August 2007 Archives by thread

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Starting: Wed Aug 1 00:13:22 CEST 2007
Ending: Fri Aug 31 22:42:31 CEST 2007
Messages: 518

• [gmx-users] Parellel Gromacs   bmmothan at ucalgary.ca
  • [gmx-users] Parellel Gromacs   Xavier Periole
• [gmx-users] Calculation of the bending modulus (Kc) of bilayer using spectral intensity.   Hwankyu Lee
  • [gmx-users] Calculation of the bending modulus (Kc) of bilayer using spectral intensity.   Mark Abraham
• [gmx-users] Do you need to have the parameters numbered in order?   Mark Abraham
• [gmx-users] File input/output error:   willting
  • [gmx-users] File input/output error:   Mark Abraham
  • [gmx-users] File input/output error:   Yang Ye
• [gmx-users] Chitosan topology   Tsjerk Wassenaar
• [gmx-users] x2top & GMXLIB   Tsjerk Wassenaar
  • [gmx-users] x2top & GMXLIB   Christopher Stiles
• [gmx-users] Install GROMACS - Deb package   Rodrigo faccioli
  • [gmx-users] Install GROMACS - Deb package   Mark Abraham
  • [gmx-users] Install GROMACS - Deb package   Florian Haberl
  • [gmx-users] Install GROMACS - Deb package   Manuel Prinz
• [gmx-users] simulations using structureless surface-2   singh
• [gmx-users] simulations using structureless surface-2   Berk Hess
• [gmx-users] Parellel Gromacs   bmmothan at ucalgary.ca
  • [gmx-users] Parellel Gromacs   Xavier Periole
• [gmx-users] Parellel Gromacs   Yang Ye
• [gmx-users] problem with writing energies   aneesh chandran
  • [gmx-users] problem with writing energies   Per Larsson
• [gmx-users] Explanation of contents of md.log file requested   Brian Smith
  • [gmx-users] Explanation of contents of md.log file requested   Mark Abraham
• [gmx-users] publishing with development version of Gromacs   N-J.M. Macaluso
• [gmx-users] Free energy calculation   Александр Журавлев
  • [gmx-users] Free energy calculation   Arneh Babakhani
  • [gmx-users] Free energy calculation   David Mobley
• [gmx-users] Does Gromacs record all pairwise energies and forces?   Lee-Ping
  • [gmx-users] Does Gromacs record all pairwise energies and forces?   Mark Abraham
• [gmx-users] how to create a new molecule?   khaled barakat
  • [gmx-users] how to create a new molecule?   Mark Abraham
• [gmx-users] help   vinod kumar
  • [gmx-users] help   Mark Abraham
  • [gmx-users] help   Dallas B. Warren
• [gmx-users] How to use g_enemat ?   Keunwan Park
• [gmx-users] Hessian Matrix Doubt   Anirban Ghosh
  • [gmx-users] Hessian Matrix Doubt   Mark Abraham
  • [gmx-users] Hessian Matrix Doubt   Berk Hess
• [gmx-users] Fwd: sds topology // prodrg vs. am1-bcc // charges   Louic Vermeer
  • [gmx-users] Fwd: sds topology // prodrg vs. am1-bcc // charges   Mark Abraham
• [gmx-users] problem with pdb2gmx and ffG43a1p   Ambrish
  • [gmx-users] problem with pdb2gmx and ffG43a1p   Xavier Periole
    • [gmx-users] Re: problem with pdb2gmx and ffG43a1p   Ambrish
      • [gmx-users] Re: problem with pdb2gmx and ffG43a1p   Xavier Periole
• [gmx-users] Question about trjorder   Hwankyu Lee
  • [gmx-users] Question about trjorder   Tsjerk Wassenaar
• [gmx-users] How does g_msd calculate the deviation of diffusion coefficient?   Hu Zhongqiao
• [gmx-users] ED of protein-DNA complex   ravishk kumar
• [gmx-users] How does g_msd calculate the deviation of diffusion coefficient?   chris.neale at utoronto.ca
• [gmx-users] potential energy of specific group   taojinwuhan at sohu.com
  • [gmx-users] potential energy of specific group   Yang Ye
  • [gmx-users] potential energy of specific group   Mark Abraham
• [gmx-users] RE: How does g_msd calculate the deviation of diffusion   Hu Zhongqiao
• [gmx-users] mdrun -rerun + runedr: combo problem?   Jones de Andrade
• [gmx-users] Analysis of CNT in water solution   Christopher Stiles
  • [gmx-users] Analysis of CNT in water solution   Christopher Stiles
  • [gmx-users] Analysis of CNT in water solution   Robert Johnson
    • [gmx-users] Analysis of CNT in water solution   Christopher Stiles
• [gmx-users] Model SAMS in Gromacs   rohit gole
  • [gmx-users] Model SAMS in Gromacs   Mark Abraham
• =?GB2312?B?u9i4tDpSZTogW2dteC11c2Vyc10gcG90ZW50aQ==?= =?GB2312?B?YWwgZW5lcmd5IG9mIHNwZWNpZmljIGdyb3Vw?=   taojinwuhan at sohu.com
  • =?GB2312?B?u9i4tDpSZTogW2dteC11c2Vyc10gcG90ZW50aWFsIGVuZXJneQ==?= =?GB2312?B?IG9mIHNwZWNpZmljIGdyb3Vw?=   Yang Ye
    • =?GB2312?B?u9i4tDpSZTogW2dteC11c2Vyc10gcG90ZW50aWFsIGVuZXJneQ==?= =?GB2312?B?IG9mIHNwZWNpZmljIGdyb3Vw?=   Mark Abraham
      • =?GB2312?B?u9i4tDpSZTogW2dteC11c2Vyc10gcG90ZW50aWFsIGVuZXJneQ==?= =?GB2312?B?IG9mIHNwZWNpZmljIGdyb3Vw?=   Yang Ye
• [gmx-users] how to run parallel jobs in gromacs   Anupam Nath Jha
  • [gmx-users] how to run parallel jobs in gromacs   Erik Lindahl
    • [gmx-users] how to run parallel jobs in gromacs   Anupam Nath Jha
      • [gmx-users] how to run parallel jobs in gromacs   Erik Lindahl
  • [gmx-users] how to run parallel jobs in gromacs   Mark Abraham
    • [gmx-users] how to run parallel jobs in gromacs   Anupam Nath Jha
      • [gmx-users] how to run parallel jobs in gromacs   Mark Abraham
      • [gmx-users] how to run parallel jobs in gromacs   Diego Nolasco
  • [gmx-users] how to run parallel jobs in gromacs   Diego Nolasco
• [gmx-users] FFTW   simon sham
  • [gmx-users] FFTW   Mark Abraham
  • [gmx-users] FFTW   Erik Marklund
• [gmx-users] how to remove an energy contribution in gromacs?   Jones de Andrade
  • [gmx-users] how to remove an energy contribution in gromacs?   Mark Abraham
    • [gmx-users] how to remove an energy contribution in gromacs?   Jones de Andrade
      • [gmx-users] how to remove an energy contribution in gromacs?   Mark Abraham
  • [gmx-users] how to remove an energy contribution in gromacs?   Berk Hess
    • [gmx-users] how to remove an energy contribution in gromacs?   Jones de Andrade
      • [gmx-users] how to remove an energy contribution in gromacs?   Berk Hess
      • [gmx-users] how to remove an energy contribution in gromacs?   Xavier Periole
      • [gmx-users] how to remove an energy contribution in gromacs?   Jones de Andrade
      • [gmx-users] how to remove an energy contribution in gromacs?   Mark Abraham
      • [gmx-users] how to remove an energy contribution in gromacs?   Berk Hess
      • [gmx-users] how to remove an energy contribution in gromacs?   Xavier Periole
• [gmx-users] Re:mdrun_problem   pkmukher
  • [gmx-users] Re:mdrun_problem   Erik Marklund
  • [gmx-users] Re:mdrun_problem   Mark Abraham
• [gmx-users] Re: problem with pdb2gmx and ffG43a1p   Xavier Periole
• [gmx-users] Mutagenesis   Esther Caballero-Manrique
  • [gmx-users] Mutagenesis   Maik Goette
• [gmx-users] Timestep   Ramya Cherukupalli
  • [gmx-users] Timestep   Xavier Periole
    • [gmx-users] Timestep   Ramya Cherukupalli
      • [gmx-users] Timestep   Xavier Periole
      • [gmx-users] Timestep   Erik Lindahl
      • [gmx-users] Timestep   Ramya Cherukupalli
• [gmx-users] Article gallery   van Bemmelen
• [gmx-users] Timestep   van Bemmelen
• [gmx-users] Continuation diferent machine.   Anthony Cruz
  • [gmx-users] Continuation diferent machine.   Erik Lindahl
    • [gmx-users] Continuation diferent machine.   Anthony Cruz
      • [gmx-users] Continuation diferent machine.   Erik Lindahl
      • [gmx-users] Continuation diferent machine.   Anthony Cruz
      • [gmx-users] editconf and the placement of the center of mass   Arneh Babakhani
      • [gmx-users] editconf and the placement of the center of mass   Tsjerk Wassenaar
• [gmx-users] Constrains and TI   Maik Goette
  • [gmx-users] Constrains and TI   bmmothan at ucalgary.ca
    • [gmx-users] Using editconf to center on 0 0 0 , then using genbox   Arneh Babakhani
      • [gmx-users] Using editconf to center on 0 0 0 , then using genbox   Mark Abraham
      • [gmx-users] Using editconf to center on 0 0 0 , then using genbox   Arneh Babakhani
      • [gmx-users] Using editconf to center on 0 0 0 , then using genbox   Arneh Babakhani
      • [gmx-users] Using editconf to center on 0 0 0 , then using genbox   Dallas B. Warren
    • [gmx-users] Constrains and TI   Maik Goette
• [gmx-users] free energy perturbations and B-parameter specifications   Maik Goette
• [gmx-users] dummy atom definition prob in FEP   Maik Goette
  • [gmx-users] dummy atom definition prob in FEP   Wang Qin
    • [gmx-users] dummy atom definition prob in FEP   Maik Goette
• [gmx-users] problems with parallel mdrun   Gurpreet Singh
  • [gmx-users] problems with parallel mdrun   Mark Abraham
    • [gmx-users] problems with parallel mdrun   singh
      • [gmx-users] problems with parallel mdrun   Mark Abraham
      • [gmx-users] problems with parallel mdrun   singh
    • [gmx-users] problems with parallel mdrun   Carsten Kutzner
      • [gmx-users] problems with parallel mdrun   Mark Abraham
      • [gmx-users] RE: problems with parallel mdrun   singh
• [gmx-users] pressure scaling more than 1%   Wang Qin
  • [gmx-users] pressure scaling more than 1%   Mark Abraham
    • [gmx-users] pressure scaling more than 1%   Wang Qin
• [gmx-users] Suggestion needed for new workstation   james zhang
  • [gmx-users] Suggestion needed for new workstation   Martin Höfling
    • [gmx-users] Suggestion needed for new workstation   Florian Haberl
      • [gmx-users] Suggestion needed for new workstation   Erik Lindahl
      • [gmx-users] Suggestion needed for new workstation   Martin Höfling
      • [gmx-users] Fatal error: more tahn   Mu Yuguang (Dr)
    • [gmx-users] Suggestion needed for new workstation   Yang Ye
• [gmx-users] how to simulate a protein and a ATP molecule simultaneity?   mjduan at smail.hust.edu.cn
  • [gmx-users] how to simulate a protein and a ATP moleculesimultaneity?   Christopher Stiles
  • [gmx-users] how to simulate a protein and a ATP molecule simultaneity?   Mark Abraham
    • [gmx-users] how to simulate a protein and a ATP molecule simultaneity?   Maik Goette
• [gmx-users] g_energy and pressure   Christopher Stiles
  • [gmx-users] g_energy and pressure   Mark Abraham
• [gmx-users] publishing with development version of Gromacs   chris.neale at utoronto.ca
  • [gmx-users] publishing with development version of Gromacs   Erik Lindahl
• [gmx-users] Storage of large output files   Monika Sharma
  • [gmx-users] Storage of large output files   Mark Abraham
    • [gmx-users] Storage of large output files   Monika Sharma
  • [gmx-users] Storage of large output files   Martin Höfling
• [gmx-users] how to simulate a protein and a ATP molecule simultaneity?   mjduan at smail.hust.edu.cn
  • [gmx-users] how to simulate a protein and a ATP molecule simultaneity?   Maik Goette
• [gmx-users] Storage of large output files   Joern Lenz
• [gmx-users] how to simulate a protein and a ATP molecule simultaneity?   mjduan
  • [gmx-users] how to simulate a protein and a ATP molecule simultaneity?   Maik Goette
    • [gmx-users] how to simulate a protein and a ATP molecule simultaneity?   TJ Piggot
• [gmx-users] Storage of large output files   Alan Dodd
  • [gmx-users] Storage of large output files   Erik Marklund
• [gmx-users] Pull code with shuffle/sort options   Steve Fiedler
• [gmx-users] doing simplest simulations   Nicolas Schmidt
  • [gmx-users] doing simplest simulations   Mark Abraham
    • [gmx-users] doing simplest simulations   Nicolas Schmidt
      • [gmx-users] doing simplest simulations   Mark Abraham
• [gmx-users] add to "doing simplest simulations   Nicolas Schmidt
• [gmx-users] Re: question about free energy. Gromacs user   David Mobley
  • [gmx-users] Re: question about free energy. Gromacs user   Arneh Babakhani
    • [gmx-users] Re: question about free energy. Gromacs user   bmmothan at ucalgary.ca
      • [gmx-users] Re: question about free energy. Gromacs user   David Mobley
      • [gmx-users] Re: question about free energy. Gromacs user   Maik Goette
• [gmx-users] Pull code with shuffle/sort options   Chris Neale
  • [gmx-users] Pull code with shuffle/sort options   Steve Fiedler
• [gmx-users] a question about potential energy   taojinwuhan at sohu.com
  • [Bulk] [gmx-users] a question about potential energy   Yang Ye
  • [gmx-users] a question about potential energy   Mark Abraham
• [gmx-users] pressure scaling more than 1%   van Bemmelen
• [gmx-users] a basic question   Q733
  • [gmx-users] a basic question   Yang Ye
  • [gmx-users] a basic question   Mark Abraham
  • [gmx-users] a basic question   Yulia Einav
• [gmx-users] a basic question   Q733
• [gmx-users] a basic question   Q733
• [gmx-users] a basic question   Q733
• [gmx-users] Re: doing simplest simulations   Nicolas Schmidt
• =?GB2312?B?u9i4tDpSZTogW0J1bGtdIFtnbXgtdXNlcnNdIGEgcQ==?= =?GB2312?B?dWVzdGlvbiBhYm91dCBwb3RlbnRpYWwgZW5lcmd5?=   taojinwuhan at sohu.com
  • [Bulk] =?GB2312?B?u9i4tDpSZTogW0J1bGtdIFtnbXgtdXNlcnNdIGEgcXU=?= =?GB2312?B?ZXN0aW9uIGFib3V0IHBvdGVudGlhbCBlbmVyZ3k=?=   Yang Ye
• =?GB2312?B?u9i4tDpSZTogW0J1bGtdIFtnbXgtdXNlcnNdIGEgcQ==?= =?GB2312?B?dWVzdGlvbiBhYm91dCBwb3RlbnRpYWwgZW5lcmd5?=   taojinwuhan at sohu.com
• [gmx-users] construct lipid bilayer from a single lipid   Shanshan Qin
• [gmx-users] construct lipid bilayer from a single lipid   Shanshan Qin
• [gmx-users] construct lipid bilayer from a single lipid   Shanshan Qin
• [gmx-users] construct lipid bilayer from a single lipid   Shanshan Qin
• [gmx-users] construct lipid bilayer from single lipid (fwd)   David van der Spoel
• [gmx-users] construct lipid bilayer from a single lipid   Chris Neale
• [gmx-users] Difference between pbc=full and pbc=xyz   WU Yanbin
• [gmx-users] viewing .xvg plots in windows environment   Terry Nelson
  • [gmx-users] viewing .xvg plots in windows environment   Eric Lorent
  • [gmx-users] viewing .xvg plots in windows environment   Mark Abraham
  • [gmx-users] viewing .xvg plots in windows environment   Florian Haberl
• [gmx-users] energy minimization using double precision gromacs failed   Q733
  • [gmx-users] energy minimization using double precision gromacs failed   SeungPyo Hong
• [gmx-users] energy minimization using double precision gromacs failed   Alan Dodd
• [gmx-users] GROMACS vs. AMBER speed comparison?   SeungPyo Hong
• [gmx-users] GROMACS vs. AMBER speed comparison?   Yang Ye
  • [gmx-users] GROMACS vs. AMBER speed comparison?   Tsjerk Wassenaar
    • [gmx-users] GROMACS vs. AMBER speed comparison?   Mark Abraham
      • [gmx-users] GROMACS vs. AMBER speed comparison?   Tsjerk Wassenaar
      • [gmx-users] GROMACS vs. AMBER speed comparison?   SeungPyo Hong
• [gmx-users] how to build up fixed connections? how to simulate no electrostatics?   Nicolas Schmidt
  • [gmx-users] how to build up fixed connections? how to simulate no electrostatics?   David Mobley
    • [gmx-users] how to build up fixed connections? how to simulate no electrostatics?   Nicolas Schmidt
      • [gmx-users] how to build up fixed connections? how to simulate no electrostatics?   Mark Abraham
• [gmx-users] Principal Component Analysis   Matthias Waegele
  • [gmx-users] Principal Component Analysis   Antonio Baptista
• [gmx-users] version 3.3.1 .tpr file with version 3.2 g_order   Michael
  • [gmx-users] version 3.3.1 .tpr file with version 3.2 g_order   Tsjerk Wassenaar
• [gmx-users] stepsize too small   burkhard rammner
  • [gmx-users] stepsize too small   Per Larsson
• [gmx-users] configure: Unknown floating-point format w/IRIX?   Allen Smith
  • [gmx-users] configure: Unknown floating-point format w/IRIX?   Allen Smith
• [gmx-users] Long-term drift, crash   BON Michael
  • [gmx-users] Long-term drift, crash   Mark Abraham
• [gmx-users] a problem in the energy minimization.the   mjduan at smail.hust.edu.cn
  • [gmx-users] a problem in the energy minimization.the   Florian Haberl
• [gmx-users] a problem in the energy minimization   mjduan at smail.hust.edu.cn
  • [gmx-users] a problem in the energy minimization   Mark Abraham
• [gmx-users] The output .Gro cannot be generated   Panichakorn Jaiyong
  • [gmx-users] The output .Gro cannot be generated   Mark Abraham
• [gmx-users] GAP parameter   Osmair Vital de Oliveira
  • [gmx-users] GAP parameter   Mark Abraham
    • [gmx-users] GAP parameter   Osmair Vital de Oliveira
      • [gmx-users] GAP parameter   Mark Abraham
      • [gmx-users] GAP parameter   Osmair Vital de Oliveira
• [gmx-users] hi   vinod kumar
  • [gmx-users] hi   Mark Abraham
    • [gmx-users] hi   SeungPyo Hong
• [gmx-users] Relationship between the spetide.gro file and the #spetide.gro.1#?   huifang liu
  • [gmx-users] Relationship between the spetide.gro file and the #spetide.gro.1#?   Arun kumar
  • [gmx-users] Relationship between the spetide.gro file and the #spetide.gro.1#?   Yang Ye
• [gmx-users] RE : long-term drift and crash   BON Michael
  • [gmx-users] RE : long-term drift and crash   Mark Abraham
• [gmx-users] Re: Install problem   John Mercer
• [gmx-users] g_sas output   Triguero, Luciano O
• [gmx-users] Replica exchange method   priya priya
  • [gmx-users] Replica exchange method   Marcus Kubitzki
  • [gmx-users] Replica exchange method   Mark Abraham
• [gmx-users] Ionic liquids   Sampo Karkola
  • [gmx-users] Ionic liquids   Mark Abraham
    • [gmx-users] Ionic liquids   SeungPyo Hong
      • [gmx-users] Ionic liquids   Mark Abraham
      • [gmx-users] Ionic liquids   Sampo Karkola
      • [gmx-users] Ionic liquids   SeungPyo Hong
      • [gmx-users] Ionic liquids   Sampo Karkola
      • [gmx-users] Ionic liquids   Jones de Andrade
• [gmx-users] Potential energy contributions and total pot ener   pascal.baillod at epfl.ch
  • [gmx-users] Potential energy contributions and total pot ener   Mark Abraham
• [gmx-users] Re:   Mark Abraham
  • [gmx-users] Re:   TJ Piggot
• [gmx-users] Potential energy positive. Can be?   Eudes Fileti
  • [gmx-users] Potential energy positive. Can be?   Mark Abraham
  • [gmx-users] Re: Potential energy positive. Can be?   Eudes Fileti
    • [gmx-users] Re: Potential energy positive. Can be?   Mark Abraham
    • [gmx-users] Re: Potential energy positive. Can be?   Eudes Fileti
      • [gmx-users] Re: Potential energy positive. Can be?   Mark Abraham
• [gmx-users] how to build up fixed connections? how to simulate no electrostatics?   van Bemmelen
  • [gmx-users] how to build up fixed connections? how to simulate no electrostatics?   Erik Lindahl
• [gmx-users] Re: learning gromacs question   David van der Spoel
  • [gmx-users] Re: learning gromacs question   Mark Abraham
• [gmx-users] how to build up fixed connections? How to simulate no electrostatics?   van Bemmelen
• [gmx-users] Potential energy contributions and total pot ener (2)   pascal.baillod at epfl.ch
  • [gmx-users] Potential energy contributions and total pot ener (2)   Mark Abraham
• [gmx-users] Pull code methods?   bmmothan at ucalgary.ca
  • [gmx-users] Pull code methods?   Maik Goette
    • [gmx-users] Pull code methods?   bmmothan at ucalgary.ca
      • [gmx-users] Pull code methods?   Maik Goette
• [gmx-users] grompp -f em.mdp -c speptide.pdb -p \#spetide.top.1#\ -o speptide_empdb.tpr   huifang liu
  • [gmx-users] grompp -f em.mdp -c speptide.pdb -p \#spetide.top.1#\ -o speptide_empdb.tpr   Mark Abraham
    • [gmx-users] grompp -f em.mdp -c speptide.pdb -p \#spetide.top.1#\ -o speptide_empdb.tpr   Yang Ye
• [gmx-users] The energy minimization....   mjduan at smail.hust.edu.cn
  • [gmx-users] The energy minimization....   Mark Abraham
  • [gmx-users] The energy minimization....   Justin A. Lemkul
• [gmx-users] grompp -f em.mdp -c speptide.pdb -p \#spetide.top.1#\ -o speptide_empdb.tpr grompp -f em.mdp -c speptide.pdb -p \#spetide.top.1#\ -o speptide_empdb.tpr   chris.neale at utoronto.ca
• [gmx-users] Freeze groups and rotation   Allen Smith
• [gmx-users] About g_mdmat function   Keunwan Park
  • [gmx-users] About g_mdmat function   Mark Abraham
    • [gmx-users] About g_mdmat function   Keunwan Park
• [gmx-users] The energy minimization....   mjduan at smail.hust.edu.cn
  • [gmx-users] The energy minimization....   Mark Abraham
  • [gmx-users] The energy minimization....   Tsjerk Wassenaar
  • [gmx-users] The energy minimization....   Sampo Karkola
• [gmx-users] Replica Exchange method   priya priya
• [gmx-users] Ionic liquid parameters   micaelo at itqb.unl.pt
  • [gmx-users] Ionic liquid parameters   Sampo Karkola
    • [gmx-users] Ionic liquid parameters   Jones de Andrade
• [gmx-users] Re: Problem with trjconv with gmx3.3.1   Zhaoyang Fu
• [gmx-users] The energy minimization....   MoJie Duan
  • [gmx-users] The energy minimization....   Mark Abraham
• [gmx-users] Residue 'UNK' not found in residue topology database   Sagittarius
  • [gmx-users] Residue 'UNK' not found in residue topology database   Maik Goette
  • [gmx-users] Residue 'UNK' not found in residue topology database   Mark Abraham
  • [gmx-users] Residue 'UNK' not found in residue topology database   Dallas B. Warren
• [gmx-users] Re: Potential energy positive. Can be?   Janne Hirvi
• [gmx-users] writing xtc file from trr file   priyanka srivastava
  • [gmx-users] writing xtc file from trr file   Mark Abraham
• [gmx-users] Flexible SPC and protein potential energy contributions   pascal.baillod at epfl.ch
• [gmx-users] RF excl and protein/water potential energies   pascal.baillod at epfl.ch
• [gmx-users] The energy minimization....   MoJie Duan
  • [gmx-users] The energy minimization....   Mark Abraham
• [gmx-users] The energy minimization....   MoJie Duan
  • [gmx-users] The energy minimization....   TJ Piggot
• [gmx-users] how to get CVS version gmx?   Zhaoyang Fu
  • [gmx-users] how to get CVS version gmx?   Carsten Kutzner
    • [gmx-users] how to get CVS version gmx?   Dallas B. Warren
• [gmx-users] The energy minimization....   Alan Dodd
• [gmx-users] Generalized order parameter S2   Dilraj Lama
• [gmx-users] Re : long-term drift and crash   BON Michael
  • [gmx-users] Re : long-term drift and crash   Mark Abraham
• [gmx-users] Step size too small   Sheyore Omovie
  • [gmx-users] Step size too small   Per Larsson
    • [gmx-users] Step size too small   TJ Piggot
      • [gmx-users] Step size too small   Erik Marklund
• [gmx-users] Pressure coupling and tau_p values   toma0052
• [gmx-users] job magic number in MXMPI_MAGIC   Sheyore Omovie
  • [gmx-users] job magic number in MXMPI_MAGIC   Mark Abraham
• [gmx-users] Re: \[gmx\-users\] The energy minimization\.\.\.\. (fwd)   TJ Piggot
• [gmx-users] Pressure coupling and tau_p values   chris.neale at utoronto.ca
• [gmx-users] Re: \\[gmx\\-users\\] The energy minimization\\.\\.\\.\\.   TJ Piggot
• [gmx-users] lipid simulations   Anupam Nath Jha
• [gmx-users] lipid simulations   chris.neale at utoronto.ca
  • [gmx-users] lipid simulations   Anupam Nath Jha
• [gmx-users] lipid simulations   Chris Neale
  • [gmx-users] lipid simulations   Syma Khalid
  • [gmx-users] lipid simulations   priyanka srivastava
• [gmx-users] Restart   Mark Zottola
  • [gmx-users] Restart   Dilraj Lama
    • [gmx-users] Restart   Mark Zottola
      • [gmx-users] Restart   David van der Spoel
      • [gmx-users] Restart   Alok
  • [gmx-users] Restart   Mark Abraham
• [gmx-users] Error using double precision   edvin.erdtman at nat.oru.se
  • [gmx-users] Error using double precision   David van der Spoel
• [gmx-users] Error using double precision   edvin.erdtman at nat.oru.se
  • [gmx-users] Error using double precision   Mark Abraham
  • [gmx-users] Error using double precision   David van der Spoel
• [gmx-users] Error using double precision   edvin.erdtman at nat.oru.se
  • [gmx-users] Error using double precision   David van der Spoel
• [gmx-users] Error using double precision   edvin.erdtman at nat.oru.se
  • [gmx-users] Error using double precision   Mark Abraham
  • [gmx-users] Error using double precision   David van der Spoel
• [gmx-users] topolbuild: attempt at a Gromacs topology builder added to Gromacs user contributed software   Bruce Ray
• [gmx-users] [Fwd: gromacs-gaussian interface compilation - HOW-TO?]   David van der Spoel
• [gmx-users] Re: gromacs-gaussian interface compilation - HOW-TO?   Erik Lindahl
• [gmx-users] nstlist with vdw only   Nicolas Schmidt
  • [gmx-users] nstlist with vdw only   Erik Lindahl
    • [gmx-users] nstlist with vdw only   Nicolas Schmidt
      • [gmx-users] nstlist with vdw only   Erik Lindahl
• [gmx-users] PME or SPME?   Jones de Andrade
  • [gmx-users] PME or SPME?   Mark Abraham
    • [gmx-users] PME or SPME?   Erik Lindahl
• [gmx-users] Residue abbreviation list with explanations   Sagittarius
  • [gmx-users] Residue abbreviation list with explanations   Mark Abraham
    • [gmx-users] Residue abbreviation list with explanations   Dallas B. Warren
      • [gmx-users] Residue abbreviation list with explanations   Sagittarius
      • [gmx-users] Residue abbreviation list with explanations   Dallas B. Warren
    • [gmx-users] Residue abbreviation list with explanations   Sagittarius
• [gmx-users] RE : long-term drift and crash   BON Michael
  • [gmx-users] RE : long-term drift and crash   Stéphane Téletchéa
    • [gmx-users] RE : long-term drift and crash   David van der Spoel
  • [gmx-users] RE : long-term drift and crash   Mark Abraham
• [gmx-users] Can the g_sas in the gmx3.3.1 give correct resarea and atomarea?   Hu Zhongqiao
  • [gmx-users] Can the g_sas in the gmx3.3.1 give correct resarea andatomarea?   Berk Hess
• [gmx-users] Step size too small   Sheyore Omovie
• [gmx-users] Re: Gromacs for AMD Opteron   Erik Lindahl
• [gmx-users] Can I convert Amber (.prepin) into Gromacs (.itp) topology?   SeungPyo Hong
  • [gmx-users] Can I convert Amber (.prepin) into Gromacs (.itp) topology?   Florian Haberl
    • [gmx-users] Can I convert Amber (.prepin) into Gromacs (.itp) topology?   SeungPyo Hong
• [gmx-users] How to make grids in lipid bilayer (to measure contour length)   Hwankyu Lee
• [gmx-users] Joining peptide chains using Gromacs   Grace Mugumbate
  • [gmx-users] Joining peptide chains using Gromacs   Mark Abraham
• [gmx-users] error regarding NA+ atom   vijay kumar hinge vijay
  • [gmx-users] error regarding NA+ atom   Justin A. Lemkul
  • [gmx-users] error regarding NA+ atom   Mark Abraham
• [gmx-users] Re: error regarding NA+ atom (vijay kumar hinge vijay)   Bruce Milne
• [gmx-users] A very Basic query   priyanka srivastava
  • [gmx-users] A very Basic query   Venky Krishna
    • [gmx-users] A very Basic query   Mark Abraham
      • [gmx-users] A very Basic query   priyanka srivastava
• [gmx-users] problem regarding the aspartic acid representation   gurpreet singh
  • [gmx-users] problem regarding the aspartic acid representation   Tsjerk Wassenaar
• [gmx-users] RE: error regarding NA+ atom (vijay kumar hinge vijay)   Alan Chen
• [gmx-users] [Fwd: pdb UNK residue]   Mark Abraham
  • [gmx-users] [Fwd: pdb UNK residue]   Dallas B. Warren
  • [gmx-users] [Fwd: pdb UNK residue]   Mark Abraham
• [gmx-users] problem in recognising the atom type   gurpreet singh
  • [gmx-users] problem in recognising the atom type   Mark Abraham
    • [gmx-users] problem in recognising the atom type   gurpreet singh
      • [gmx-users] problem in recognising the atom type   David van der Spoel
      • [gmx-users] problem in recognising the atom type   Mark Abraham
• [gmx-users] Re: regarding NA+atom type   Bruce Milne
• [gmx-users] Incorrect number of atomtypes for dihedral (4 instead of 2 or 4)   fulya caglar
  • [gmx-users] Incorrect number of atomtypes for dihedral (4 instead of 2 or 4)   Mark Abraham
    • [gmx-users] Incorrect number of atomtypes for dihedral (4 instead of 2 or 4)   fulya caglar
      • [gmx-users] Incorrect number of atomtypes for dihedral (4 instead of 2 or 4)   Mark Abraham
      • [gmx-users] Incorrect number of atomtypes for dihedral (4 instead of 2 or 4)   fulya caglar
      • [gmx-users] Incorrect number of atomtypes for dihedral (4 instead of 2 or 4)   Mark Abraham
      • [gmx-users] Incorrect number of atomtypes for dihedral (4 instead of 2 or 4)   fulya caglar
      • [gmx-users] Incorrect number of atomtypes for dihedral (4 instead of 2 or 4)   David van der Spoel
      • [gmx-users] Incorrect number of atomtypes for dihedral (4 instead of 2 or 4)   Mark Abraham
      • [gmx-users] Incorrect number of atomtypes for dihedral (4 instead of 2 or 4)   fulya caglar
      • [gmx-users] Incorrect number of atomtypes for dihedral (4 instead of 2 or 4)   Mark Abraham
      • [gmx-users] Incorrect number of atomtypes for dihedral (4 instead of 2 or 4)   fulya caglar
• [gmx-users] Clovertown vs Woodcrest gromacs experiences?   Alan Chen
  • [gmx-users] Clovertown vs Woodcrest gromacs experiences?   Erik Lindahl
    • [gmx-users] Clovertown vs Woodcrest gromacs experiences?   Ansgar Esztermann
      • [gmx-users] Clovertown vs Woodcrest gromacs experiences?   Erik Lindahl
• [gmx-users] generation of the pdb file   Shura Hayryan
• [gmx-users] Re: regarding NA+   Justin A. Lemkul
  • [gmx-users] Re: regarding NA+   Tsjerk Wassenaar
• [gmx-users] generation of the pdb file   Sheyore Omovie
  • [gmx-users] generation of the pdb file   Shura Hayryan
• [gmx-users] Unusual structures generated by GENCONF command and resultant minimization problem   OZGE ENGIN
  • [gmx-users] Unusual structures generated by GENCONF command and resultant minimization problem   David van der Spoel
• [gmx-users] Unusual structures generated by GENCONF command and resultant minimization problem   Alan Dodd
• [gmx-users] Formula for cosine content in essential dynamics   Steve Spronk
  • [gmx-users] Formula for cosine content in essential dynamics   Berk Hess
    • [gmx-users] Formula for cosine content in essential dynamics   Steve Spronk
      • [gmx-users] Formula for cosine content in essential dynamics   Berk Hess
      • [gmx-users] Formula for cosine content in essential dynamics   Yin Jian
      • [gmx-users] g_sas   David van der Spoel
• [gmx-users] Can the structure built by Amorphous Cell of Materials Studio be used for GROMACS inputs?   wuxiao
  • [gmx-users] Can the structure built by Amorphous Cell of Materials Studio be used for GROMACS inputs?   David van der Spoel
• [gmx-users] Incorporate two files in Gromacs   rohit gole
  • [gmx-users] Incorporate two files in Gromacs   Yang Ye
    • [gmx-users] Incorporate two files in Gromacs   rohit gole
      • [gmx-users] Incorporate two files in Gromacs   Tsjerk Wassenaar
• [gmx-users] Minimization of a box of capped tryptophan (trp)   OZGE ENGIN
  • [gmx-users] Minimization of a box of capped tryptophan (trp)   David van der Spoel
• [gmx-users] Can the structure built by Amorphous Cell of Materials Studio be used for GROMACS inputs?   chris.neale at utoronto.ca
  • [gmx-users] Using g_covar to calculate an average structure from a trajectory   Arneh Babakhani
    • [gmx-users] Using g_covar to calculate an average structure from a trajectory   David van der Spoel
• [gmx-users] Arnab is your Yaar! :)   Arnab
• [gmx-users] [Fwd: Gromacs Segmentation Fault]   David van der Spoel
• [gmx-users] g_rms: fitting to one residue whilst measuring rmsd of another   jo hanna
  • [gmx-users] g_rms: fitting to one residue whilst measuring rmsd of another   Tsjerk Wassenaar
• [gmx-users] Umbrella sampling - energy calculations   Александр Журавлев
• [gmx-users] (no subject)   Александр Журавлев
• [gmx-users] dPCA - trajectories   Fabio Affinito
  • [gmx-users] dPCA - trajectories   David van der Spoel
  • [gmx-users] dPCA - trajectories   Mark Abraham
    • [gmx-users] dPCA - trajectories   Fabio Affinito
      • [gmx-users] dPCA - trajectories   David van der Spoel
      • [gmx-users] dPCA - trajectories   Mark Abraham
• [gmx-users] Alpha-Helix Dipole   gtroiano at if.usp.br
  • [gmx-users] Alpha-Helix Dipole   David van der Spoel
    • [gmx-users] Alpha-Helix Dipole   gtroiano at if.usp.br
      • [gmx-users] Alpha-Helix Dipole   David van der Spoel
      • [gmx-users] Alpha-Helix Dipole   gtroiano at if.usp.br
      • [gmx-users] Alpha-Helix Dipole   gtroiano at if.usp.br
      • [gmx-users] Alpha-Helix Dipole   David van der Spoel
      • [gmx-users] Alpha-Helix Dipole   gtroiano at if.usp.br
• [gmx-users] Appropriate command for measuring density of the whole simulation box along the trajectory   OZGE ENGIN
  • [gmx-users] Appropriate command for measuring density of the whole simulation box along the trajectory   Florian Haberl
  • [gmx-users] Appropriate command for measuring density of the whole simulation box along the trajectory   Mark Abraham
• [gmx-users] essential dynamics   Euston, Stephen R
  • [gmx-users] essential dynamics   Bert de Groot
• [gmx-users] ligand topology   Blaise Mathias-Costa
  • [gmx-users] ligand topology   Diego Enry
  • [gmx-users] ligand topology   Justin A. Lemkul
• [gmx-users] Error: number of coordinates in coordinate file XXXX.pdb does not match topology (topol.top)   Lycourgos Chiniadis
  • [gmx-users] Error: number of coordinates in coordinate fileXXXX.pdb does not match topology (topol.top)   Justin A. Lemkul
  • [gmx-users] Error: number of coordinates in coordinate file XXXX.pdb does not match topology (topol.top)   Diego Enry
• [gmx-users] how to deal with large pressure fluctuation   Q733
  • [gmx-users] how to deal with large pressure fluctuation   Tsjerk Wassenaar
• [gmx-users] gromos96 atomic radii   pascal.baillod at epfl.ch
  • [gmx-users] gromos96 atomic radii   Tsjerk Wassenaar
• [gmx-users] RF excl and protein/water potential energies   pascal.baillod at epfl.ch
  • [gmx-users] RF excl and protein/water potential energies   Berk Hess
• Fwd: Re: [gmx-users] how to deal with large pressure fluctuation   Tsjerk Wassenaar
• [gmx-users] a qiestion about using g_cluster   Li Su
  • [gmx-users] a qiestion about using g_cluster   Marcus Kubitzki
    • [gmx-users] a qiestion about using g_cluster   Li Su
      • [gmx-users] a qiestion about using g_cluster   Marcus Kubitzki
• [gmx-users] Replica Exchange / nodes   Arturas Ziemys
  • [gmx-users] Replica Exchange / nodes   Robert Johnson
    • [gmx-users] Replica Exchange / nodes   Arturas Ziemys
      • [gmx-users] Replica Exchange / nodes   Robert Johnson
• [gmx-users] Self-assembly lipid simulation   Alif M Latif
  • [gmx-users] Self-assembly lipid simulation   Syma Khalid
    • [gmx-users] Self-assembly lipid simulation   Tsjerk Wassenaar
• [gmx-users] Self-assembly lipid simulation   chris.neale at utoronto.ca
• [gmx-users] Fwd: thanks very much, I know where I am wrong   Tsjerk Wassenaar
• [gmx-users] Hi All   uki zhu
• [gmx-users] proper force fields for fullerene   serdar durdagi
  • [gmx-users] proper force fields for fullerene   Maik Goette
• [gmx-users] query regarding methanol density   Dilraj Lama
  • [gmx-users] query regarding methanol density   Mark Abraham
    • [gmx-users] query regarding methanol density   David van der Spoel
• [gmx-users] a question about make_ndx   Li Su
  • [gmx-users] a question about make_ndx   Florian Haberl
• [gmx-users] re: Self-assembly simulation of lipids   Alif M Latif
  • [gmx-users] re: Self-assembly simulation of lipids   Mark Abraham
• [gmx-users] g_order tutorial   Wesley Smith
  • [gmx-users] Correlation Matrix Calculation   Arneh Babakhani
    • [gmx-users] Correlation Matrix Calculation   Tsjerk Wassenaar
      • [gmx-users] Correlation Matrix Calculation   Arneh Babakhani
    • [gmx-users] Correlation Matrix Calculation   Florian Haberl
      • [gmx-users] Correlation Matrix Calculation   Arneh Babakhani
• [gmx-users] Hi All..one question about charge making   uki zhu
  • [gmx-users] Hi All..one question about charge making   Mark Abraham
• [gmx-users] grompp error   Dhananjay
  • [gmx-users] grompp error   David van der Spoel
    • [gmx-users] Fullerene simulation   serdar durdagi
  • [gmx-users] grompp error   Mark Abraham
• [gmx-users] what is the force function for proper dihedrals   Chris Neale
  • [gmx-users] what is the force function for proper dihedrals   Patrick Fuchs
• [gmx-users] g_bundle usage   jo hanna
• [gmx-users] Measure contour area of bilayer undulation   Hwankyu Lee
  • [gmx-users] Measure contour area of bilayer undulation   Erik Lindahl

Last message date: Fri Aug 31 22:42:31 CEST 2007
Archived on: Fri Aug 31 22:42:56 CEST 2007

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