January 2007 Archives by thread

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Starting: Mon Jan 1 11:39:57 CEST 2007
Ending: Wed Jan 31 19:43:27 CEST 2007
Messages: 461

• [gmx-users] problem with g_energy tool   David van der Spoel
  • [gmx-users] problem with g_energy tool   Veera Krasnenko
• [gmx-users] ghbond/- hbn option   OZGE ENGIN
  • [gmx-users] ghbond/- hbn option   Erik Marklund
• [gmx-users] mdrun error during pr   Dhananjay
  • [gmx-users] mdrun error during pr   Tsjerk Wassenaar
  • [gmx-users] mdrun error during pr   Yang Ye
• [gmx-users] Some questions about genbox and EM   Hu Zhongqiao
  • [gmx-users] Some questions about genbox and EM   Tsjerk Wassenaar
• [gmx-users] Re: Some questions about genbox and EM (Tsjerk Wassenaar)   Hu Zhongqiao
  • [gmx-users] Re: Some questions about genbox and EM (Tsjerk Wassenaar)   Erik Marklund
    • [gmx-users] Re: Some questions about genbox and EM (Tsjerk Wassenaar)   Tsjerk Wassenaar
• [gmx-users] Benchmarking for Intel Core 2 Extreme QX6700 CPU   Eran Bosis
  • [gmx-users] Benchmarking for Intel Core 2 Extreme QX6700 CPU   Erik Lindahl
• [gmx-users] g_chi   X Zheng
• [gmx-users] Error when adding a unnatural amio acid   yuemin liu
  • [gmx-users] Error when adding a unnatural amio acid   Yang Ye
    • [gmx-users] Error when adding a unnatural amio acid   yuemin liu
    • [gmx-users] Error when adding a unnatural amio acid   yuemin liu
      • [gmx-users] Error when adding a unnatural amio acid   Yang Ye
      • [gmx-users] Error when adding a unnatural amio acid   yuemin liu
      • [gmx-users] Error when adding a unnatural amio acid   Yang Ye
      • [gmx-users] Error when adding a unnatural amio acid   yuemin liu
      • [gmx-users] Error when adding a unnatural amio acid   Yang Ye
      • [gmx-users] Error when adding a unnatural amio acid   yuemin liu
      • [gmx-users] Error when adding a unnatural amio acid   yuemin liu
      • [gmx-users] Error when adding a unnatural amio acid   Tsjerk Wassenaar
      • [gmx-users] Error when adding a unnatural amio acid   Yang Ye
  • [gmx-users] Error when adding a unnatural amio acid   David van der Spoel
• [gmx-users] Error when adding a unnatural amio acid   Mu Yuguang (Dr)
• [gmx-users] question about dihedral angle in *.itp file   linfu
  • [gmx-users] question about dihedral angle in *.itp file   David van der Spoel
    • [gmx-users] question about dihedral angle in *.itp file   Tsjerk Wassenaar
• [gmx-users] (no subject)   sharada
  • [gmx-users] (no subject)   Mark Abraham
    • [gmx-users] (no subject)   Caterina Arcangeli
      • [gmx-users] Difference in the Forcefields and speed...   sharada
      • [gmx-users] Difference in the Forcefields and speed...   Mark Abraham
      • [gmx-users] Installation of Gromacs and speed...   sharada
      • [gmx-users] Installation of Gromacs and speed...   Mark Abraham
• [gmx-users] pdb for a structure with more then 300 atoms   nur avneet
  • [gmx-users] pdb for a structure with more then 300 atoms   Mark Abraham
• [gmx-users] Can I use more memory to speed up computa tion?   Yang Ye
• [gmx-users] Error in .top file for grompp   한상화
  • [gmx-users] Error in .top file for grompp   Mark Abraham
• [gmx-users] atom types in share/gromacs/top/edissoc.dat   egorov
  • [gmx-users] atom types in share/gromacs/top/edissoc.dat   David van der Spoel
• [gmx-users] g_rotacf   Rama Gullapalli
  • [gmx-users] g_rotacf   David van der Spoel
• [gmx-users] Are the constraint forces included in the forces outputed in the trr file?   Pu Liu
  • [gmx-users] Are the constraint forces included in the forces outputed in the trr file?   Dallas B. Warren
    • [gmx-users] Are the constraint forces included in the forces outputed in the trr file?   Mark Abraham
  • [gmx-users] Are the constraint forces included in the forcesoutputed in the   Berk Hess
    • [gmx-users] Are the constraint forces included in the forcesoutputed in the   David van der Spoel
      • [gmx-users] Are the constraint forces included inthe forcesoutputed in the   Berk Hess
      • [gmx-users] problem with genion   Abil Aliev
      • [gmx-users] problem with genion   David van der Spoel
      • [gmx-users] problem with genion   Mark Abraham
      • [gmx-users] problem with genion   Abil Aliev
      • [gmx-users] Are the constraint forces included intheforcesoutputed in the   Pu Liu
• [gmx-users] Installation of Gromacs and speed...   sharada
• [gmx-users] afm does not work!   zzhwise1 at 163.com
  • [gmx-users] afm does not work!   Mark Abraham
• [gmx-users] problem regarding xmgr   sangeeta
  • [gmx-users] problem regarding xmgr   David van der Spoel
• [gmx-users] tau_p   chetana baliga
  • [gmx-users] tau_p   Mark Abraham
    • [gmx-users] tau_p   Tsjerk Wassenaar
      • [gmx-users] tau_p   Mark Abraham
• [gmx-users] About g_cluster   Caterina Arcangeli
• [gmx-users] gromacs 4 release date?   Chris Neale
  • [gmx-users] gromacs 4 release date?   David van der Spoel
• [gmx-users] dihedral   Prasad Gajula
  • [gmx-users] dihedral   Lars.Schaefer at mpi-bpc.mpg.de
• [gmx-users] Interaction energy calculation in a radius   aloks at mbu.iisc.ernet.in
• [gmx-users] Error in .top when running grompp for final product MD   한상화
  • [gmx-users] Error in .top when running grompp for final product MD   Mark Abraham
• [gmx-users] tau_p   Pedro Alexandre de Araújo Gomes Lapido Loureiro
  • [gmx-users] tau_p   Mark Abraham
• [gmx-users] ci value   correafe at iq.usp.br
• [gmx-users] REMD demuxing   Andrea C. Vaiana
  • [gmx-users] REMD demuxing   David van der Spoel
    • [gmx-users] REMD demuxing   Andrea C. Vaiana
  • [gmx-users] REMD demuxing   Nikos Sgourakis
• [gmx-users] How can I generate a FCC unit cell?   Eudes Fileti
  • [gmx-users] How can I generate a FCC unit cell?   David van der Spoel
  • [gmx-users] How can I generate a FCC unit cell?   Mark Abraham
• [gmx-users] GROMACS AMBER DNA TERMINUS   Andreas Kukol
  • [gmx-users] GROMACS AMBER DNA TERMINUS   Erik Marklund
  • [gmx-users] GROMACS AMBER DNA TERMINUS   Maik Goette
• [gmx-users] k-means clustering in GROMACS   Nikos Sgourakis
  • [gmx-users] k-means clustering in GROMACS   David van der Spoel
• [gmx-users] disallowed residue calculation   anwar at cdfd.org.in
• [gmx-users] Re: question about dihedral angle in *.itp file   linfu
• [gmx-users] PMF calculation   chetana baliga
  • [gmx-users] PMF calculation   Mark Abraham
    • =?gb2312?q?=BB=D8=B8=B4=A3=BA=20Re:=20[gmx-users]=20PMF=20calculation?=   xi zhao
      • =?GB2312?B?u9i4tKO6IFJlOiBbZ214LXVzZXJzXSBQTUYgY2FsY3VsYXRpbw==?= =?GB2312?B?bg==?=   David van der Spoel
• [gmx-users] Re: question about dihedral angle in *.itp file   Mark Abraham
• [gmx-users] Centering using trjconv   Mitchell J Stanton-Cook
• [gmx-users] Can I run BD in water media using Gmx?   Hu Zhongqiao
• [gmx-users] Re : tau_p   chetana baliga
• [gmx-users] Placing the molecule in the centre of the box   nur avneet
  • [gmx-users] Placing the molecule in the centre of the box   Mark Abraham
• [gmx-users] g_enemat   Dmitriy Golubobsky
• [gmx-users] Error during mdrun   chetana baliga
  • [gmx-users] Error during mdrun   Mark Abraham
    • [gmx-users] Error during mdrun   Tsjerk Wassenaar
      • [gmx-users] Error during mdrun   Mark Abraham
• [gmx-users] freeze group   Bio
  • [gmx-users] freeze group   Mark Abraham
• [gmx-users] g_energy and g_enemat   Elias santos
• [gmx-users] Error during mdrun   chetana baliga
  • [gmx-users] Error during mdrun   Mark Abraham
• [gmx-users] /x?.FPIB.CCI_6NF.QSgKkRQ.a   OZGE ENGIN
• [gmx-users] hbond types over each frame   OZGE ENGIN
  • [gmx-users] hbond types over each frame   Erik Marklund
• [gmx-users] The meaning of rlist and rcoulomb for coulombtype=reaction-field   John D. Chodera
  • [gmx-users] The meaning of rlist and rcoulomb for coulombtype=reaction-field   Mark Abraham
    • [gmx-users] The meaning of rlist and rcoulomb for coulombtype=reaction-field   David van der Spoel
      • [gmx-users] The meaning of rlist and rcoulomb for coulombtype=reaction-field   Mark Abraham
• [gmx-users] the box margin plot in VMD   wurl
  • [gmx-users] the box margin plot in VMD   Dallas B. Warren
• [gmx-users] about afm !   zzhwise1 at 163.com
  • [gmx-users] about afm !   Mark Abraham
  • [gmx-users] about afm !   Maik Goette
• [gmx-users] compressibility value for SPC water   chetana baliga
  • [gmx-users] compressibility value for SPC water   Mark Abraham
  • [gmx-users] compressibility value for SPC water   David van der Spoel
• [gmx-users] Re: Can I run BD in water media using Gmx? (Hu Zhongqiao)   Hu Zhongqiao
  • [gmx-users] Re: Can I run BD in water media using Gmx? (Hu Zhongqiao)   Mark Abraham
    • [gmx-users] Re: Can I run BD in water media using Gmx? (Hu Zhongqiao)   H.J.Risselada
• [gmx-users] energy   mahbubeh zarrabi
  • [gmx-users] energy   Mark Abraham
  • [gmx-users] energy   Florian Haberl
• [gmx-users] g_sdf function in a 2D map   Afonso Duarte
  • [gmx-users] negative diffusion constant by g_msd -mol option   m-hatake at jaist.ac.jp
    • [gmx-users] negative diffusion constant by g_msd -mol option   David van der Spoel
• [gmx-users] Essential Dynamics Sampling (EDS) MD   Ran Friedman
• [gmx-users] g_energy and/or g_enemat   Elias santos
• [gmx-users] 2 questions: pdb2gmx and genbox   WILLIAM R WELCH
  • [gmx-users] 2 questions: pdb2gmx and genbox   Mark Abraham
    • [gmx-users] 2 questions: pdb2gmx and genbox   Tsjerk Wassenaar
• [gmx-users] Re: Can I run BD in water media using Gmx?(H.J.Risselada)   Hu Zhongqiao
  • [gmx-users] Re: Can I run BD in water media using Gmx? (H.J.Risselada)   H.J.Risselada
• [gmx-users] RAM MEMORY USAGE FOR g_cluster/g_rms   sridhar at cdfd.org.in
  • [gmx-users] RAM MEMORY USAGE FOR g_cluster/g_rms   David van der Spoel
• [gmx-users] Eessential dynamics analysis   sunita at chem.iitb.ac.in
  • [gmx-users] Eessential dynamics analysis   Tsjerk Wassenaar
• [gmx-users] RAM MEMORY USAGE FOR g_cluster/g_rms   sridhar at cdfd.org.in
  • [gmx-users] RAM MEMORY USAGE FOR g_cluster/g_rms   David van der Spoel
• [gmx-users] Essential Dynamics Sampling (EDS) MD   Ran Friedman
  • [gmx-users] Essential Dynamics Sampling (EDS) MD   Lars Schaefer
    • [gmx-users] Essential Dynamics Sampling (EDS) MD   Ran Friedman
      • [gmx-users] Essential Dynamics Sampling (EDS) MD   Lars Schaefer
      • [gmx-users] Essential Dynamics Sampling (EDS) MD   Bert de Groot
      • [gmx-users] Essential Dynamics Sampling (EDS) MD   Ran Friedman
      • [gmx-users] Essential Dynamics Sampling (EDS) MD   Bert de Groot
      • [gmx-users] Essential Dynamics Sampling (EDS) MD   Ran Friedman
• [gmx-users] error while compilation of Gromacs 3.3.1.....   sharada
  • [gmx-users] error while compilation of Gromacs 3.3.1.....   Martin Höfling
    • [gmx-users] error while compilation of Gromacs 3.3.1.....   sharada
      • [gmx-users] error while compilation of Gromacs 3.3.1.....   Martin Höfling
      • [gmx-users] error while compilation of Gromacs 3.3.1.....   sharada
• [gmx-users] the box margin plot in VMD   Chris Neale
• [gmx-users] Has the forces for virtual sites in the trr file been reditributed?   Pu Liu
  • [gmx-users] Has the forces for virtual sites in the trr file been reditributed?   David van der Spoel
    • [gmx-users] Has the forces for virtual sites in the trr filebeen reditributed?   Pu Liu
• [gmx-users] center of mass motion in lipid bilayer   Jian Dai
  • [gmx-users] center of mass motion in lipid bilayer   David van der Spoel
• [gmx-users] box size for simulation of membrane protein   Mohamed Osman
• [gmx-users] hbhelix,hbond,hbnum files   OZGE ENGIN
• [gmx-users] micelle center of mass rdf to water   Chris Neale
  • [gmx-users] micelle center of mass rdf to water   Tsjerk Wassenaar
• [gmx-users] epsilon_rf   Volker Knecht
  • [gmx-users] epsilon_rf   Berk Hess
• [gmx-users] box size for simulation of membrane protein   Alan Dodd
• [gmx-users] trjconv(extraction of certain frames)   OZGE ENGIN
  • [gmx-users] trjconv(extraction of certain frames)   Florian Haberl
• [gmx-users] glutathionylation and SS bonds formation in GMX   Luca Mollica
  • [gmx-users] glutathionylation and SS bonds formation in GMX   Marc F. Lensink
    • [gmx-users] glutathionylation and SS bonds formation in GMX   Tsjerk Wassenaar
• [gmx-users] infinitive force acting on atom during minimization   Joern Lenz
  • [gmx-users] infinitive force acting on atom during minimization   Tsjerk Wassenaar
• [gmx-users] micelle center of mass rdf to water   Chris Neale
• [gmx-users] coil-globule   Dmitriy Golubobsky
  • [gmx-users] coil-globule   David van der Spoel
• [gmx-users] Segmentation error (core dump)   Shichen wang
  • [gmx-users] Segmentation error (core dump)   Mark Abraham
    • [gmx-users] Segmentation error (core dump)   Shichen wang
• [gmx-users] How to check whether GROMACS was installed correctly?   Vladimir Korostelev
  • [gmx-users] How to check whether GROMACS was installed correctly?   Mark Abraham
    • [gmx-users] How to check whether GROMACS was installed correctly?   Vladimir Korostelev
      • [gmx-users] How to check whether GROMACS was installed correctly?   David van der Spoel
      • [gmx-users] Why GROMACS demo fails?   Vladimir Korostelev
      • [gmx-users] Why GROMACS demo fails?   Tsjerk Wassenaar
      • [gmx-users] Where is my bin?   Vladimir Korostelev
      • [gmx-users] Where is my bin?   Robert fiske
      • [gmx-users] Where is my bin?   Vladimir Korostelev
      • [gmx-users] Where is my bin?   Robert fiske
      • [gmx-users] Where is my bin?   David van der Spoel
      • [gmx-users] Where is my bin?   Ansgar Esztermann
      • [gmx-users] Where is my bin?   Vladimir Korostelev
      • [gmx-users] Where is my bin?   Mark Abraham
      • [gmx-users] How to check whether GROMACS was installed correctly?   Tsjerk Wassenaar
      • [gmx-users] How to check whether GROMACS was installed correctly?   Mark Abraham
• [gmx-users] infinitive force acting on atom during   Joern Lenz
  • [gmx-users] infinitive force acting on atom during   Tsjerk Wassenaar
    • [gmx-users] infinitive force acting on atom during   Sivashangari Gnanasambandam
      • [gmx-users] infinitive force acting on atom during   Mark Abraham
      • [gmx-users] How to run NPT (anisotropic simulatio) for urea-water system with variable axis only in z direction   Sivashangari Gnanasambandam
      • [gmx-users] How to run NPT (anisotropic simulatio) for urea-water system with variable axis only in z direction   Mark Abraham
• Fw: Re: Re: [gmx-users] error while compilation of Gromacs3.3.1.....   sharada
  • Fw: Re: Re: [gmx-users] error while compilation of Gromacs3.3.1.....   Mark Abraham
    • Fw: Re: Re: [gmx-users] error while compilation of Gromacs3.3.1.....   Martin Höfling
• [gmx-users] How to check whether installation of GROMACS was correct?   Vladimir Korostelev
• [gmx-users] error while compilation of Gromacs 3.3.1.....   sharada
  • [gmx-users] error while compilation of Gromacs 3.3.1.....   Martin Höfling
    • [gmx-users] Error while compilation of Gromacs 3.3.1.....   sharada
      • [gmx-users] Error while compilation of Gromacs 3.3.1.....   Martin Höfling
      • [gmx-users] Error while compilation of Gromacs 3.3.1.....   sharada
      • [gmx-users] Error while compilation of Gromacs 3.3.1.....   Mark Abraham
      • [gmx-users] Error while compilation of Gromacs 3.3.1.....   Martin Höfling
  • [gmx-users] Error while compilation of Gromacs3.3.1.....in SGI Octane   sharada
    • [gmx-users] Error while compilation of Gromacs3.3.1.....in SGI Octane   raja
• [gmx-users] Error in Energy Minimization   Sunny
  • [gmx-users] Error in Energy Minimization   Mark Abraham
  • [gmx-users] Error in Energy Minimization   Tsjerk Wassenaar
    • [gmx-users] Error in Energy Minimization   Sunny
      • [gmx-users] Error in Energy Minimization   Sunny
      • [gmx-users] Error in Energy Minimization   Tsjerk Wassenaar
      • [gmx-users] Error in Energy Minimization   Mark Abraham
• [gmx-users] Replica Exchange Analysis Tools   Robert Johnson
  • [gmx-users] Replica Exchange Analysis Tools   David van der Spoel
    • [gmx-users] Replica Exchange Analysis Tools   Robert Johnson
• [gmx-users] center of mass motion   Cherry Y. Yates
  • [gmx-users] center of mass motion   David van der Spoel
• [gmx-users] Disulfide between protein Cys and GSH   한상화
  • [gmx-users] Disulfide between protein Cys and GSH   Mark Abraham
    • [gmx-users] Disulfide between protein Cys and GSH   한상화
      • [gmx-users] Disulfide between protein Cys and GSH   Mark Abraham
      • [gmx-users] Disulfide between protein Cys and GSH   한상화
      • [gmx-users] Disulfide between protein Cys and GSH   Mark Abraham
      • [gmx-users] Disulfide between protein Cys and GSH   한상화
• [gmx-users] MANPATH setting in GMXRC.bash   Ignacio Fernández Galván
  • [gmx-users] MANPATH setting in GMXRC.bash   Ansgar Esztermann
    • [gmx-users] MANPATH setting in GMXRC.bash   Ignacio Fernández Galván
      • [gmx-users] MANPATH setting in GMXRC.bash   Ansgar Esztermann
• [gmx-users] pdb2gmx and his-heme group   Anthony Cruz Balberdi
  • [gmx-users] pdb2gmx and his-heme group   Mark Abraham
    • [gmx-users] pdb2gmx and his-heme group   Tsjerk Wassenaar
• [gmx-users] inconsistent XTC/Magic number error in g_density   Alan Dodd
  • [gmx-users] inconsistent XTC/Magic number error in g_density   David van der Spoel
• [gmx-users] Water molecule can not be settled   Sunny
  • [gmx-users] Water molecule can not be settled   Tsjerk Wassenaar
• [gmx-users] PBC in g_gyrate   singh
  • [gmx-users] PBC in g_gyrate   Erik Marklund
    • [gmx-users] PBC in g_gyrate   Tsjerk Wassenaar
      • [gmx-users] PBC in g_gyrate   Erik Marklund
• [gmx-users] inconsistent XTC/Magic number error in g_density   Alan Dodd
• [gmx-users]   Carlos Javier Nuñez Aguero
  • [gmx-users]   Tsjerk Wassenaar
    • [gmx-users]   Lars Schaefer
  • [gmx-users] MPIRUN error while running position restrained MD   Ragothaman Yennamalli
    • [gmx-users] MPIRUN error while running position restrained MD   Mark Abraham
      • [gmx-users] MPIRUN error while running position restrained MD   Ragothaman Yennamalli
      • [gmx-users] MPIRUN error while running position restrained MD   Tsjerk Wassenaar
      • [gmx-users] MPIRUN error while running position restrained MD   Ragothaman Yennamalli
      • [gmx-users] MPIRUN error while running position restrained MD   Mark Abraham
      • [gmx-users] MPIRUN error while running position restrained MD   Ragothaman Yennamalli
      • [gmx-users] MPIRUN error while running position restrained MD   Ragothaman Yennamalli
      • [gmx-users] MPIRUN error while running position restrained MD   Tsjerk Wassenaar
      • [gmx-users] MPIRUN error while running position restrained MD   Ragothaman Yennamalli
• [gmx-users] PBC in g_gyrate   Chris Neale
• [gmx-users] PBC in g_gyrate   Chris Neale
• [gmx-users] output of 'mdrun' with conjugate gradient   Karina Mai
• [gmx-users] inconsistent XTC/Magic number error in g_density   Alan Dodd
• [gmx-users] [Beginner] How can I generate .gro and .top?   Marcelo de Freitas Lima
  • [gmx-users] [Beginner] How can I generate .gro and .top?   David van der Spoel
  • [gmx-users] [Beginner] How can I generate .gro and .top?   Yang Ye
• [gmx-users] g-msd diffusion of molecules   Jun Soo Kim
  • [gmx-users] Gromacs 3.2.1: catastrophic error: could not open source file "sfftw.h"   Mike Hanby
    • [gmx-users] Gromacs 3.2.1: catastrophic error: could not opensource file "sfftw.h"   Mike Hanby
• [gmx-users] Long range energies   Richard Vadnais
  • [gmx-users] Long range energies   Mark Abraham
• [gmx-users] [Beginner] How can I generate .gro and .top?   Marcelo de Freitas Lima
  • [gmx-users] [Beginner] How can I generate .gro and .top?   Tsjerk Wassenaar
    • [gmx-users] broken links in online tutorial files   WILLIAM R WELCH
• [gmx-users] problem regarding dssp   sangeeta
• [gmx-users] Gromacs 3.2.1: catastrophic error: could not open source file "sfftw.h"   Mike Hanby
• [gmx-users] N/A   sangeeta
  • [gmx-users] N/A   Florian Haberl
    • [gmx-users] N/A   Mark Abraham
• [gmx-users] question regarding g_sham   Afonso Duarte
• [gmx-users] 3D-distribution   Roman Holomb
  • [gmx-users] 3D-distribution   Tsjerk Wassenaar
  • [gmx-users] 3D-distribution   Dallas B. Warren
• [gmx-users] RE: Gromacs 3.2.1: catastrophic error: could not open source file "sfftw.h"   Mike Hanby
• [gmx-users] Comparison of hydrogen bond number   OZGE ENGIN
  • [gmx-users] Comparison of hydrogen bond number   Mark Abraham
• [gmx-users] Twin-range neighbour searching (NS) with simple NS algorithm not implemented   DeChang Li
• [gmx-users] g_energy   Dmitriy Golubobsky
  • [gmx-users] g_energy   Mark Abraham
• [gmx-users] g_rdf   Krapnik
• [gmx-users] Re: long range energy   Richard Vadnais
  • [gmx-users] Re: long range energy   Berk Hess
• [gmx-users] Re: long range energy   Alan Dodd
• [gmx-users] how to calculate internal energy for energygroups?   Marc Baaden
  • [gmx-users] how to calculate internal energy for energygroups?   Robert Johnson
    • [gmx-users] how to calculate internal energy for energygroups?   David van der Spoel
    • [gmx-users] how to calculate internal energy for energygroups?   Marc Baaden
      • [gmx-users] how to calculate internal energy for energygroups?   David van der Spoel
      • [gmx-users] how to calculate internal energy for energygroups?   Marc Baaden
      • [gmx-users] how to calculate internal energy for energygroups?   Robert Johnson
      • [gmx-users] how to calculate internal energy for energygroups?   Mark Abraham
      • [gmx-users] how to calculate internal energy for energygroups?   Marc Baaden
      • [gmx-users] how to calculate internal energy for energygroups?   David van der Spoel
      • [gmx-users] how to calculate internal energy for energygroups?   Marc Baaden
• [gmx-users] Error using -demux flag in trjcat (development version)   Robert Johnson
  • [gmx-users] Signal:11 info.si_errno:0(Success) si_code:1(SEGV_MAPERR)   Mike Hanby
    • [gmx-users] Signal:11 info.si_errno:0(Success) si_code:1(SEGV_MAPERR)   David van der Spoel
• [gmx-users] g_rdf   Chris Neale
• [gmx-users] long range energy   Richard Vadnais
  • [gmx-users] long range energy   Berk Hess
  • [gmx-users] long range energy   Berk Hess
• [gmx-users] desorting   Chris Neale
• [gmx-users] desorting   Chris Neale
• [gmx-users] radial pmf   Manohar Murthi
• [gmx-users] How to implement dihedral restraints   Ryogo Sugitani
• [gmx-users] How to implement dihedral restraints   Chris Neale
  • [gmx-users] How to implement dihedral restraints   David Mobley
  • [gmx-users] How to implement dihedral restraints   Ryogo Sugitani
    • [gmx-users] How to implement dihedral restraints   David Mobley
• [gmx-users] radial pmf   Chris Neale
• [gmx-users] N/A   sangeeta
• [gmx-users] Re: g_lie function   Anton Feenstra
• [gmx-users] g_energy   mahbubeh zarrabi
  • [gmx-users] g_energy   Mark Abraham
• [gmx-users] g_energy   mahbubeh zarrabi
• [gmx-users] generation of a box of water   K.F. Austen
  • [gmx-users] generation of a box of water   Robert Johnson
• [gmx-users] problem regarding pbc   sangeeta
  • [gmx-users] problem regarding pbc   Tsjerk Wassenaar
    • [gmx-users] problem regarding dssp   sangeeta
    • [gmx-users] problem regarding pbc   N.Goga
• [gmx-users] problem regarding pbc   sangeeta
• [gmx-users] problem regarding dssp   sangeeta
  • [gmx-users] problem regarding dssp   Tsjerk Wassenaar
• [gmx-users] problem regarding dssp   sangeeta
• [gmx-users] Quantical Atoms   asg2000
• [gmx-users] Ions Parameters   asg2000
• [gmx-users] Info on g_sas DGsolv   Afonso Duarte
  • [gmx-users] Info on g_sas DGsolv   David van der Spoel
• [gmx-users] pdbgmx warning long bond   maite lopez
  • [gmx-users] pdbgmx warning long bond   Tsjerk Wassenaar
  • [gmx-users] pdbgmx warning long bond   Gregoire Masliah
    • [gmx-users] pdbgmx warning long bond   Tsjerk Wassenaar
      • [gmx-users] pdbgmx warning long bond   maite lopez
      • [gmx-users] pdbgmx warning long bond   Tsjerk Wassenaar
  • [gmx-users] pdbgmx warning long bond   Stéphane Téletchéa
    • [gmx-users] pdbgmx warning long bond   maite lopez
• [gmx-users] MD Error after adding a unnatural amio acid   yuemin liu
  • [gmx-users] MD Error after adding a unnatural amio acid   Tsjerk Wassenaar
    • [gmx-users] MD Error after adding a unnatural amio acid   yuemin liu
      • [gmx-users] MD Error after adding a unnatural amio acid   Tsjerk Wassenaar
  • [gmx-users] MD Error after adding a unnatural amio acid   Mark Abraham
• [gmx-users] compile Gromacs 3.2.1: line 0: unexpected EOF while looking for matching `"'   Mike Hanby
  • [gmx-users] compile Gromacs 3.2.1: line 0: unexpected EOF while looking for matching `"'   David van der Spoel
• [gmx-users] desort   Chris Neale
• [gmx-users] LINCS error during mdrun   한상화
  • [gmx-users] LINCS error during mdrun   Mark Abraham
    • [gmx-users] LINCS error during mdrun   Stéphane Téletchéa
  • [gmx-users] LINCS error during mdrun   Tsjerk Wassenaar
• [gmx-users] free energy calculation   Paolo Cerri
  • [gmx-users] free energy calculation   Maik Goette
    • [gmx-users] free energy calculation   David Mobley
• [gmx-users] lambda dependence of nonbonded parameters   Paolo Cerri
  • [gmx-users] lambda dependence of nonbonded parameters   David Mobley
• [gmx-users] generation of a box of water   K.F. Austen
  • [gmx-users] generation of a box of water   David van der Spoel
• [gmx-users] problem regarding dssp   sangeeta
  • [gmx-users] problem regarding dssp   Tsjerk Wassenaar
    • [gmx-users] problem regarding dssp   sangeeta
    • [gmx-users] problem regarding dssp   sangeeta
    • [gmx-users] problem regarding dssp   sangeeta
• [gmx-users] problem regarding dssp   sangeeta
• [gmx-users] problem regarding dssp   sangeeta
• [gmx-users] query about protein contact map and salt concentration   sangeeta
  • [gmx-users] query about protein contact map and salt concentration   Mark Abraham
• [gmx-users] N/A   sangeeta
• [gmx-users] N/A   sangeeta
• [gmx-users] Re: the box margin plot in VMD   Jennifer Rendell
• [gmx-users] Re: generation of a box of water   Jeroen van Bemmelen
• [gmx-users] g_gyrate   Dmitriy Golubobsky
  • [gmx-users] g_gyrate   David van der Spoel
• [gmx-users] Re: gmx-users Digest, Vol 33, Issue 67   Dmitriy Golubobsky
• [gmx-users] remd and nmr   andrea spitaleri
  • [gmx-users] remd and nmr   David van der Spoel
• [gmx-users] g_gyrate   Dmitriy Golubobsky
• [gmx-users] Keeping replica numbers consistent when restarting a replica exchange simulation   Robert Johnson
  • [gmx-users] Keeping replica numbers consistent when restarting a replica exchange simulation   Yang Ye
    • [gmx-users] Keeping replica numbers consistent when restartinga replica exch   Berk Hess
      • [gmx-users] Keeping replica numbers consistent when restartinga replica exch   Robert Johnson
• [gmx-users] g_rdf & more than 8 graph edges   chiradip chatterjee
• [gmx-users] g_rdf & more than 8 graph edges   chiradip chatterjee
• [gmx-users] Re: gmx-users Digest, Vol 33, Issue 69   Eudes Fileti
  • [gmx-users] Re: gmx-users Digest, Vol 33, Issue 69   David van der Spoel
    • [gmx-users] Re: gmx-users Digest, Vol 33, Issue 69   ravi kant
• [gmx-users] I need to string together a bunch of g_rms's   Arthur Roberts
  • [gmx-users] I need to string together a bunch of g_rms's   David van der Spoel
• [gmx-users] Calculation of the angle between planes: g_sgangle   Eudes Fileti
• [gmx-users] Re: gromacs and pH description!   Florian Haberl
  • [gmx-users] Re: gromacs and pH description!   Mark Abraham
    • [gmx-users] Re: gromacs and pH description!   David van der Spoel
      • [gmx-users] Re: gromacs and pH description!   Jay Mashl
      • [gmx-users] Re: gromacs and pH description!   David Mobley
      • [gmx-users] Re: gromacs and pH description!   Antonio Baptista
• [gmx-users] Re: gmx-users Digest, Vol 33, Issue 70   Eudes Fileti
  • [gmx-users] Re: gmx-users Digest, Vol 33, Issue 70   David van der Spoel
• [gmx-users] x2top, missing ffG43a1.n2t   Luke Pestl
• [gmx-users] SS bond   correafe at iq.usp.br
  • [gmx-users] SS bond   Mark Abraham
  • [gmx-users] SS bond   David van der Spoel
• [gmx-users] Problem running do_dssp   Afonso Duarte
• [gmx-users] protein goes out from the waterbox during MD   Eugenia Polverini
  • [gmx-users] protein goes out from the waterbox during MD   Pedro Alexandre de Araújo Gomes Lapido Loureiro
  • [gmx-users] protein goes out from the waterbox during MD   Dallas B. Warren
• [gmx-users] line input of dimensions for box margin plot VMD   Jennifer Rendell
• [gmx-users] problem running posre   andrea spitaleri
• [gmx-users] problem running posre   Alan Dodd
• [gmx-users] eneconv error   chetana baliga
  • [gmx-users] eneconv error   David van der Spoel
• [gmx-users] eneconv error   Alan Dodd
• [gmx-users] g_sorient. Only for water?   Eudes Fileti
  • [gmx-users] g_sorient. Only for water?   Berk Hess
• [gmx-users] eneconv error   chris.neale at utoronto.ca
• [gmx-users] energy components zero in double precision?   David Mobley
  • [gmx-users] energy components zero in double precision?   David van der Spoel
• [gmx-users] units of force constants in posre.itp file   Michael Brunsteiner
  • [gmx-users] units of force constants in posre.itp file   David Mobley
  • [gmx-users] units of force constants in posre.itp file   Mark Abraham
• [gmx-users] dispersion correction and heterogeneous systems   Chris Neale
  • [gmx-users] dispersion correction and heterogeneous systems   David Mobley
    • [gmx-users] dispersion correction and heterogeneous systems   David van der Spoel
• [gmx-users] g_sorient. Again.   Eudes Fileti
  • [gmx-users] g_sorient. Again.   Berk Hess
• [gmx-users] How To Adjust the Ionizataion State   nur avneet
  • [gmx-users] How To Adjust the Ionizataion State   Erik Marklund
  • [gmx-users] How To Adjust the Ionizataion State   Mark Abraham
• [gmx-users] explicit hydrogen-bond   andrea spitaleri
  • [gmx-users] explicit hydrogen-bond   Lars Schaefer
    • [gmx-users] explicit hydrogen-bond   Tsjerk Wassenaar
    • [gmx-users] explicit hydrogen-bond   andrea spitaleri
      • [gmx-users] explicit hydrogen-bond   Lars Schaefer
• [gmx-users] g_sorient to ethanol   Eudes Fileti
  • [gmx-users] g_sorient to ethanol   Berk Hess
  • [gmx-users] g_sorient to ethanol   Berk Hess
• [gmx-users] analyze an md run   Joern Lenz
  • [gmx-users] analyze an md run   Florian Haberl
• [gmx-users] Free Radicals   emra Heshmati
  • [gmx-users] Free Radicals   David van der Spoel

Last message date: Wed Jan 31 19:43:27 CEST 2007
Archived on: Wed Jan 31 19:43:43 CEST 2007

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