January 2006 Archives by thread

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Starting: Sun Jan 1 20:01:08 CET 2006
Ending: Tue Jan 31 23:51:36 CET 2006
Messages: 492

• [gmx-users] temp and press coupling   maria papadopoulou
  • [gmx-users] temp and press coupling   David Mobley
• [gmx-users] Re: FAD co-factor minimizaiton   Anton Feenstra
• [gmx-users] coarse grain lipid and protein   John Simms
  • [gmx-users] coarse grain lipid and protein   Erik Lindahl
  • [gmx-users] coarse grain lipid and protein   Xavier Periole
• [gmx-users] Pressure and compressibility   Janne Hirvi
• [gmx-users]Contradictory found on page 125/134 of manual-3.2.pdf   Junfang.Zhang at csiro.au
• [gmx-users] How to set the reference point!   chiloo Laohpongspaisan
• [gmx-users] Installation   Dhananjay
  • [gmx-users] Installation   Mark Abraham
  • [gmx-users] Installation   Itamar Kass
• [gmx-users] Gromacs on SGI Altix   Mingfeng Yang
  • [gmx-users] Gromacs on SGI Altix   Florian Haberl
    • [gmx-users] Gromacs on SGI Altix   David van der Spoel
      • [gmx-users] Gromacs on SGI Altix   Mingfeng Yang
    • [gmx-users] Gromacs on SGI Altix   Mingfeng Yang
      • [gmx-users] Gromacs on SGI Altix   Erik Lindahl
      • [gmx-users] Gromacs on SGI Altix   Mingfeng Yang
      • [gmx-users] Gromacs on SGI Altix   Mark Abraham
• [gmx-users] Inserting water to active site   hnam
  • [gmx-users] Inserting water to active site   Itamar Kass
• [gmx-users] Problem to run more than 2 NPT REMD replicas   pascal.baillod at epfl.ch
  • [gmx-users] Problem to run more than 2 NPT REMD replicas   David van der Spoel
• [gmx-users] OPLS to gromos96 problems   Ken Rotondi
  • [gmx-users] OPLS to gromos96 problems   Magnus Andersson
    • [gmx-users] OPLS to gromos96 problems   Ken Rotondi
      • [gmx-users] OPLS to gromos96 problems   Magnus Andersson
• [gmx-users] implicit solvent   Mingfeng Yang
• [gmx-users] freeze groups log file runaway   David Mobley
  • [gmx-users] freeze groups log file runaway   David van der Spoel
    • [gmx-users] freeze groups log file runaway   David Mobley
• [gmx-users] RE: Gromacs/user defined functions   Junfang.Zhang at csiro.au
  • [gmx-users] RE: Gromacs/user defined functions   David van der Spoel
• [gmx-users] (no subject)   shailza singh
• [gmx-users] Table.xvg   Junfang.Zhang at csiro.au
  • [gmx-users] Table.xvg   leafyoung81-group at yahoo.com
  • [gmx-users] Table.xvg   Mark Abraham
• [gmx-users] couple several systems   Rongliang Wu
  • [gmx-users] couple several systems   Florian Haberl
• [gmx-users]Thanks!   Yang Ye
• [gmx-users] Problem to run more than 2 NPT REMD replicas - 4   pascal.baillod at epfl.ch
  • [gmx-users] Problem to run more than 2 NPT REMD replicas - 4   David van der Spoel
• [gmx-users] Mac Installation   Simon Holton
• [gmx-users] initial configuration of ionic liquid systems   Roman Holomb
• [gmx-users] Parallel run   Dhananjay
  • [gmx-users] Parallel run   Carsten Kutzner
    • [gmx-users] Parallel run   Dhananjay
      • [gmx-users] Parallel run   Mark Abraham
  • [gmx-users] Parallel run   David van der Spoel
• [gmx-users] Should I keep the total charge unchanged?   Mikko Hellgren
  • [gmx-users] Should I keep the total charge unchanged?   David Mobley
    • [gmx-users] Should I keep the total charge unchanged?   Mikko Hellgren
• [gmx-users] center of mass motion   herbst at fhi-berlin.mpg.de
  • [gmx-users] center of mass motion   Florian Haberl
    • [gmx-users] center of mass motion   leafyoung81-group at yahoo.com
      • [gmx-users] center of mass motion   herbst at fhi-berlin.mpg.de
      • [gmx-users] center of mass motion   leafyoung81-group at yahoo.com
      • [gmx-users] center of mass motion   Tsjerk Wassenaar
    • [gmx-users] center of mass motion   herbst at fhi-berlin.mpg.de
• [gmx-users] mdrun problem   hnam
  • [gmx-users] mdrun problem   leafyoung81-group at yahoo.com
• [gmx-users] xtc, rmsd   Michal Kolinski
  • [gmx-users] xtc, rmsd   David van der Spoel
• [gmx-users] Problem to run more than 2 NPT REMD replicas - bug??   pascal.baillod at epfl.ch
• [gmx-users] 3.2.1 vs 3.3   Jon
  • [gmx-users] 3.2.1 vs 3.3   David Mobley
• [gmx-users] Dump with trjconv - periodic coordinates   Malin Bergenstråhle
  • [gmx-users] Dump with trjconv - periodic coordinates   leafyoung81-group at yahoo.com
• [gmx-users] Dummy particle   Junfang.Zhang at csiro.au
• [gmx-users] 3.2.1 vs 3.3   Jon Ellis
• [gmx-users] coordinate file for TFE   Dilraj Lama
  • [gmx-users] coordinate file for TFE   David van der Spoel
    • [gmx-users] coordinate file for TFE   Dilraj Lama
      • [gmx-users] coordinate file for TFE   David van der Spoel
• [gmx-users] Re: coarse grain lipid and protein   John Simms
• [gmx-users] Newbie question   Nataraj B (R&D-Biotech)
• [gmx-users] Computing prot pot ener in the gmx code   pascal.baillod at epfl.ch
  • [gmx-users] Computing prot pot ener in the gmx code   David van der Spoel
• [gmx-users] RE:initial configuration of ionic liquid systems   Luciano Costa
  • [gmx-users] RE:initial configuration of ionic liquid systems   cesar
• [gmx-users] Conbination rule   leafyoung81-group at yahoo.com
• [gmx-users] gromacs 3.3 build on x86_64   Reinh.Bader at t-online.de
  • [gmx-users] gromacs 3.3 build on x86_64   Erik Lindahl
• [gmx-users] Velocity Auto-Correlation Function   Viswanadham Sridhara
  • [gmx-users] Re: Velocity Auto-Correlation Function   Viswanadham Sridhara
    • [gmx-users] Re: Velocity Auto-Correlation Function   David van der Spoel
• [gmx-users] MD run error   Mahalakshmi S
  • [gmx-users] MD run error   leafyoung81-group at yahoo.com
  • [gmx-users] MD run error   David van der Spoel
• [gmx-users] Problem with gromacs-3.3 using PME   Robert Bjornson
  • [gmx-users] Problem with gromacs-3.3 using PME   Hector Mtz-Seara
    • [gmx-users] Problem with gromacs-3.3 using PME   Robert Bjornson
• [gmx-users] need help with free energy of solvation calculation   Moore, Jonathan (J)
  • [gmx-users] need help with free energy of solvation calculation   David Mobley
• [gmx-users] constrained minimization   rob yang
  • [gmx-users] constrained minimization   David van der Spoel
    • [gmx-users] constrained minimization   rob yang
      • [gmx-users] constrained minimization   David Mobley
      • [gmx-users] constrained minimization   rob yang
      • [gmx-users] constrained minimization   David Mobley
      • [gmx-users] constrained minimization   rob yang
      • [gmx-users] (no subject)   rob yang
      • [gmx-users] (no subject)   David van der Spoel
      • [gmx-users] (no subject)   Erik Lindahl
      • [gmx-users] Re:gromos torsion param   rob yang
      • [gmx-users] Re:gromos torsion param   rob yang
    • [gmx-users] gromos forcefield   rob yang
• [gmx-users] mdrun parallel error   hnam
  • [gmx-users] mdrun parallel error   Yang Ye
• [gmx-users] Error showing for FE atom   Nataraj B (R&D-Biotech)
  • [gmx-users] Error showing for FE atom   David van der Spoel
• [gmx-users] g_wham to support 3 dimension?   Hwankyu Lee
  • [gmx-users] g_wham to support 3 dimension?   David van der Spoel
• [gmx-users] Problems with HExxH-Zn coodrination in OPLSA ff   Jorge Hernandez Fernandez
  • [gmx-users] Problems with HExxH-Zn coodrination in OPLSA ff   Maik Goette
• [gmx-users] Position restrained MD   Michael Bajomo
  • [gmx-users] Position restrained MD   X.Periole
• [gmx-users] assembly loops for multiple architectures   P K
  • [gmx-users] assembly loops for multiple architectures   Mark Abraham
  • [gmx-users] assembly loops for multiple architectures   leafyoung81-group at yahoo.com
  • [gmx-users] assembly loops for multiple architectures   David van der Spoel
• [gmx-users] Problem with gromacs-3.3 using PME   Rongliang Wu
  • [gmx-users] Problem with gromacs-3.3 using PME   leafyoung81-group at yahoo.com
• [gmx-users] [Fwd: [SPAM] Ask for help of using Gromacs]   David van der Spoel
• [gmx-users] Re: gromacs and autodock   Joanne Hanna
  • [gmx-users] Re: gromacs and autodock   David van der Spoel
    • [gmx-users] Re: gromacs and autodock   MGiò
• [gmx-users] extract certain structure from trajectory   Rongliang Wu
  • [gmx-users] extract certain structure from trajectory   Mark Abraham
  • [gmx-users] extract certain structure from trajectory   Viswanadham Sridhara
• [gmx-users] writing output   Adriana Pietropaolo
  • [gmx-users] writing output   leafyoung81-group at yahoo.com
    • [gmx-users] writing output   Adriana Pietropaolo
      • [gmx-users] writing output   David van der Spoel
      • [gmx-users] writing output   Adriana Pietropaolo
      • [gmx-users] writing output   Yang Ye
      • [gmx-users] writing output   Adriana Pietropaolo
• [gmx-users] Re: gromacs and autodock   Joanne Hanna
  • [gmx-users] Re: gromacs and autodock   MGiò
• [gmx-users] writing output   Naser, Md Abu
  • [gmx-users] writing output   Adriana Pietropaolo
• [gmx-users] gro to pdb   Dhananjay
  • [gmx-users] gro to pdb   Farid Sa'adedin
    • [gmx-users] Re: gro to pdb   Dhananjay
      • [gmx-users] Re: gro to pdb   David van der Spoel
      • [gmx-users] Re: gro to pdb   Viswanadham Sridhara
  • [gmx-users] gro to pdb   Marcus Kubitzki
  • [gmx-users] gro to pdb   Florian Haberl
• [gmx-users] Re: Computing prot pot ener in the gmx code   pascal.baillod at epfl.ch
  • [gmx-users] Re: Computing prot pot ener in the gmx code   David van der Spoel
• [gmx-users] Shuffle/Sort and FEP   Maik Goette
  • [gmx-users] Shuffle/Sort and FEP   David van der Spoel
• [gmx-users] FEP and error estimation   Maik Goette
  • [gmx-users] FEP and error estimation   David Mobley
    • [gmx-users] FEP and error estimation   Maik Goette
      • [gmx-users] FEP and error estimation   Tomas Kubar
      • [gmx-users] FEP and error estimation   David Mobley
• [gmx-users] vdwd option on genbox: Exactly what does it do?   David Mobley
  • [gmx-users] vdwd option on genbox: Exactly what does it do?   David van der Spoel
    • [gmx-users] vdwd option on genbox: Exactly what does it do?   David Mobley
• [gmx-users] Error showing for FE atom   Nataraj B (R&D-Biotech)
  • [gmx-users] Error showing for FE atom   Mark Abraham
• [gmx-users] polarizable pair potentials   Rongliang Wu
  • [gmx-users] polarizable pair potentials   David van der Spoel
• [gmx-users] PME scaling   Robert Bjornson
  • [gmx-users] PME scaling   Erik Lindahl
  • [gmx-users] PME scaling   David van der Spoel
    • [gmx-users] PME scaling   Erik Lindahl
      • [gmx-users] PME scaling   David van der Spoel
    • [gmx-users] PME scaling   Robert Bjornson
      • [gmx-users] PME scaling   Carsten Kutzner
• [gmx-users] extend md with tpbconv and sort/shuffle   spitaleri.andrea at hsr.it
  • [gmx-users] extend md with tpbconv and sort/shuffle   Yang Ye
• [gmx-users] need help with free energy of solvation calculati on   Moore, Jonathan (J)
  • [gmx-users] need help with free energy of solvation calculati on   David Mobley
• [gmx-users] replica analysis scripts   Andrea C. Vaiana
• [gmx-users] other gro file available?   Rongliang Wu
  • [gmx-users] other gro file available?   Anton Feenstra
    • [gmx-users] other gro file available?   Yang Ye
• [gmx-users] Energy minimization   Dhananjay
  • [gmx-users] Energy minimization   MGiò
  • [gmx-users] Energy minimization   Yang Ye
• [gmx-users] Gromacs runs with SGE and LAM-MPI   Stéphane Teletchéa
  • [gmx-users] processor time   Kay Gottschalk
• [gmx-users] shifting time   MGiò
  • [gmx-users] shifting time   Viswanadham Sridhara
• [gmx-users] make hole   nada taib
  • [gmx-users] make hole   Itamar Kass
• [gmx-users] Size of perturbed groups in FEP   Bruce Milne
  • [gmx-users] Size of perturbed groups in FEP   Maik Goette
  • [gmx-users] Size of perturbed groups in FEP   David Mobley
    • [gmx-users] Size of perturbed groups in FEP   Maik Goette
• [gmx-users] gmxcheck -ab   Moore, Jonathan (J)
  • [gmx-users] gmxcheck -ab   David van der Spoel
• [gmx-users] genbox/editconf   Junfang.Zhang at csiro.au
  • [gmx-users] genbox/editconf   Mark Abraham
  • [gmx-users] genbox/editconf   Yang Ye
• [gmx-users] genbox/editconf   Junfang.Zhang at csiro.au
  • [gmx-users] genbox/editconf   Mark Abraham
• [gmx-users] how to understand the sentence   nk yx
  • [gmx-users] how to understand the sentence   Mark Abraham
• [gmx-users] lateral and radial tilts question   Serge Yefimov
• [gmx-users] Re: FAD force field   Anton Feenstra
• [gmx-users] lateral and radial tilts question   Serge Yefimov
  • [gmx-users] lateral and radial tilts question   Berk Hess
• [gmx-users] Topolofy files   Roman Holomb
  • [gmx-users] Topolofy files   MGiò
• [gmx-users] difference between table and tablep?   Alexander Benedix
  • [gmx-users] difference between table and tablep?   David van der Spoel
• [gmx-users] replica exchange   Marc F. Lensink
  • [gmx-users] replica exchange   Mark Abraham
    • [gmx-users] replica exchange   Carsten Kutzner
      • [gmx-users] replica exchange   Andrea C. Vaiana
      • [gmx-users] replica exchange   David van der Spoel
      • [gmx-users] replica exchange   X.Periole
      • [gmx-users] replica exchange   Andrea C. Vaiana
      • [gmx-users] replica exchange   X.Periole
      • [gmx-users] replica exchange   David van der Spoel
• [gmx-users] shorten the .job output   herbst at fhi-berlin.mpg.de
  • [gmx-users] shorten the .job output   Mark Abraham
    • [gmx-users] shorten the .job output   David van der Spoel
      • [gmx-users] shorten the .job output   herbst at fhi-berlin.mpg.de
      • [gmx-users] shorten the .job output   David van der Spoel
    • [gmx-users] shorten the .job output   herbst at fhi-berlin.mpg.de
      • [gmx-users] shorten the .job output   Mark Abraham
• [gmx-users] Re: gmx-users Digest, Vol 21, Issue 33   Pim Schravendijk
• [gmx-users] REMD GROMACS   Anthony Cruz
• [gmx-users] strange temperature coupling problem   Nickle Fan
  • [gmx-users] strange temperature coupling problem   Simple
    • [gmx-users] strange temperature coupling problem   Mark Abraham
      • [gmx-users] strange temperature coupling problem   Nickle Fan
      • [gmx-users] strange temperature coupling problem   Mark Abraham
    • [gmx-users] strange temperature coupling problem   Nickle Fan
• [gmx-users] sw water problem   Rongliang Wu
• [gmx-users] coordinate file is mandatory?   Rongliang Wu
• [gmx-users] [Fwd: Reg configuration of GROMACS in cygwin]   David van der Spoel
  • [gmx-users] [Fwd: Reg configuration of GROMACS in cygwin]   leafyoung81-group at yahoo.com
• [gmx-users] the screen output   Rongliang Wu
  • [gmx-users] the screen output   Paul van Maaren
• [gmx-users] Re: Req for GROMACS config in cygwin   Nuno R. L. Ferreira
  • [gmx-users] Re: Req for GROMACS config in cygwin   Nuno R. L. Ferreira
• [gmx-users] Re: Re: Size of perturbed groups in FEP   Bruce Milne
  • [gmx-users] Re: Re: Size of perturbed groups in FEP   David Mobley
• [gmx-users] Re: Size of perturbed groups in FEP   Chris Oostenbrink
• [gmx-users] glycosylated residues   Lars Meinhold
• [gmx-users] force fields & Ryckaert-Bellemans torsional potential   dimka
• [gmx-users] RMSD in total energy   Janne Hirvi
  • [gmx-users] RMSD in total energy   David van der Spoel
• [gmx-users] Re: RMSD in total energy   Janne Hirvi
  • [gmx-users] Re: RMSD in total energy   David van der Spoel
• [gmx-users] genion error   Hiromichi Tsurui
  • [gmx-users] genion error   David van der Spoel
    • [gmx-users] genion error   Hiromichi Tsurui
• [gmx-users] Locally Enhanced Sampling   Alexandre Suman de Araujo
  • [gmx-users] Locally Enhanced Sampling   Ran Friedman
    • [gmx-users] Locally Enhanced Sampling   David van der Spoel
      • [gmx-users] Locally Enhanced Sampling   Ran Friedman
      • [gmx-users] Locally Enhanced Sampling   msonoda at iqm.unicamp.br
      • [gmx-users] Locally Enhanced Sampling   David van der Spoel
      • [gmx-users] Locally Enhanced Sampling   msonoda at iqm.unicamp.br
• [gmx-users] Re: Re: RMSD in total energy   Janne Hirvi
  • [gmx-users] Re: Re: RMSD in total energy   Yujie Wu
• [gmx-users] references on binding   Diego Vallejo
  • [gmx-users] references on binding   Ran Friedman
    • [gmx-users] genion error   bharat at sscu.iisc.ernet.in
      • [gmx-users] genion error   Yang Ye
      • [gmx-users] genion error   Hiromichi Tsurui
      • [gmx-users] genion error   Bharat V. Adkar P.hD Student
      • [gmx-users] genion error   Hiromichi Tsurui
      • [gmx-users] genion error   Yang Ye
      • [gmx-users] genion error   Hiromichi Tsurui
  • [gmx-users] references on binding   David Mobley
• [gmx-users] how to search the parameter file   lali.s
• [gmx-users] is there a error in manual?   sangyongliang99 at mails.tsinghua.edu.cn
  • [gmx-users] is there a error in manual?   David van der Spoel
• [gmx-users] altLoc   Tamas Horvath
  • [gmx-users] altLoc   David van der Spoel
    • [gmx-users] altLoc   Tamas Horvath
• [gmx-users] glycosylated residues   Lars Meinhold
  • [gmx-users] glycosylated residues   Maik Goette
    • [gmx-users] glycosylated residues   Christian Burisch
• [gmx-users] tilt angle   taveechai taveecharoenkool
• [gmx-users] Re: Updating to 3.3 version...   Absalom Zamorano
  • [gmx-users] Re: Updating to 3.3 version...   Yujie Wu
• [gmx-users] how to search the parameter file   Junfang.Zhang at csiro.au
• [gmx-users] g_hbond   MGiò
• [gmx-users] Re: g_hbond   Kia Balali-Mood
  • [gmx-users] Re: g_hbond   MGiò
• [gmx-users] Error estimation with TI   Maik Goette
  • [gmx-users] Error estimation with TI   David van der Spoel
    • [gmx-users] Error estimation with TI   Maik Goette
      • [gmx-users] Error estimation with TI   David van der Spoel
  • [gmx-users] Error estimation with TI   David Mobley
• [gmx-users] links   upolzben at savba.sk
  • [gmx-users] links   Jochen Hub
• [gmx-users] pdb2gmx problems   Ken Rotondi
  • [gmx-users] pdb2gmx problems   David van der Spoel
• [gmx-users] equilibrium   Tamas Horvath
  • [gmx-users] equilibrium   David van der Spoel
  • [gmx-users] equilibrium   David Mobley
    • [gmx-users] equilibrium   Tamas Horvath
      • [gmx-users] equilibrium   Lars Schaefer
      • [gmx-users] equilibrium   Tamas Horvath
      • [gmx-users] equilibrium   Lars Schaefer
• [gmx-users] extend the order of Ryckaert-Bellemans dihedral   dimka
  • [gmx-users] extend the order of Ryckaert-Bellemans dihedral   David van der Spoel
• [gmx-users] Re: Re: Re: Re: Size of perturbed groups in FEP   Bruce Milne
  • [gmx-users] pdb2gmx showing error for FE in protein   raja
    • [gmx-users] pdb2gmx showing error for FE in protein   Maik Goette
• [gmx-users] K ion   taveechai taveecharoenkool
  • [gmx-users] K ion   Jochen Hub
• [gmx-users] (no subject)   Naser, Md Abu
• [gmx-users] re K+ ion   taveechai taveecharoenkool
  • [gmx-users] re K+ ion   Yang Ye
    • [gmx-users] re K+ ion   taveechai taveecharoenkool
      • [gmx-users] re K+ ion   Yang Ye
      • [gmx-users] re K+ ion   taveechai taveecharoenkool
      • [gmx-users] re K+ ion   Yang Ye
• [gmx-users] protein membrane water simulations   Antonio Sergio Kimus Braz
  • [gmx-users] protein membrane water simulations   Weidong Xin
• [gmx-users] velocities not rescaled   Viswanadham Sridhara
  • [gmx-users] Re: velocities not rescaled   Viswanadham Sridhara
    • [gmx-users] cycloalkanic CH2-group   Isabella Daidone
    • [gmx-users] Re: velocities not rescaled   David van der Spoel
      • [gmx-users] Re: velocities not rescaled   Viswanadham Sridhara
      • [gmx-users] Re: velocities not rescaled   X.Periole
    • [gmx-users] Re: velocities not rescaled   X.Periole
• [gmx-users] Error in installation   Dhananjay
  • [gmx-users] Error in installation   David van der Spoel
    • [gmx-users] Error in installation   Dhananjay
      • [gmx-users] Error in installation   David van der Spoel
      • [gmx-users] Error in installation   Dhananjay
      • [gmx-users] Error in installation   David van der Spoel
      • [gmx-users] Error in installation   Erik Lindahl
      • [gmx-users] Error in installation   Yang Ye
    • [gmx-users] Error in GROMACS installtion in CYGWIN   raja
      • [gmx-users] Error in GROMACS installtion in CYGWIN   Yang Ye
      • [gmx-users] (no subject)   raja
      • [gmx-users] (no subject)   Mark Abraham
      • [gmx-users] (no subject)   raja
• [gmx-users] rmsf   Sampo Karkola
  • [gmx-users] rmsf   Osmair Vital de Oliveira
  • [gmx-users] rmsf   Sampo Karkola
• [gmx-users] shuffle option   Lubos Vrbka
  • [gmx-users] shuffle option   David van der Spoel
    • [gmx-users] shuffle option   Lubos Vrbka
• [gmx-users] Re: MDS of transmembrane protein   Anton Feenstra
• [gmx-users] area per lipid with peptide/protein   Patrick Fuchs
  • [gmx-users] area per lipid with peptide/protein   Nicolas Michel
• [gmx-users] where is the forcefield parameter read in?   jiqing
  • [gmx-users] where is the forcefield parameter read in?   Yang Ye
• [gmx-users] how to assign for the membrane protein!]   David van der Spoel
• [gmx-users] cycloalkanic CH2-group   Alessandra Villa
• [gmx-users] temperature and pressure values   Marino Convertino
  • [gmx-users] temperature and pressure values   Mark Abraham
    • [gmx-users] Issue in configure of LAM in Cygwin   raja
      • [Bulk] [gmx-users] Issue in configure of LAM in Cygwin   Yang Ye
• [gmx-users] pulling test   Marco Deriu
• [gmx-users] incomplete frame from .trr file   taveechai taveecharoenkool
  • [gmx-users] incomplete frame from .trr file   Yang Ye
• [gmx-users] Joining log files ?   Stéphane Teletchéa
  • [gmx-users] Joining log files ?   Lubos Vrbka
    • [gmx-users] Joining log files ?   Stéphane Teletchéa
    • [gmx-users] select a fragment for g_rms   Adriana Pietropaolo
• [gmx-users] scalability of Gromacs with MPI   Jan Thorbecke
  • [gmx-users] scalability of Gromacs with MPI   Berk Hess
• [gmx-users] (no subject)   Christian Hedegaard Jensen
  • [gmx-users] (no subject)   Mark Abraham
• [gmx-users] angle restraints and free energy calculations: For the record   David Mobley
• [gmx-users] NGMX instalation problem - with lesstif compiled   Eduardo Martins Lopes
  • [gmx-users] NGMX instalation problem - with lesstif compiled   David van der Spoel
• [gmx-users] problem with gromacs installation on SGI   dastmalchi.s at tbzmed.ac.ir
• [gmx-users] (no subject)   aloks at mbu.iisc.ernet.in
  • [gmx-users] (no subject)   leafyoung81-group at yahoo.com
    • [gmx-users] (no subject)   TJ Piggot
• [gmx-users] Re: Help regarding Gromac installation with MPI   Anton Feenstra
• [gmx-users] FEP and error estimation   Tomas Kubar
• [gmx-users] simulation crash   herbst at fhi-berlin.mpg.de
• [gmx-users] conversion of OPLS dihedrals to RB parameters   mernst at tricity.wsu.edu
• [gmx-users] Ene mapping interactions protein-membrane   andrea spitaleri
  • [gmx-users] Ene mapping interactions protein-membrane   X.Periole
• [gmx-users] Electrostatics and VDW   Una Bjarnadottir
  • [gmx-users] Electrostatics and VDW   David Mobley
• [gmx-users] ffG45a3 force field rtp file   Dongsheng Zhang
  • [gmx-users] ffG45a3 force field rtp file   David van der Spoel
• [gmx-users] dssp on PC   Wang Zhun
  • [gmx-users] dssp on PC   dastmalchi.s at tbzmed.ac.ir
    • [gmx-users] dssp on PC   Mark Abraham
• [gmx-users] dssp on PC   dastmalchi.s at tbzmed.ac.ir
• [gmx-users] Error message in g_rms   Bob Johnson
  • [gmx-users] Error message in g_rms   X.Periole
• [gmx-users] G43a1 RNA dihedrals   Ken
  • [gmx-users] G43a1 RNA dihedrals   David van der Spoel
    • [gmx-users] G43a1 RNA dihedrals   Ken Rotondi
      • [gmx-users] G43a1 RNA dihedrals   leafyoung81-group at yahoo.com
      • [gmx-users] G43a1 RNA dihedrals   Ken Rotondi
• [gmx-users] Helo to Gromacs users around the World.   jaimohan sm
  • [gmx-users] Helo to Gromacs users around the World.   leafyoung81-group at yahoo.com
• [gmx-users] periodic loading   Nguyen Hoang Phuong
• [gmx-users] Re: gmx-users Digest, Vol 21, Issue 65   jaimohan sm
• [gmx-users] Re: Re: temperature and pressure values   Marino Convertino
  • [gmx-users] Re: Re: temperature and pressure values   Mark Abraham
• [gmx-users] Force analysis   Janne Hirvi
  • [gmx-users] Force analysis   Nguyen Hoang Phuong
• [gmx-users] Re: ffG45a3 force field rtp file   Dongsheng Zhang
• [gmx-users] Heme-ligand   Anthony Cruz
• [gmx-users] protonate programs in gromacs3.3   이 선주
• [gmx-users] HEME-LIGAND   Anthony Cruz
• [gmx-users] Re: dssp on PC   Dastmalchi
  • [gmx-users] Re: dssp on PC   Christoph Weise
• [gmx-users] gen_vel and lincs error   tprq at superposta.com
• [gmx-users] ge_vel and lincs error   tprq at superposta.com
  • [gmx-users] ge_vel and lincs error   leafyoung81-group at yahoo.com
• [gmx-users] need help with free energy of solvation calculati on   Moore, Jonathan (J)
  • [gmx-users] need help with free energy of solvation calculati on   David Mobley
• [gmx-users] temp plot   Tamas Horvath
  • [gmx-users] temp plot   Xavier Periole
  • [gmx-users] temp plot   Christoph Weise
    • [gmx-users] temp plot   Tamas Horvath
• [gmx-users] Re: Re: Re: temperature and pressure values   Marino Convertino
  • [gmx-users] Re: Re: Re: temperature and pressure values   Yang Ye
• [gmx-users] Fwd: Help regarding Gromac installation with MPI   sachin hegde
  • [gmx-users] Fwd: Help regarding Gromac installation with MPI   Christoph Weise
    • [gmx-users] Fwd: Help regarding Gromac installation with MPI   sachin hegde
• [gmx-users] hemoglobin question   Anthony Cruz
• [gmx-users] rhombic dodecahedron and very high pressures   Brian Curtis Stephenson
• [gmx-users] Re: gmx-users Digest, Vol 21, Issue 69   jaimohan sm
• [gmx-users] Re: traj problem GROMACS   Anton Feenstra
• [gmx-users] Electrostatics and VDW   Una Bjarnadottir
  • [gmx-users] Electrostatics and VDW   David Mobley
• [gmx-users] O2   Anthony Cruz
  • [gmx-users] O2   leafyoung81-group at yahoo.com
• [gmx-users] particle tranfer molecular dynamics   ARGYRIOS KARATRANTOS
  • [gmx-users] particle tranfer molecular dynamics   Mark Abraham
• [gmx-users] particle transfer molecular dynamics   ARGYRIOS KARATRANTOS
  • [gmx-users] particle transfer molecular dynamics   Mark Abraham
• [gmx-users] Re: dssp on PC   dastmalchi.s at tbzmed.ac.ir
• [gmx-users] Installation problem on O2 SGI   dastmalchi.s at tbzmed.ac.ir
  • [gmx-users] Installation problem on O2 SGI   leafyoung81-group at yahoo.com
• [gmx-users] a query....   meetmaagi
  • [gmx-users] a query....   X.Periole
    • [gmx-users] a query....   leafyoung81-group at yahoo.com
      • [gmx-users] a query....   X.Periole
      • [gmx-users] a query....   leafyoung81-group at yahoo.com
      • [gmx-users] a query....   X.Periole
• [gmx-users] memory problem (normal mode analysis)   Sridhar Acharya
  • [gmx-users] memory problem (normal mode analysis)   Erik Lindahl
• [gmx-users] mutual diffusion coefficient   ARGYRIOS KARATRANTOS
  • [gmx-users] mutual diffusion coefficient   Viswanadham Sridhara
  • [gmx-users] mutual diffusion coefficient   David van der Spoel
• [gmx-users] restrainted set of simulations   Itamar Kass
  • [gmx-users] restrainted set of simulations   X.Periole
    • [gmx-users] restrainted set of simulations   Itamar Kass
• [gmx-users] gmx-users Digest, Vol 21, Issue 74   jaimohan sm
• [gmx-users] Single core Quad processor or Dual processor Dual core?   Andrea Carotti
  • [gmx-users] Single core Quad processor or Dual processor Dual core?   Lubos Vrbka
  • [gmx-users] Single core Quad processor or Dual processor Dual core?   Erik Lindahl
• [gmx-users] water in cubic box exploding   Fernando Mattio
• [gmx-users] MPI tips   David Mathog
  • [gmx-users] MPI tips   David Mobley
    • [gmx-users] eps file to ps or pdf format   raja
      • [gmx-users] eps file to ps or pdf format   Mark Abraham
  • [gmx-users] MPI tips   Erik Lindahl
• [gmx-users] compiling both MPI and non MPI versions --enable-shared   David Mathog
  • [gmx-users] compiling both MPI and non MPI versions --enable-shared   Erik Lindahl
  • [gmx-users] compiling both MPI and non MPI versions --enable-shared   Florian Haberl
• [gmx-users] Huge trr files   hseara at netscape.net
  • [gmx-users] Huge trr files   David Mobley
• [gmx-users] mutual coefficient   ARGYRIOS KARATRANTOS
  • [gmx-users] mutual coefficient   Berk Hess
• [gmx-users] Re: MPI tips   David Mathog
  • [gmx-users] Re: MPI tips   David Mobley
• [gmx-users] Fatal error   Anthony Cruz
• [gmx-users] Re: MPI tips   Dallas B. Warren
• [gmx-users] SGI installation problem: forcing the compilation with gcc   Dastmalchi
  • [gmx-users] SGI installation problem: forcing the compilation with gcc   Erik Lindahl
• [gmx-users] "B" state for free energy corrupts minimization?   mernst at tricity.wsu.edu
  • [gmx-users] "B" state for free energy corrupts minimization?   Berk Hess
  • [gmx-users] "B" state for free energy corrupts minimization?   David Mobley
• [gmx-users] FW: Gromacs version 3.3   Pradeep Kota
• [gmx-users] APBS solvent   lali.s
• [gmx-users] a query....   Yang Ye
  • [gmx-users] a query....   Xavier Periole
    • [gmx-users] a query....   Mark Abraham
• [gmx-users] Atom NZ1 not found in rtp database in residue LYSH, it looks a bit like NZ   Una Bjarnadottir
• [gmx-users] Re: MPI tips   David Mathog
• [gmx-users] lincs in parallel runs   Laura Dominguez
• [gmx-users] Reducing fast motion with Langevin Dynamics   Bob Johnson
• [gmx-users] MPI scaling (was RE: MPI tips)   David Mathog
• [gmx-users] Re: MPI tips   Dallas B. Warren
• [gmx-users] visualize normal mode   Lianqing Zheng

Last message date: Tue Jan 31 23:51:36 CET 2006
Archived on: Thu Nov 14 12:02:36 CET 2013

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