December 2005 Archives by date

Messages sorted by: [ thread ] [ subject ] [ author ]
More info on this list...

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

Messages sorted by: [ thread ] [ subject ] [ author ]
More info on this list...

This archive was generated by Pipermail 0.09 (Mailman edition).