April 2008 Archives by thread

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Starting: Tue Apr 1 00:33:08 CEST 2008
Ending: Wed Apr 30 17:21:19 CEST 2008
Messages: 569

• [gmx-users] error with pdb2gmx when using AMBER ff in GROMACS   OZGE ENGIN
• [gmx-users] Blue Gene/P   Peter Tieleman
  • [gmx-users] Blue Gene/P   Mark Abraham
    • [gmx-users] Blue Gene/P   Peter Tieleman
      • [gmx-users] Blue Gene/P   Mark Abraham
      • [gmx-users] Blue Gene/P   Berk Hess
      • [gmx-users] Blue Gene/P   Hannes Loeffler
• [gmx-users] old patch for slow networks   Jones de Andrade
  • [gmx-users] old patch for slow networks   Carsten Kutzner
• [gmx-users] how to simulate 2 structures together   Radhika Jaswal
  • [gmx-users] how to simulate 2 structures together   Justin A. Lemkul
• [gmx-users] Problem with lipid simulations   csreddy at ncbs.res.in
  • [gmx-users] Problem with lipid simulations   patrick fuchs
• [gmx-users] Problem with lipid simulations   chris.neale at utoronto.ca
• [gmx-users] restraints or constraints over two molecules   Thomas Schlesier
  • [gmx-users] restraints or constraints over two molecules   Berk Hess
    • [gmx-users] restraints or constraints over two molecules   Eric Jakobsson
• [gmx-users] B factor and R factor   shuai lu
  • [gmx-users] B factor and R factor   Miguel Ortiz-Lombardía
• [gmx-users] Error gmxtest   Nadia Gro
  • [gmx-users] Error gmxtest   David van der Spoel
    • [gmx-users] Error gmxtest   Nadia Gro
      • [gmx-users] Error gmxtest   David van der Spoel
      • [gmx-users] Error gmxtest   Nadia Gro
      • [gmx-users] Error gmxtest   Justin A. Lemkul
• [gmx-users] topolbuild 1.1, update to an all-atoms model gromacs topology generator   Bruce Ray
• [gmx-users] how to calculate the RMSD of the peptide conformation relative to the NMR structure?   fufengliu at tju.edu.cn
  • [gmx-users] how to calculate the RMSD of the peptide conformation relative to the NMR structure?   Justin A. Lemkul
• [gmx-users] difference between pbc = full and pbc =xy   Bo Zhou
  • [gmx-users] difference between pbc = full and pbc =xy   Berk Hess
• [gmx-users] how to put two rmsd plot in one plot   Rui Li
  • [gmx-users] how to put two rmsd plot in one plot   Mark Abraham
    • [gmx-users] how to put two rmsd plot in one plot   Diego Enry
  • [gmx-users] how to put two rmsd plot in one plot   sebastien santini
    • [gmx-users] how to put two rmsd plot in one plot   Kpiwara De X-nelo
• [gmx-users] set up topology in free energy calculations   friendli
  • [gmx-users] set up topology in free energy calculations   Maik Goette
• [gmx-users] NVT and NVE   JMandumpal
• [gmx-users] Re: restraints or constraints over two molecules   Thomas Schlesier
• [gmx-users] Test-set problem with Gromacs 3.3.3   janne.hirvi at joensuu.fi
  • [gmx-users] Test-set problem with Gromacs 3.3.3   David van der Spoel
• [gmx-users] genion problem: is replacing 84 water molecules instead of 200   Subhrangshu Supakar
  • [gmx-users] genion problem: is replacing 84 water molecules instead of 200   David van der Spoel
• [gmx-users] oxygen gas parameters for simulation   vips g
  • [gmx-users] oxygen gas parameters for simulation   Justin A. Lemkul
• [gmx-users] atomtypes, parameters in file do not match parameters in manual   Andreas Kring
  • [gmx-users] atomtypes, parameters in file do not match parameters in manual   David van der Spoel
  • [gmx-users] atomtypes, parameters in file do not match parameters in manual   Mark Abraham
• [gmx-users] bilayer simulation crashes after 2 ns or 7 ns of stable runs. why does system explode   maria goranovic
  • [gmx-users] bilayer simulation crashes after 2 ns or 7 ns of stable runs. why does system explode   Justin A. Lemkul
    • [gmx-users] bilayer simulation crashes after 2 ns or 7 ns of stable runs. why does system explode   Justin A. Lemkul
      • [gmx-users] bilayer simulation crashes after 2 ns or 7 ns of stable runs. why does system explode   maria goranovic
      • [gmx-users] bilayer simulation crashes after 2 ns or 7 ns of stable runs. why does system explode   Mark Abraham
  • [gmx-users] bilayer simulation crashes after 2 ns or 7 ns of stable runs. why does system explode   weixin
• [gmx-users] angle analysis   Zuzana Benkova
  • [gmx-users] angle analysis   serdar durdagi
• [gmx-users] Re: gmx-users Digest, Vol 48, Issue 9   Collins Nganou
  • [gmx-users] Re: gmx-users Digest, Vol 48, Issue 9   Justin A. Lemkul
• [gmx-users] To the GMX developers-distance restraints   jayant james
  • [gmx-users] To the GMX developers-distance restraints   Mark Abraham
• [gmx-users] RMSD VS. parallel simulation   DeChang Li
  • [gmx-users] RMSD VS. parallel simulation   Mark Abraham
• [gmx-users] Re: RMSD VS. parallel simulation   Dechang Li
  • [gmx-users] Re: RMSD VS. parallel simulation   Mark Abraham
• [gmx-users] segmentation fault   Gitanjali tandon
  • [gmx-users] segmentation fault   Mark Abraham
• [gmx-users] Re: how to put two rmsd plot in one plot   Rui Li
• [gmx-users] NVT and NVE   Markus Miettinen
• [gmx-users] using dummy atoms   vips g
• [gmx-users] using dummy atoms   vips g
  • [gmx-users] using dummy atoms   David van der Spoel
• [gmx-users] hydrogen simulation and topology file   vips g
  • [gmx-users] hydrogen simulation and topology file   David van der Spoel
• [gmx-users] infinite molecule problem   Bo Zhou
• [gmx-users] Double or single precision   jacopo.sgrignani at unifi.it
  • [gmx-users] Double or single precision   Mark Abraham
• [gmx-users] Re: Re: RMSD VS. parallel simulation (Mark Abraham)   Dechang Li
  • [gmx-users] Re: Re: RMSD VS. parallel simulation (Mark Abraham)   Mark Abraham
• [gmx-users] How to specify conection between 2 molecule in the top file?   Frankie Montenegro
  • [gmx-users] How to specify conection between 2 molecule in the top file?   Mark Abraham
    • [gmx-users] How to specify conection between 2 molecule in the top file?   Frankie Montenegro
      • [gmx-users] How to specify conection between 2 molecule in the top file?   Mark Abraham
• [gmx-users] about tip3p water model   Rui Li
  • [gmx-users] about tip3p water model   Justin A. Lemkul
• [gmx-users] infinite molecule problem - Follow up info   Bo Zhou
  • [gmx-users] infinite molecule problem - Follow up info   Computational Structural BIology
• [gmx-users] how to control temperature   Rui Li
  • [gmx-users] how to control temperature   Mitchell Stanton-Cook
• [gmx-users] NVT and NVE   JMandumpal
• [gmx-users] (no subject)   Mahnam
  • [gmx-users] (no subject)   Justin A. Lemkul
  • [gmx-users] (no subject)   weixin
• [gmx-users] g_rmsf   SWAPNA
  • [gmx-users] g_rmsf   Mark Abraham
• [gmx-users] g msd freeze   Kateřina Hynštová
  • [gmx-users] g msd freeze   Mark Abraham
• [gmx-users] CPMD and gmx   Andrey V Golovin
  • [gmx-users] CPMD and gmx   Vasilii Artyukhov
    • [gmx-users] CPMD and gmx   Andrey V Golovin
• [gmx-users] Re: infinite molecule problem - Follow up info   Bo Zhou
• [gmx-users] Langevin Dynamic "bd-temp" parameter   simon sham
  • [gmx-users] Langevin Dynamic "bd-temp" parameter   Mark Abraham
• [gmx-users] trjconv chaged the chain names of multi-chain complex?   Liu Shiyong
  • [gmx-users] trjconv chaged the chain names of multi-chain complex?   Justin A. Lemkul
  • [gmx-users] trjconv chaged the chain names of multi-chain complex?   Mark Abraham
• [gmx-users] g msd freeze   Kateřina Hynštová
  • [gmx-users] g msd freeze   Justin A. Lemkul
• [gmx-users] AA not present in the ffG43a1.rtp   Mattia Sturlese
  • [gmx-users] AA not present in the ffG43a1.rtp   Justin A. Lemkul
  • [gmx-users] AA not present in the ffG43a1.rtp   Kukol, Andreas
• [gmx-users] mdrun exectutable   Marilisa Neri
  • [gmx-users] mdrun exectutable   David van der Spoel
  • [gmx-users] mdrun exectutable   Xavier Periole
• [gmx-users] mix solvent   Mahnam
  • [gmx-users] mix solvent   Justin A. Lemkul
• [gmx-users] continuation run in parallel with shuffle and sort option   Ananya Debnath
• [gmx-users] inconsistent shifts   Bert
  • [gmx-users] inconsistent shifts   David van der Spoel
• [gmx-users] x2top, error generating topology   Vitaly Chaban
  • [gmx-users] x2top, error generating topology   David van der Spoel
• [gmx-users] continuation run in parallel with shuffle and, sort option   Chris Neale
• [gmx-users] recognising phos group   jayant james
  • [gmx-users] recognising phos group   Tsjerk Wassenaar
• [gmx-users] recognising phos group   Tsjerk Wassenaar
  • [gmx-users] recognising phos group   jayant james
    • [gmx-users] recognising phos group   Justin A. Lemkul
• [gmx-users] re:continuation run in parallel with shuffle and sort option   Ananya Debnath
• [gmx-users] g_msd freeze   Kateřina Hynštová
  • [gmx-users] g_msd freeze   Mark Abraham
• [gmx-users] NVT and NVE   Markus Miettinen
• [gmx-users] g_angle   Zuzana Benkova
• [gmx-users] query about diferent cutoffs   Ragothaman Yennamalli
  • [gmx-users] query about diferent cutoffs   Mark Abraham
• [gmx-users] continuation run in parallel with shuffle and sort option   chris.neale at utoronto.ca
• [gmx-users] Re: x2top, error generating topology   Vitaly Chaban
• [gmx-users] Re: Free energy   David Mobley
• [gmx-users] Help improving multi core processor's speed   fabracht sdf
  • [gmx-users] Help improving multi core processor's speed   Mark Abraham
• [gmx-users] error for runing second simulation using the topology file   s lal badshah
  • [gmx-users] error for runing second simulation using the topology file   Mark Abraham
• [gmx-users] Bad .tpr or .xtc files?   Peggy Yao
  • [gmx-users] Bad .tpr or .xtc files?   Tsjerk Wassenaar
    • [gmx-users] Bad .tpr or .xtc files?   Peggy Yao
      • [gmx-users] Bad .tpr or .xtc files?   Tsjerk Wassenaar
      • [gmx-users] Bad .tpr or .xtc files?   Peggy Yao
      • [gmx-users] Bad .tpr or .xtc files?   Tsjerk Wassenaar
      • [gmx-users] Bad .tpr or .xtc files?   Peggy Yao
      • [gmx-users] Bad .tpr or .xtc files?   Mark Abraham
• [gmx-users] RE: g_angle   Kateřina Hynštová
• [gmx-users] a problem about the residence   zhuliang at tju.edu.cn
  • [gmx-users] a problem about the residence   David van der Spoel
• [gmx-users] How can I install Gromacs on Window XP?   Hero
  • [gmx-users] How can I install Gromacs on Window XP?   Mark Abraham
• [gmx-users] NVT and NVE   JMandumpal
• [gmx-users] Unit of diffusion coefficient   JMandumpal
  • [gmx-users] Unit of diffusion coefficient   David van der Spoel
• [gmx-users] Can GROMACS simulate the bond forming and breaking   Wei, Xiupeng
  • [gmx-users] Can GROMACS simulate the bond forming and breaking   Mark Abraham
• [gmx-users] call for help   曹臻
  • [gmx-users] call for help   Mark Abraham
• [gmx-users] Wrong heat capacity (water)   Andreas Kring
  • [gmx-users] Wrong heat capacity (water)   David van der Spoel
• [gmx-users] mpi error   Ragothaman Yennamalli
  • [gmx-users] mpi error   Mark Abraham
• [gmx-users] Epsilon in ffoplsaanb.itp   JMandumpal
  • [gmx-users] Epsilon in ffoplsaanb.itp   David van der Spoel
• [gmx-users] call for help about the hydration number   zhuliang at tju.edu.cn
  • [gmx-users] call for help about the hydration number   Erik Marklund
• [gmx-users] dynamic of a peptide in a mixture TFE/H2O ( 30/70 %)   Luisa Calvanese
• [gmx-users] about pull code   Yunierkis Perez Castillo
• [gmx-users] CO2.pdb   Collins Nganou
• [gmx-users] Co2.pdb   Ricardo Soares
• [gmx-users] MTH force field   Collins Nganou
  • [gmx-users] MTH force field   Mark Abraham
• [gmx-users] Help uninstall and recompiling   fabracht sdf
  • [gmx-users] Help uninstall and recompiling   Mark Abraham
• [gmx-users] a problem about the residence   zhuliang at tju.edu.cn
  • [gmx-users] a problem about the residence   L. Michel Espinoza-Fonseca
  • [gmx-users] a problem about the residence   Mark Abraham
• [gmx-users] [Fwd: a problem about the residence]   David van der Spoel
• [gmx-users] Help, cannot compile with mpi   fabracht sdf
  • [gmx-users] Help, cannot compile with mpi   Diego Enry
    • [gmx-users] Help, cannot compile with mpi   Florian Dommert
    • [gmx-users] Help, cannot compile with mpi   Florian Dommert
      • [gmx-users] Help, cannot compile with mpi   Martin Höfling
• [gmx-users] Re: gmx-users Digest, Vol 48, Issue 24   Bert
• [gmx-users] call for help   曹臻
• [gmx-users] How to heat a system and equilibrate it?   shuai lu
  • [gmx-users] How to heat a system and equilibrate it?   Mark Abraham
• [gmx-users] Molecular dynamics of N-linked glycans in GROMACS   bosis at post.tau.ac.il
• [gmx-users] cholesterol distortion   Jian Dai
  • [gmx-users] cholesterol distortion   Mark Abraham
  • [gmx-users] cholesterol distortion   Steffen Wolf
• [gmx-users] How to heat a system and equilibrate it?   Vitaly Chaban
• [gmx-users] How to heat a system and equilibrate it?   shuai lu
  • [gmx-users] How to heat a system and equilibrate it?   Mark Abraham
• [gmx-users] How to heat a system and equilibrate it?   Vitaly Chaban
• [gmx-users] gromacs trajctory mmpbsa   jacopo.sgrignani at unifi.it
  • [gmx-users] gromacs trajctory mmpbsa   Justin A. Lemkul
• [gmx-users] carbon double bond parameters   Kukol, Andreas
• [gmx-users] VdW and Coulomb SR contribution to dVdl in thermodynamic integration   reich at mpikg.mpg.de
  • [gmx-users] VdW and Coulomb SR contribution to dVdl in thermodynamic integration   Berk Hess
• [gmx-users] crash with LINCS WARNING   LeeHwan-kyu
  • [gmx-users] crash with LINCS WARNING   Justin A. Lemkul
  • [gmx-users] crash with LINCS WARNING   Hannes Loeffler
• [gmx-users] Problem running grompp   Edward M
  • [gmx-users] Problem running grompp   Mark Abraham
• [gmx-users] gromacs analysis performance on a dual core suse box.   himanshu khandelia
  • [gmx-users] gromacs analysis performance on a dual core suse box.   Florian Haberl
    • [gmx-users] gromacs analysis performance on a dual core suse box.   Stéphane Téletchéa
• [gmx-users] calculating CD spectra   Marieke Schor
  • [gmx-users] calculating CD spectra   Mark Abraham
• [gmx-users] xpm2ps help   Rigden, LucianeVMello
  • [gmx-users] density and CG MARTINI force field   merc mertens
    • [gmx-users] density and CG MARTINI force field   Mark Abraham
  • [gmx-users] xpm2ps help   David van der Spoel
  • [gmx-users] xpm2ps help   Justin A. Lemkul
• [gmx-users] log file has converted into.log.swp file   Anamika Awasthi
  • [gmx-users] log file has converted into.log.swp file   Mark Abraham
    • [gmx-users] Minimize error   Ana Carolina Sodero
      • [gmx-users] Minimize error   Justin A. Lemkul
• [gmx-users] make_ndx for separating all atoms in two monolayers in a bilayer   Ananya Debnath
• [gmx-users] Unable to compile Gromacs-CVS because calcpot.c   Daniel Adriano Silva M
  • [gmx-users] Unable to compile Gromacs-CVS because calcpot.c   David van der Spoel
    • [gmx-users] Unable to compile Gromacs-CVS because calcpot.c   Daniel Adriano Silva M
• [gmx-users] Water flow through Carbon Nanotube   Hero
  • [gmx-users] how to make choices of COM in the system with freeze group   tuyusong
• [gmx-users] Why my system collapsed?   Peggy Yao
  • [gmx-users] Why my system collapsed?   Mark Abraham
• [gmx-users] about specbond   Rui Li
  • [gmx-users] about specbond   David van der Spoel
• [gmx-users] Error in topology file   s lal badshah
  • [gmx-users] Error in topology file   Kukol, Andreas
• [gmx-users] VdW and Coulomb SR contribution to dVdl in thermodynamic integration   reich at mpikg.mpg.de
• [gmx-users] How constraint structure not conformation   Anthony Cruz
• [gmx-users] how to make choices of COM in the system with freeze group?   tuyusong
  • [gmx-users] how to make choices of COM in the system with freeze group?   Yang Ye
    • [gmx-users] how to make choices of COM in the system with freeze group?   tuyusong
  • [gmx-users] how to make choices of COM in the system with freeze group?   Daniel Larsson
• [gmx-users] Conformation Search with Gromacs   Tandia, Adama
  • [gmx-users] Conformation Search with Gromacs   David van der Spoel
• [gmx-users] structure files of water and CNT   Hero
  • [gmx-users] structure files of water and CNT   Justin A. Lemkul
• [gmx-users] Warning message with 3.3.3 but not with 3.3.1   Bo Zhou
  • [gmx-users] Warning message with 3.3.3 but not with 3.3.1   David van der Spoel
    • [gmx-users] Warning message with 3.3.3 but not with 3.3.1   tuyusong
      • [gmx-users] Warning message with 3.3.3 but not with 3.3.1   David van der Spoel
      • [gmx-users] Warning message with 3.3.3 but not with 3.3.1   tuyusong
      • [gmx-users] Warning message with 3.3.3 but not with 3.3.1   David van der Spoel
• [gmx-users] structure files of water and CNT   Stiles, Christopher Dale
• [gmx-users] Warning message with 3.3.3 but not with 3.3.1   周波
  • [gmx-users] Warning message with 3.3.3 but not with 3.3.1   tuyusong
• [gmx-users] about nmr refinement   Rogelio Hernández
• [gmx-users] GTP in topology   s lal badshah
  • [gmx-users] GTP in topology   Maik Goette
  • [gmx-users] GTP in topology   Mark Abraham
  • [gmx-users] GTP in topology   Justin A. Lemkul
• [gmx-users] hydrogen bonds of peptide with lipids   maria goranovic
  • [gmx-users] hydrogen bonds of peptide with lipids   Justin A. Lemkul
    • [gmx-users] hydrogen bonds of peptide with lipids   maria goranovic
      • [gmx-users] hydrogen bonds of peptide with lipids   Justin A. Lemkul
• [gmx-users] Re: Where can I find structure files of water and CNT?   Justin A. Lemkul
• [gmx-users] Re: Wrong heat capacity (water)   Andreas Kring
• [gmx-users] reg hybrid dynamics   vidhya sankar
  • [gmx-users] reg hybrid dynamics   Mark Abraham
• [gmx-users] about fourier grid   Anamika Awasthi
  • [gmx-users] about fourier grid   Mark Abraham
  • [gmx-users] about fourier grid   Carsten Kutzner
• [gmx-users] dielectric constant   gadies at fh.huji.ac.il
  • [gmx-users] dielectric constant   Mark Abraham
    • [gmx-users] dielectric constant   David van der Spoel
• [gmx-users] FW: dynamic of a peptide in a mixture TFE/H2O ( 30/70 %)   Luisa Calvanese
  • [gmx-users] FW: dynamic of a peptide in a mixture TFE/H2O ( 30/70 %)   Justin A. Lemkul
• [gmx-users] epsilon in mdp   Vitaly Chaban
  • [gmx-users] epsilon in mdp   David van der Spoel
• [gmx-users] Concatenate TPR files after restart   Ricardo Soares
  • [gmx-users] Concatenate TPR files after restart   Justin A. Lemkul
    • [gmx-users] Concatenate TPR files after restart   Ricardo Soares
• [gmx-users] query about .xpm file   Bert
  • [gmx-users] query about .xpm file   David van der Spoel
• [gmx-users] hydrogen bonds of peptide with lipids   chris.neale at utoronto.ca
  • [gmx-users] hydrogen bonds of peptide with lipids   maria goranovic
    • [gmx-users] hydrogen bonds of peptide with lipids   Mark Abraham
• [gmx-users] GDB Debugging - GROMACS(v-3.3.3) Application with OpenMPI(v-1.2.5/v-1.2.6)   Mukesh K Srivastava
  • [gmx-users] GDB Debugging - GROMACS(v-3.3.3) Application with OpenMPI(v-1.2.5/v-1.2.6)   David van der Spoel
• [gmx-users] Conformation search!   Anthony Cruz
  • [gmx-users] Conformation search!   Mark Abraham
    • [gmx-users] Conformation search!   Anthony Cruz
      • [gmx-users] Conformation search!   Ran Friedman
      • [gmx-users] Conformation search!   Mark Abraham
      • [gmx-users] Conformation search!   Anthony Cruz
• [gmx-users] water flow in CNT   Hero
• [gmx-users] water in channel by "Dowser"   Hero
  • [gmx-users] water in channel by "Dowser"   Mark Abraham
• [gmx-users] dielectric constant   Mark Abraham
• [gmx-users] acetone parameter   JMandumpal
  • [gmx-users] acetone parameter   Mark Abraham
    • [gmx-users] acetone parameter   David van der Spoel
• [gmx-users] Re: gmx-users Digest, Vol 48, Issue 54   Mukesh K Srivastava
• [gmx-users] trjconv error   Ragothaman Yennamalli
  • [gmx-users] trjconv error   Mark Abraham
    • [gmx-users] trjconv error   Ragothaman Yennamalli
      • [gmx-users] trjconv error   Mark Abraham
      • [gmx-users] trjconv error   Ragothaman Yennamalli
• [gmx-users] residual negative charge?   Victor Manuel Rosas-Garcia
  • [gmx-users] residual negative charge?   Ran Friedman
• [gmx-users] Water in graphite plates   Hero
  • [gmx-users] Water in graphite plates   Raymond C. Fort Jr.
• [gmx-users] water can't freeze   Wei, Xiupeng
  • [gmx-users] water can't freeze   Mark Abraham
  • [gmx-users] water can't freeze   Sagittarius
  • [gmx-users] water can't freeze   Vasilii Artyukhov
    • [gmx-users] water can't freeze   Wei, Xiupeng
      • [gmx-users] water can't freeze   Erik Marklund
      • [gmx-users] water can't freeze   Ran Friedman
• [gmx-users] confirm bdd22a55a5075c60cd9dc4382a75e0b7689a1d11   munuswamy baskar
  • [gmx-users] confirm bdd22a55a5075c60cd9dc4382a75e0b7689a1d11   Mark Abraham
• [gmx-users] Error of mdrun   s lal badshah
  • [gmx-users] Error of mdrun   Mark Abraham
• [gmx-users] Discussion, weixin wants to chat   weixin
• [gmx-users] Error of mdrun   s lal badshah
  • [gmx-users] Error of mdrun   Mark Abraham
• [gmx-users] Free energy calculation   shuai lu
  • [gmx-users] Free energy calculation   Justin A. Lemkul
• [gmx-users] Free energy calculation   shuai lu
• [gmx-users] a question   shahrbanoo karbalaee
  • [gmx-users] a question   Mark Abraham
  • [gmx-users] a question   David van der Spoel
• [gmx-users] Black hole / Galactic dynamics   David van der Spoel
• [gmx-users] DCCM   Ramya Cherukupalli
  • [gmx-users] DCCM   vidhya sankar
    • [gmx-users] DCCM   Ramya Cherukupalli
      • [gmx-users] DCCM   Berk Hess
• [gmx-users] rtp file   shahrbanoo karbalaee
  • [gmx-users] rtp file   Mark Abraham
• [gmx-users] the number of water molecules   Dechang Li
  • [gmx-users] the number of water molecules   Mark Abraham
• [gmx-users] Choose of force fields of ethanol and B-DNA with 15 base pairs   Collins Nganou
  • [gmx-users] Choose of force fields of ethanol and B-DNA with 15 base pairs   Mark Abraham
    • [gmx-users] Choose of force fields of ethanol and B-DNA with 15 base pairs   Yang Ye
• [gmx-users] rtp files   shahrbanoo karbalaee
  • [gmx-users] rtp files   Tsjerk Wassenaar
• [gmx-users] free energy calculation   shuai lu
  • [gmx-users] free energy calculation   shuai lu
    • [gmx-users] free energy calculation   Maik Goette
• [gmx-users] position restraints   gadies at fh.huji.ac.il
  • [gmx-users] position restraints   Justin A. Lemkul
• [gmx-users] Re: the number of water molecules   Jian Zou
• [gmx-users] Lipid forcefield to use with TIP5P/OPLSaa   Vasilii Artyukhov
  • [gmx-users] Lipid forcefield to use with TIP5P/OPLSaa   Marc F. Lensink
    • [gmx-users] Lipid forcefield to use with TIP5P/OPLSaa   Vasilii Artyukhov
      • [gmx-users] Lipid forcefield to use with TIP5P/OPLSaa   Marc F. Lensink
• [gmx-users] 3.3.2 -b option not functioning as expected   Chris Neale
  • [gmx-users] 3.3.2 -b option not functioning as expected   David van der Spoel
  • [gmx-users] 3.3.2 -b option not functioning as expected   Berk Hess
• [gmx-users] Lipid forcefield to use with TIP5P/OPLSaa   Chris Neale
• [gmx-users] CNT   Hero
  • [gmx-users] CNT   serdar durdagi
  • [gmx-users] CNT   Justin A. Lemkul
• [gmx-users] 3.3.2 -b option not functioning as expected   Chris Neale
• [gmx-users] request for default word-wrap on the mailing list   chris.neale at utoronto.ca
  • [gmx-users] request for default word-wrap on the mailing list   Mark Abraham
• [gmx-users] Re: the number of water molecules (Jian Zou)   Dechang Li
  • [gmx-users] Re: the number of water molecules (Jian Zou)   Erik Marklund
• [gmx-users] Re: CNT   Hero
• [gmx-users] Range checking error   SeungPyo Hong
  • [gmx-users] Range checking error   Mark Abraham
• [gmx-users] Fatal error: Could not write energies   sudheer babu
  • [gmx-users] Fatal error: Could not write energies   Mark Abraham
• [gmx-users] Loop displacement calculation?   SeungPyo Hong
  • [gmx-users] Loop displacement calculation?   Mark Abraham
    • [gmx-users] Loop displacement calculation?   SeungPyo Hong
      • [gmx-users] Loop displacement calculation?   Mark Abraham
      • [gmx-users] Loop displacement calculation?   SeungPyo Hong
• [gmx-users] x2top error in CNT simulation   Hero
  • [gmx-users] x2top error in CNT simulation   David van der Spoel
• [gmx-users] Re: ice box contact water box   Mark Abraham
• [gmx-users] grompp error, invalid line in .gro file   Andreas Kring
  • [gmx-users] grompp error, invalid line in .gro file   Justin A. Lemkul
    • [gmx-users] grompp error, invalid line in .gro file   Andreas Kring
  • [gmx-users] grompp error, invalid line in .gro file   Berk Hess
    • [gmx-users] grompp error, invalid line in .gro file   Mark Abraham
    • [gmx-users] grompp error, invalid line in .gro file [SOLVED]   Andreas Kring
• [gmx-users] Re: gmx-users Digest, Vol 48, Issue 67   Jian Zou
• [gmx-users] Re: x2top error in CNT simulation (David van der Spoel)   Hero
  • [gmx-users] Re: x2top error in CNT simulation (David van der Spoel)   David van der Spoel
• [gmx-users] genbox memory problem   LuLanyuan
• [gmx-users] How to center my trimer in my simulation box.   Ilya Chorny
  • [gmx-users] How to center my trimer in my simulation box.   Xavier Periole
    • [gmx-users] How to center my trimer in my simulation box.   Ilya Chorny
      • [gmx-users] How to center my trimer in my simulation box.   Ilya Chorny
• [gmx-users] How to center my trimer in my simulation box.   Alan Dodd
  • [gmx-users] How to center my trimer in my simulation box.   Ilya Chorny
• [gmx-users] how to use GROMACS to model carbon nanotubes   Christopher Stiles
  • [gmx-users] how to use GROMACS to model carbon nanotubes   Mark Abraham
• [gmx-users] couette flow   Matthew Schneemilch
  • FW: [gmx-users] couette flow   Berk Hess
• [gmx-users] urgent question   Prettl Zsolt
  • [gmx-users] urgent question   Ran Friedman
    • [gmx-users] urgent question   Prettl Zsolt
  • [gmx-users] urgent question   Justin A. Lemkul
• [gmx-users] couette flow   Berk Hess
  • [gmx-users] couette flow   Matthew Schneemilch
    • [gmx-users] couette flow   Berk Hess
• [gmx-users] Re: Fatal error:couldnt write energies   sudheer babu
  • [gmx-users] Re: Fatal error:couldnt write energies   David van der Spoel
• [gmx-users] Fatal error:couldn't write energies   sudheer babu
• [gmx-users] Fatalerror: Couldnt write energies   sudheer babu
• [gmx-users] Entropy correction in PMF   Ángel Piñeiro
• [gmx-users] Installation problem on Mac OS-X   Zuowei Wang
• [gmx-users] Installation problem on Mac OS X   Zuowei Wang
• [gmx-users] x2top error in CNT simulation on Gromacs 3.3.3   Hero
  • [gmx-users] x2top error in CNT simulation on Gromacs 3.3.3   Christopher Stiles
• [gmx-users] Entropy correction in PMF   chris.neale at utoronto.ca
  • [gmx-users] Entropy correction in PMF   Berk Hess
    • [gmx-users] Entropy correction in PMF   Ángel Piñeiro
  • [gmx-users] Entropy correction in PMF   David Mobley
    • [gmx-users] Entropy correction in PMF   Ángel Piñeiro
• [gmx-users] A question   samad ahadian
  • [gmx-users] A question   Erik Marklund
  • [gmx-users] A question   Mark Abraham
    • [gmx-users] A question   samad ahadian
• [gmx-users] position restraints   gadies at fh.huji.ac.il
  • [gmx-users] position restraints   Mark Abraham
    • [gmx-users] position restraints   gadies at fh.huji.ac.il
      • [gmx-users] position restraints   Justin A. Lemkul
      • [gmx-users] position restraints   gadies at fh.huji.ac.il
      • [gmx-users] position restraints   Justin A. Lemkul
      • [gmx-users] position restraints   gadies at fh.huji.ac.il
      • [gmx-users] position restraints   Justin A. Lemkul
      • [gmx-users] position restraints   chandrabhan seniya
      • [gmx-users] position restraints   Justin A. Lemkul
      • [gmx-users] position restraints   chandrabhan seniya
      • [gmx-users] position restraints   Mark Abraham
      • [gmx-users] position restraints   Justin A. Lemkul
      • [gmx-users] position restraints   Mark Abraham
• [gmx-users] AFMM parameter refinement   Abu Naser
• [gmx-users] Converting OPLS parameters   Ramon Crehuet
  • [gmx-users] Converting OPLS parameters   Ran Friedman
• [gmx-users] Re: gmx-users Digest, Vol 48, Issue 82   Bonner, Carl E.
• [gmx-users] Problem with ref_t and tau_t values   Miguel Fernández Oliva
  • [gmx-users] Problem with ref_t and tau_t values   Justin A. Lemkul
• [gmx-users] Infinite system PBC and Bonded Interaction   Eudes Fileti
  • [gmx-users] Infinite system PBC and Bonded Interaction   Mark Abraham
• [gmx-users] Ion Parametrization in OPLS-AA forcefield   srinivas ramachandran
  • [gmx-users] Ion Parametrization in OPLS-AA forcefield   Mark Abraham
• [gmx-users] Defining charges: [atomtypes] vs [atoms]   Matt Wyczalkowski
  • [gmx-users] Defining charges: [atomtypes] vs [atoms]   Mark Abraham
• [gmx-users] about NMR Refinement   Rogelio Hernández
  • [gmx-users] about NMR Refinement   Mark Abraham
• [gmx-users] RE: x2top error in CNT simulation on Gromacs 3.3.3 (Christopher Stiles)   Christopher Stiles
• [gmx-users] problem running parallel simulation regarding the md log file   Alif M Latif
  • [gmx-users] problem running parallel simulation regarding the md log file   Mark Abraham
  • [gmx-users] problem running parallel simulation regarding the md log file   Berk Hess
• [gmx-users] negative eigenvalues occured and not "nearly zero"   silvester.thu
  • [gmx-users] negative eigenvalues occured and not "nearly zero"   Berk Hess
    • [gmx-users] negative eigenvalues occured and not "nearly zero"   silvester.thu
      • [gmx-users] negative eigenvalues occured and not "nearly zero"   Mark Abraham
      • [gmx-users] negative eigenvalues occured and not "nearly zero"   silvester.thu
      • [gmx-users] negative eigenvalues occured and not "nearly zero"   David van der Spoel
      • [gmx-users] negative eigenvalues occured and not "nearly zero"   silvester.thu
      • [gmx-users] negative eigenvalues occured and not "nearly zero"   Berk Hess
      • [gmx-users] negative eigenvalues occured and not "nearly zero"   silvester.thu
      • [gmx-users] negative eigenvalues occured and not "nearly zero"   Mark Abraham
• [gmx-users] Talk slides from the Gromacs Stanford 2008 workshop   Erik Lindahl
  • [gmx-users] Talk slides from the Gromacs Stanford 2008 workshop   Mu Yuguang (Dr)
    • [gmx-users] Talk slides from the Gromacs Stanford 2008 workshop   Satyan Sharma
    • [gmx-users] Talk slides from the Gromacs Stanford 2008 workshop   Erik Lindahl
• [gmx-users] Understanding about OPLS-aa for lipids   minnale
  • [gmx-users] Understanding about OPLS-aa for lipids   Mark Abraham
• [gmx-users] Re:Understanding about OPLS-aa lipids   minnale
  • [gmx-users] Re:Understanding about OPLS-aa lipids   Justin A. Lemkul
• [gmx-users] Re:Understanding about OPLS-aa lipids   Justin A. Lemkul
• [gmx-users] converting scp to tip4p - pdb2gmx bug?   Martin Höfling
  • [gmx-users] converting scp to tip4p - pdb2gmx bug?   Justin A. Lemkul
• [gmx-users] Unable to continue the simulation   minnale
  • [gmx-users] Unable to continue the simulation   Mark Abraham
• [gmx-users] Infinite system PBC and Bonded Interaction   Eudes Fileti
  • [gmx-users] Infinite system PBC and Bonded Interaction   Eudes Fileti
    • [gmx-users] Infinite system PBC and Bonded Interaction   Mark Abraham
• [gmx-users] help with mpirun and system exploding during heating   fabracht sdf
  • [gmx-users] help with mpirun and system exploding during heating   Justin A. Lemkul
• [gmx-users] Can any body suggest me how do I generate the initial structure with the pre-quil. membrane and the small molecules put on top of it and check the effect of UV on it?   Subhrangshu Supakar
  • [gmx-users] Can any body suggest me how do I generate the initial structure with the pre-quil. membrane and the small molecules put on top of it and check the effect of UV on it?   Mark Abraham
• [gmx-users] question   shahrbanoo karbalaee
  • [gmx-users] question   Mark Abraham
  • [gmx-users] question   David van der Spoel
• [gmx-users] question   Satyan Sharma
• [gmx-users] question   shahrbanoo karbalaee
  • [gmx-users] question   David van der Spoel
• [gmx-users] Re: gmx-users Digest, Vol 48, Issue 95   shahrbanoo karbalaee
• [gmx-users] Running simulations in different versions   sudheer babu
  • [gmx-users] Running simulations in different versions   Mark Abraham
• [gmx-users] help with gromacs install in opensuse 64b   fabracht sdf
  • [gmx-users] help with gromacs install in opensuse 64b   Diego Enry
  • [gmx-users] help with gromacs install in opensuse 64b   Justin A. Lemkul
• [gmx-users] Need help with installation on Itanium2   Vasilii Artyukhov
  • [gmx-users] Need help with installation on Itanium2   Mark Abraham
    • [gmx-users] Need help with installation on Itanium2   Vasilii Artyukhov
      • [gmx-users] Need help with installation on Itanium2   Mark Abraham
      • [gmx-users] Need help with installation on Itanium2   Vasilii Artyukhov
• [gmx-users] Re: gmx-users Digest, Vol 48, Issue 97   Jian Zou
  • [gmx-users] Re: gmx-users Digest, Vol 48, Issue 97   Mark Abraham
• [gmx-users] help with gromacs install in opensuse 64b   fabracht sdf
  • [gmx-users] help with gromacs install in opensuse 64b   Mark Abraham
• [gmx-users] syntax for switching between multiple position restraint .itp in the .top file   Low Soo Mei
  • [gmx-users] syntax for switching between multiple position restraint .itp in the .top file   Mark Abraham
  • [gmx-users] syntax for switching between multiple position restraint .itp in the .top file   Yang Ye
• [gmx-users] Polarizative models for water   Dmitri Dubov
  • [gmx-users] Polarizative models for water   David van der Spoel
    • [gmx-users] Polarizative models for water   Dmitri Dubov
      • [gmx-users] Polarizative models for water   David van der Spoel
      • [gmx-users] Polarizative models for water   Dmitri Dubov
      • [gmx-users] Polarizative models for water   David van der Spoel
• [gmx-users] Re: syntax for switching between multiple position restraint .itp in the .top file   Low Soo Mei
• [gmx-users] help with gromacs install in opensuse 64b   fabracht sdf
  • [gmx-users] help with gromacs install in opensuse 64b   Mark Abraham
    • [gmx-users] help with gromacs install in opensuse 64b   Florian Dommert
• [gmx-users] force field parameters for hydronium   Bert
  • [gmx-users] force field parameters for hydronium   Mark Abraham
    • [gmx-users] force field parameters for hydronium   Vasilii Artyukhov
      • [gmx-users] force field parameters for hydronium   David van der Spoel
      • [gmx-users] force field parameters for hydronium   Vasilii Artyukhov
• [gmx-users] Question about gcc version   Justin A. Lemkul
  • [gmx-users] Question about gcc version   David van der Spoel
    • [gmx-users] Question about gcc version   Justin A. Lemkul
      • [gmx-users] Question about gcc version   David van der Spoel
      • [gmx-users] Question about gcc version   Justin A. Lemkul
      • [gmx-users] Question about gcc version   David van der Spoel
• [gmx-users] Lincs error and explosion of the system   Egidijus Kuprusevicius
  • [gmx-users] Lincs error and explosion of the system   Justin A. Lemkul
• [gmx-users] Configure (beginner level question)   Ramadas Sunil Pophale
  • [gmx-users] Configure (beginner level question)   Florian Dommert
• [gmx-users] Configure (Beginner level question)   Ramadas Sunil Pophale
• [gmx-users] area per lipid   pragya chohan
  • [gmx-users] area per lipid   Justin A. Lemkul
    • [gmx-users] area per lipid   pragya chohan
      • [gmx-users] area per lipid   Kukol, Andreas
• [gmx-users] help regarding analysis   pragya chohan
• [gmx-users] gmxtest, error during pdb2gmx step.   SeungPyo Hong
• [gmx-users] gmx_sumi src/mdlib/rf_util.c fix   Low Soo Mei
• [gmx-users] restart run problem   sudheer babu
  • [gmx-users] restart run problem   Justin A. Lemkul
• [gmx-users] area per lipid   chris.neale at utoronto.ca
• [gmx-users] membrane stabilisation   minnale
  • [gmx-users] membrane stabilisation   Jochen Hub
• [gmx-users] Re:restart run problem   sudheer babu
  • [gmx-users] Re:restart run problem   Justin A. Lemkul
• [gmx-users] Help after gromacs installation   fabracht sdf
  • [gmx-users] Help after gromacs installation   Justin A. Lemkul
    • [gmx-users] Help after gromacs installation   Mark Abraham
• [gmx-users] a huge topology parameter c1 (angles)   Egidijus Kuprusevicius
  • [gmx-users] a huge topology parameter c1 (angles)   Mark Abraham
    • [gmx-users] a huge topology parameter c1 (angles)   David van der Spoel
• [gmx-users] g_hbond -ins   cfgauna at lab.cricyt.edu.ar
• [gmx-users] request   pragya chohan
• [gmx-users] area compressibility modulus   pragya chohan
• [gmx-users] GTP topology generation in OPLS-AA force field   Shankar Prasad Kanaujia
  • [gmx-users] GTP topology generation in OPLS-AA force field   Justin A. Lemkul
    • [gmx-users] GTP topology generation in OPLS-AA force field   TJ Piggot
• [gmx-users] upgrade version - "make distclean"?   Low Soo Mei
  • [gmx-users] upgrade version - "make distclean"?   David van der Spoel
  • [gmx-users] upgrade version - "make distclean"?   Mark Abraham
• [gmx-users] problem with g_order   pragya chohan
  • [gmx-users] problem with g_order   Ángel Piñeiro
• [gmx-users] problem with g_order   Alan Dodd
• [gmx-users] solvent insertion analysis   cfgauna at lab.cricyt.edu.ar
  • [gmx-users] solvent insertion analysis   David van der Spoel
• [gmx-users] Re: upgrade version - "make distclean"?   Low Soo Mei

Last message date: Wed Apr 30 17:21:19 CEST 2008
Archived on: Thu Nov 14 12:04:27 CET 2013

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