
• [gmx-users] still change after equilibriated   Rongliang Wu
  • [gmx-users] still change after equilibriated   Chris Gaughan
  • [gmx-users] still change after equilibriated   Yang Ye
    • [gmx-users] still change after equilibriated   Erik Lindahl
• [gmx-users] trjconv issues   Michael Bajomo
  • [gmx-users] trjconv issues   David Mobley
  • [gmx-users] trjconv issues   Yang Ye
    • [gmx-users] trjconv issues   Tsjerk Wassenaar
• [gmx-users] genion   Tamas Horvath
  • [gmx-users] genion   Tsjerk Wassenaar
    • [gmx-users] genion   Tamas Horvath
      • [gmx-users] genion   Florian Haberl
      • [gmx-users] genion   Tamas Horvath
      • [gmx-users] genion   Alan Dodd
      • [gmx-users] genion   Tamas Horvath
      • [gmx-users] genion   Tamas Horvath
      • [gmx-users] genion   Mark Abraham
      • [gmx-users] genion   Tamas Horvath
      • [gmx-users] genion   Florian Haberl
      • [gmx-users] genion   Tamas Horvath
      • [gmx-users] genion   Mark Abraham
      • [gmx-users] genion   Tamas Horvath
      • [gmx-users] genion   Christian Burisch
      • [gmx-users] genion   Tamas Horvath
      • [gmx-users] genion   Tamas Horvath
      • [gmx-users] genion   paloureiro at biof.ufrj.br
      • [gmx-users] genion   Tamas Horvath
• [gmx-users] problems installing and running gromacs with 64bit suse linux 9.2   hayden
  • [gmx-users] problems installing and running gromacs with 64bit suse linux 9.2   Florian Haberl
  • [gmx-users] problems installing and running gromacs with 64bit suse linux 9.2   Mark Abraham
• [gmx-users] RMSD and RMSF   Anthony Cruz
  • [gmx-users] RMSD and RMSF   Mark Abraham
    • [gmx-users] NMR distance constraint using gromacs   Mahalakshmi S
• [gmx-users] Re: Re: Re: David, doubt about the definition of polarization.   Yinghong
• [gmx-users] Re: Re: Re: David, doubt about the definition of polarization.   Yinghong
  • [gmx-users] Re: Re: Re: David, doubt about the definition of polarization.   David van der Spoel
• [gmx-users] Range Checking Error   Morgan Fairweather
  • [gmx-users] Range Checking Error   David van der Spoel
• [gmx-users] Re: Re: Re: Re: David, doubt about the definition of polarization.   Yinghong
  • [gmx-users] Re: Re: Re: Re: David, doubt about the definition of polarization.   David van der Spoel
• [gmx-users] the force field in GMX   主月 ：）
• [gmx-users] the force field in GMX(further)   主月 ：）
  • [gmx-users] the force field in GMX(further)   David van der Spoel
• [gmx-users] surface tension coupling   Rongliang Wu
  • [gmx-users] surface tension coupling   Erik Lindahl
• [gmx-users] Re: Re: Need favour   Derrick Guang Yuh Lee
• [gmx-users] Mac Installation   Simon Holton
  • [gmx-users] Mac Installation   David van der Spoel
• [gmx-users] adding new atoms in .itp file   Viswanadham Sridhara
  • [gmx-users] adding new atoms in .itp file   David van der Spoel
    • [gmx-users] adding new atoms in .itp file   Viswanadham Sridhara
      • [gmx-users] adding new atoms in .itp file   David van der Spoel
      • [gmx-users] adding new atoms in .itp file   Viswanadham Sridhara
      • [gmx-users] adding new atoms in .itp file   Viswanadham Sridhara
      • [gmx-users] adding new atoms in .itp file   David van der Spoel
      • [gmx-users] adding new atoms in .itp file   Viswanadham Sridhara
      • [gmx-users] adding new atoms in .itp file   David van der Spoel
      • [gmx-users] adding new atoms in .itp file   David van der Spoel
• [gmx-users] surface tension coupling   Rongliang Wu
  • [gmx-users] surface tension coupling   David van der Spoel
• [gmx-users]   Junfang.Zhang at csiro.au
  • [gmx-users]   Yang Ye
• [gmx-users] The force unit in the gromacs   齐文鹏
  • [gmx-users] The force unit in the gromacs   David van der Spoel
• [gmx-users] [Fwd: Zn and rtp]   David van der Spoel
• [gmx-users] Which is the real function used in computation?   主月 ：）
  • [gmx-users] Which is the real function used in computation?   Erik Lindahl
• [gmx-users] Which force field is fit current simulation?   主月 ：）
  • [gmx-users] Which force field is fit current simulation?   Erik Lindahl
• [gmx-users] how can i choose combination rules in Lennard-Jones interaction   主月 ：）
  • [gmx-users] how can i choose combination rules in Lennard-Jones interaction   Erik Lindahl
• [gmx-users] Zn problem   hnam
  • [gmx-users] Zn problem   David van der Spoel
  • [gmx-users] Zn problem   Maik Goette
• [gmx-users] (no subject)   Naser, Md Abu
  • [gmx-users] (no subject)   David van der Spoel
    • [gmx-users] (no subject)   Naser, Md Abu
      • [gmx-users] (no subject)   David van der Spoel
• [gmx-users] Where will the problem be?   qiwenpeng at sinap.ac.cn
  • [gmx-users] Where will the problem be?   David van der Spoel
    • [gmx-users] Where will the problem be?   qiwenpeng at sinap.ac.cn
      • [gmx-users] Where will the problem be?   David van der Spoel
      • [gmx-users] Where will the problem be?   qiwenpeng at sinap.ac.cn
      • [gmx-users] Where will the problem be?   David van der Spoel
      • [gmx-users] Where will the problem be?   qiwenpeng at sinap.ac.cn
      • [gmx-users] Different temperature   Andrea Carotti
      • [gmx-users] Different temperature   Mark Abraham
      • [gmx-users] Different temperature   Andrea Carotti
      • [gmx-users] Different temperature   Mark Abraham
      • [gmx-users] Different temperature   David van der Spoel
      • [gmx-users] Different temperature   Andrea Carotti
      • [gmx-users] Different temperature   David van der Spoel
      • [gmx-users] Different temperature   Andrea Carotti
• [gmx-users] Fw: Where will the problem be?   qiwenpeng at sinap.ac.cn
• [gmx-users]Thanks!   Junfang.Zhang at csiro.au
• [gmx-users] genbox job killed   Wang Zhun
  • [gmx-users] genbox job killed   David van der Spoel
  • [gmx-users] genbox job killed   David Mobley
• [gmx-users] surface tension coupling   Rongliang Wu
  • [gmx-users] surface tension coupling   David van der Spoel
• [gmx-users] Minimization question   tprakci at ttnet.net.tr
  • [gmx-users] Minimization question   Alan Dodd
    • [gmx-users] Minimization question   Florian Haberl
• [gmx-users] Concentration   luigi.burgi at virgilio.it
• [gmx-users] Concentration   Mu Yuguang (Dr)
• [gmx-users] Minimization problem   tprakci at ttnet.net.tr
• R: RE: [gmx-users] Concentration   luigi.burgi at virgilio.it
• [gmx-users] Minimization question/problem   tprakci at ttnet.net.tr
  • [gmx-users] Minimization question/problem   Mark Abraham
• [gmx-users] Minimization question/problem   tprakci at ttnet.net.tr
• [gmx-users] Minimization question/problem   tprakci at ttnet.net.tr
• [gmx-users] solvation question regarding waters where they shouldn't be   David Mobley
• [gmx-users] using charmm force fields with gmx v3.3   dimka
  • [gmx-users] using charmm force fields with gmx v3.3   leafyoung81-group at yahoo.com
• [gmx-users] using charmm force fields with gmx v3.3   Mu Yuguang (Dr)
• [gmx-users] [Fwd: Na.itp problem]   David van der Spoel
  • [gmx-users] [Fwd: Na.itp problem]   leafyoung81-group at yahoo.com
• [gmx-users] pdb2gmx on KcsA   Kaasi Sridhara
  • [gmx-users] pdb2gmx on KcsA   Tsjerk Wassenaar
  • [gmx-users] pdb2gmx on KcsA   Mark Abraham
• [gmx-users] editconf question   Wang Zhun
  • [gmx-users] editconf question   Tsjerk Wassenaar
• [gmx-users] [Fwd: "ref_t and tau_t values" problem]   David van der Spoel
  • [gmx-users] [Fwd: "ref_t and tau_t values" problem]   Itamar Kass
    • [gmx-users] [Fwd: "ref_t and tau_t values" problem]   Tsjerk Wassenaar
    • [gmx-users] [Fwd: "ref_t and tau_t values" problem]   Yang Ye
• [gmx-users] minimization error   Rongliang Wu
• [gmx-users] how to modify non-bonded parameters   主月 ：）
• [gmx-users] pdb2gmx - generating hydrogens   Vladimir Nesterov
  • [gmx-users] pdb2gmx - generating hydrogens   David van der Spoel
• [gmx-users] RMSD Calculation   Alper Kucukural
  • [gmx-users] RMSD Calculation   David van der Spoel
    • [gmx-users] RMSD Calculation   Alper Kucukural
      • [gmx-users] RMSD Calculation   David van der Spoel
      • [gmx-users] RMSD Calculation   Иванов Миша
      • [gmx-users] RMSD Calculation   Alper Kucukural
• [gmx-users] modify non-bonded parameters   主月 ：）
  • [gmx-users] modify non-bonded parameters   Yang Ye
• [gmx-users] Re :minimization error   Rongliang Wu
• [gmx-users] [Fwd: "ref_t and tau_t values" problem]   Rongliang Wu
  • [gmx-users] [Fwd: "ref_t and tau_t values" problem]   Tsjerk Wassenaar
• [gmx-users] [Fwd: "ref_t and tau_t values" problem]   Rongliang Wu
• [gmx-users] combination for LJ   主月 ：）
• [gmx-users] Indx file making   hnam
  • [gmx-users] Indx file making   Yang Ye
  • [gmx-users] Indx file making   Itamar Kass
    • [gmx-users] Indx file making   Tsjerk Wassenaar
• [gmx-users] atom-atom force calculation   Sebastian Fernandez Alberti
• [gmx-users] parallel runs with lam   Lubos Vrbka
  • [gmx-users] parallel runs with lam   David van der Spoel
    • [gmx-users] parallel runs with lam   Lubos Vrbka
      • [gmx-users] parallel runs with lam   David van der Spoel
      • [gmx-users] parallel runs with lam   Lubos Vrbka
• [gmx-users] REMD and mpi   pascal.baillod at epfl.ch
  • [gmx-users] REMD and mpi   David van der Spoel
  • [gmx-users] REMD and mpi   Mark Abraham
• [gmx-users] Coredump when using PME   Robert Bjornson
  • [gmx-users] Coredump when using PME   David van der Spoel
• [Fwd: Re: [gmx-users] Coredump when using PME]   David van der Spoel
  • [Fwd: Re: [gmx-users] Coredump when using PME]   David van der Spoel
• [gmx-users] installation   Rongliang Wu
  • [gmx-users] installation   David van der Spoel
• [gmx-users] Installation problem   Dhananjay
  • [gmx-users] Installation problem   Mark Abraham
  • [gmx-users] Installation problem   David van der Spoel
    • [gmx-users] Installation problem   Dhananjay
      • [gmx-users] Installation problem   David van der Spoel
      • [gmx-users] Installation problem   Dhananjay
      • [gmx-users] Installation problem   Dhananjay
      • [gmx-users] Installation problem   Florian Haberl
      • [gmx-users] Installation problem   Dhananjay
      • [gmx-users] Installation problem   David van der Spoel
      • [gmx-users] Installation problem   Florian Haberl
      • [gmx-users] Installation problem   Dhananjay
      • [gmx-users] Installation problem   Florian Haberl
      • [gmx-users] Installation problem   Dhananjay
• [gmx-users] computing REMD swap proba   pascal.baillod at epfl.ch
  • [gmx-users] computing REMD swap proba   David van der Spoel
• [gmx-users] pdb2gmx on KcsA   Kaasi Sridhara
  • [gmx-users] pdb2gmx on KcsA   David Mobley
  • [gmx-users] pdb2gmx on KcsA   Daan van Aalten
• [gmx-users] request for future tools   David Mobley
  • [gmx-users] request for future tools   Mark Abraham
    • [gmx-users] request for future tools   David van der Spoel
      • [gmx-users] request for future tools   David van der Spoel
      • [gmx-users] request for future tools   David Mobley
• [gmx-users] installation problems about mpich_gm_intel   Rongliang Wu
  • [gmx-users] installation problems about mpich_gm_intel   David van der Spoel
• [gmx-users] problem with g_velacc   Viswanadham Sridhara
  • [gmx-users] Fwd: problem with g_velacc   Viswanadham Sridhara
• [gmx-users] getting velocities without re-running   Viswanadham Sridhara
  • [gmx-users] getting velocities without re-running   David van der Spoel
• [gmx-users] grompp error!   Rahul Karyappa
  • [gmx-users] grompp error!   Florian Haberl
• [gmx-users] error: moleculetype not found!   Rahul Karyappa
• [gmx-users] grompp error!   Wang Zhun
  • [gmx-users] grompp error!   Rahul Karyappa
• [gmx-users] Simulating infinite polymer crystal structure   Malin Bergenstråhle
  • [gmx-users] Simulating infinite polymer crystal structure   David Mobley
• [gmx-users] Announcement of a new web-server for structure-based analysis of protein dynamics   wenjun zheng
• [gmx-users] position restraints   Michal Kolinski
  • [gmx-users] position restraints   David Mobley
  • [gmx-users] position restraints   David van der Spoel
• [gmx-users] Simulating infinite polymer crystal structure   Malin Bergenstråhle
  • [gmx-users] Simulating infinite polymer crystal structure   David van der Spoel
• [gmx-users] gmx-users Digest, Vol 20, Issue 33: OPLS params   Ian Thorpe
• [gmx-users] RTP file format   dimka
  • [gmx-users] RTP file format   Mark Abraham
  • [gmx-users] RTP file format   David van der Spoel
• [gmx-users] request for future tools   Jian Zou
  • [gmx-users] request for future tools   David van der Spoel
• [gmx-users] Fatal error : pdb2gmx   poor nima
  • [gmx-users] Fatal error : pdb2gmx   David van der Spoel
    • [gmx-users] Fatal error : pdb2gmx   poor nima
    • [gmx-users] Fatal error : pdb2gmx   poor nima
• [gmx-users] re Fatal error : pdb2gmx   主月 ：）
  • [gmx-users] Re: Fatal error : pdb2gmx   poor nima
• [gmx-users] request for future tools   Jian Zou
• [gmx-users] position restraints   Michal Kolinski
  • [gmx-users] position restraints   David van der Spoel

Last message date: Fri Dec 30 12:44:25 CET 2005
Archived on: Thu Nov 14 12:02:31 CET 2013

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