July 2007 Archives by thread

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Starting: Sun Jul 1 00:10:41 CEST 2007
Ending: Tue Jul 31 23:05:56 CEST 2007
Messages: 567

• [gmx-users] pdb2gmx not recognizing disulfides   Russell Green
  • [gmx-users] pdb2gmx not recognizing disulfides   David van der Spoel
  • [gmx-users] pdb2gmx not recognizing disulfides   Mark Abraham
    • [gmx-users] pdb2gmx not recognizing disulfides   Russell Green
      • [gmx-users] pdb2gmx not recognizing disulfides   David van der Spoel
      • [gmx-users] pdb2gmx not recognizing disulfides   Tsjerk Wassenaar
      • [gmx-users] pdb2gmx not recognizing disulfides   Russell Green
      • [gmx-users] pdb2gmx not recognizing disulfides   Mark Abraham
      • [gmx-users] pdb2gmx not recognizing disulfides   David van der Spoel
      • [gmx-users] pdb2gmx not recognizing disulfides   Russell Green
      • [gmx-users] pdb2gmx not recognizing disulfides   David van der Spoel
      • [gmx-users] pdb2gmx not recognizing disulfides   Mark Abraham
      • [gmx-users] pdb2gmx not recognizing disulfides   Yang Ye
      • [gmx-users] pdb2gmx not recognizing disulfides   Russell Green
      • [gmx-users] pdb2gmx not recognizing disulfides   Mark Abraham
      • [gmx-users] pdb2gmx not recognizing disulfides   Russell Green
      • [gmx-users] pdb2gmx not recognizing disulfides   Mark Abraham
• [gmx-users] How to proceed with energy minimization for Normal Mode Analysis   Mark Abraham
• [gmx-users] center of mass   Mark Abraham
• [gmx-users] [Fwd: How simulate two peptides in a box?]   Mark Abraham
  • [gmx-users] [Fwd: How simulate two peptides in a box?]   Tsjerk Wassenaar
    • [gmx-users] [Fwd: How simulate two peptides in a box?]   gurpreet singh
      • [gmx-users] [Fwd: How simulate two peptides in a box?]   Mark Abraham
      • [gmx-users] [Fwd: How simulate two peptides in a box?]   gurpreet singh
      • [gmx-users] [Fwd: How simulate two peptides in a box?]   David van der Spoel
      • [gmx-users] [Fwd: How simulate two peptides in a box?]   Mark Abraham
      • [gmx-users] [Fwd: How simulate two peptides in a box?]   David van der Spoel
      • [gmx-users] [Fwd: How simulate two peptides in a box?]   gurpreet singh
      • [gmx-users] [Fwd: How simulate two peptides in a box?]   David van der Spoel
• [gmx-users] translate   mahbubeh zarrabi
  • [gmx-users] translate   David van der Spoel
• [gmx-users] Gromacs Performance mesurement   Utkal Ranjan Pradhan
  • [gmx-users] Gromacs Performance mesurement   Mark Abraham
• [gmx-users] OpenMosix and Gromacs   Ansgar Esztermann
  • [gmx-users] OpenMosix and Gromacs   Erik Lindahl
• [gmx-users] Dismantling the methyl group   Jussi Lehtola
  • [gmx-users] Dismantling the methyl group   Tsjerk Wassenaar
    • [gmx-users] Dismantling the methyl group   Jussi Lehtola
      • [gmx-users] Dismantling the methyl group   David van der Spoel
      • [gmx-users] Dismantling the methyl group   Erik Marklund
      • [gmx-users] Dismantling the methyl group   Yang Ye
      • [gmx-users] Dismantling the methyl group   Jussi Lehtola
  • [gmx-users] Dismantling the methyl group   Erik Marklund
• [gmx-users] S-S Bonds   Roberto Marchese
  • [gmx-users] S-S Bonds   Tsjerk Wassenaar
• [gmx-users] trajconv   ann rose
  • [gmx-users] trajconv   Tsjerk Wassenaar
• [gmx-users] Applying constant force between two atoms   SeungPyo Hong
  • [gmx-users] Applying constant force between two atoms   Mark Abraham
    • [gmx-users] Applying constant force between two atoms   SeungPyo Hong
• [gmx-users] What is the box type of output files?   Lam Nguyen Sy
  • [gmx-users] What is the box type of output files?   Yang Ye
    • [gmx-users] What is the box type of output files?   Lam Nguyen Sy
• [gmx-users] which tpr?   Terry Nelson
  • [gmx-users] which tpr?   David van der Spoel
  • [gmx-users] which tpr?   Mark Abraham
    • [gmx-users] which tpr?   Tsjerk Wassenaar
      • [gmx-users] which tpr?   Mark Abraham
• [gmx-users] g_wham and PMF problem   Sudha Mani Karra
  • [gmx-users] g_wham and PMF problem   Mark Abraham
    • [gmx-users] g_wham and PMF problem   Sudha Mani Karra
      • [gmx-users] g_wham and PMF problem   Mark Abraham
      • [gmx-users] g_wham and PMF problem   Arneh Babakhani
      • [gmx-users] g_wham and PMF problem   Sudha Mani Karra
      • [gmx-users] g_wham and PMF problem   Sudha Mani Karra
      • [gmx-users] g_wham and PMF problem   Lu Lanyuan
      • [gmx-users] g_wham and PMF problem   Sudha Mani Karra
      • [gmx-users] g_wham and PMF problem   Mark Abraham
      • [gmx-users] g_wham and PMF problem   gportel at gwdg.de
• [gmx-users] How to get ligand top file for oplsaa?   Rui Li
  • [gmx-users] How to get ligand top file for oplsaa?   Tsjerk Wassenaar
• [gmx-users] pb with temperature in bd (2)   BON Michael
  • [gmx-users] pb with temperature in bd (2)   Berk Hess
• [gmx-users] about truncated octahedral periodic box   Rui Li
  • [gmx-users] about truncated octahedral periodic box   Tsjerk Wassenaar
  • [gmx-users] about truncated octahedral periodic box   Yang Ye
    • [gmx-users] about truncated octahedral periodic box   Tsjerk Wassenaar
      • [gmx-users] about truncated octahedral periodic box   Yang Ye
• [gmx-users] protein-protein complex   fulya caglar
  • [gmx-users] protein-protein complex   Tsjerk Wassenaar
    • [gmx-users] protein-protein complex   fulya caglar
• [gmx-users] Fwd: Can you help me? (Problem with simulating two peptides -TAW-)   Tsjerk Wassenaar
• [gmx-users] error running position restraints   priya priya
  • [gmx-users] error running position restraints   Mark Abraham
  • [gmx-users] error running position restraints   Utkal Ranjan Pradhan
• [gmx-users] Flexible Water   gleb solomentsev
  • [gmx-users] Flexible Water   David van der Spoel
• [gmx-users] Topology builder   Bruno Horta
  • [gmx-users] Topology builder   Mark Abraham
• [gmx-users] GROMACS Summer of Code...   David van der Spoel
• [gmx-users] a question about gromacs   里梦
  • [gmx-users] a question about gromacs   Mark Abraham
• [gmx-users] about truncated octahedral periodic box   Rui Li
• [gmx-users] about truncated octahedral periodic box   Yang Ye
• [gmx-users] Regarding conversion of lipid parapeters to Amber format   naga raju
  • [gmx-users] Regarding conversion of lipid parapeters to Amber format   Mark Abraham
• [gmx-users] Normal Mode Analysis   Anirban Ghosh
  • [gmx-users] Normal Mode Analysis   Erik Lindahl
• [gmx-users] Re: Conversion of gromacs parameters to AMBER parameters   naga raju
  • [gmx-users] Re: Conversion of gromacs parameters to AMBER parameters   Mark Abraham
    • [gmx-users] Re: Conversion of gromacs parameters to AMBER parameters   Tsjerk Wassenaar
• [gmx-users] [Fwd: a question about your reply]   Mark Abraham
  • [gmx-users] [Fwd: a question about your reply]   Yang Ye
• [gmx-users] Regarding neutralization of lipid bilayer   naga raju
  • [gmx-users] Regarding neutralization of lipid bilayer   Mark Abraham
• [gmx-users] Topology builder   Bruno Horta
  • [gmx-users] Topology builder   Mark Abraham
    • [gmx-users] Topology builder   Erik Lindahl
      • [gmx-users] Topology builder   David van der Spoel
• [gmx-users] get_index   Pedro Alexandre de Araújo Gomes Lapido Loureiro
  • [gmx-users] get_index   Mark Abraham
    • [gmx-users] get_index   Pedro Alexandre de Araújo Gomes Lapido Loureiro
      • [gmx-users] get_index   David van der Spoel
      • [gmx-users] get_index   Pedro Alexandre de Araújo Gomes Lapido Loureiro
      • [gmx-users] get_index   David van der Spoel
      • [gmx-users] get_index   Pedro Alexandre de Araújo Gomes Lapido Loureiro
      • [gmx-users] get_index   David van der Spoel
      • [gmx-users] get_index   Mark Abraham
      • [gmx-users] get_index   Tsjerk Wassenaar
      • [gmx-users] get_index   Stéphane Téletchéa
• [gmx-users] ARGN   Roberto Marchese
  • [gmx-users] ARGN   David van der Spoel
• [gmx-users] OpenMosix and Gromacs   Nicolas Sapay
• [gmx-users] Error_message   pkmukher
  • [gmx-users] Error_message   Mark Abraham
• [gmx-users] Regarding Na ions   naga raju
  • [gmx-users] Regarding Na ions   Mark Abraham
    • [gmx-users] Regarding Na ions   Osmair Vital de Oliveira
  • [gmx-users] Regarding Na ions   Yang Ye
• [gmx-users] Error_message   pkmukher
  • [gmx-users] Error_message   David van der Spoel
  • [gmx-users] Error_message   Yang Ye
• [gmx-users] g_enemat   이선주
  • [gmx-users] g_enemat   Mark Abraham
• [gmx-users] Error_message   pkmukher
• [gmx-users] Nanotubes with Tubegen   Christopher Stiles
  • [gmx-users] Nanotubes with Tubegen   David van der Spoel
• [gmx-users] Error_message   Chris Neale
• [gmx-users] Re:Error_message   pkmukher
• [gmx-users] Error durign Grompp   fufengliu at tju.edu.cn
  • [gmx-users] Error durign Grompp   Mark Abraham
• [gmx-users] Re:Error_message   Yang Ye
• [gmx-users] Re: Regarding Na ions   naga raju
  • [gmx-users] Re: Regarding Na ions   Mark Abraham
• [gmx-users] Error running grompp   fufengliu at tju.edu.cn
  • [gmx-users] Error running grompp   Florian Haberl
• [gmx-users] HETATM records of crystallized water   SWAPNA
  • [gmx-users] HETATM records of crystallized water   Mark Abraham
    • [gmx-users] HETATM records of crystallized water   SWAPNA
      • [gmx-users] HETATM records of crystallized water   David van der Spoel
• [gmx-users] Problems with SA: temp not changing   Monika Sharma
  • [gmx-users] Problems with SA: temp not changing   David van der Spoel
• [gmx-users] OPLSaa+Lipid.itp question   Oliver Mirus
• [gmx-users] Another problem with Stimulated Annealing   Monika Sharma
  • [gmx-users] Another problem with Stimulated Annealing   David van der Spoel
    • [gmx-users] Another problem with Stimulated Annealing   Monika Sharma
      • [gmx-users] Another problem with Stimulated Annealing   David van der Spoel
      • [gmx-users] Another problem with Stimulated Annealing   Mark Abraham
• [gmx-users] Re: Nanotubes with Tubegen   Christopher Stiles
  • [gmx-users] Re: Nanotubes with Tubegen   David van der Spoel
• [gmx-users] Re: Nanotubes with Tubegen   Christopher Stiles
  • [gmx-users] How to create correct .gro file?   Lam Nguyen Sy
    • [gmx-users] How to create correct .gro file?   Mark Abraham
      • [gmx-users] How to create correct .gro file?   Lam Nguyen Sy
      • [gmx-users] How to create correct .gro file?   David van der Spoel
      • [gmx-users] Re: Gromacs and mpirun   Lam Nguyen Sy
      • [gmx-users] Re: Gromacs and mpirun   David van der Spoel
• [gmx-users] a recruit's quention   樊
  • [gmx-users] a recruit's quention   Mark Abraham
    • [gmx-users] a recruit's quention   David van der Spoel
• [gmx-users] Regarding POPE " H " atom type modification   naga raju
  • [gmx-users] Regarding POPE " H " atom type modification   Oliver Mirus
• [gmx-users] Some problems with tools   Дмитрий Егоров
  • [gmx-users] Some problems with tools   David van der Spoel
• [gmx-users] Re: Nanotubes with Tubegen   Christopher Stiles
  • [gmx-users] Re: Nanotubes with Tubegen   David van der Spoel
• [gmx-users] shortage of shared memory   chris.neale at utoronto.ca
  • [gmx-users] shortage of shared memory   David van der Spoel
• [gmx-users] Request for dihedral PMF test system or complete alanine dipeptide topology file   chris.neale at utoronto.ca
• [gmx-users] Calculations of area per lipid using g_sas   Hwankyu Lee
  • [gmx-users] Calculations of area per lipid using g_sas   Mark Abraham
  • [gmx-users] Calculations of area per lipid using g_sas   David van der Spoel
• [gmx-users] Lipid-protein force field problem.   zazeri
  • [gmx-users] Lipid-protein force field problem.   Mark Abraham
    • [gmx-users] Lipid-protein force field problem.   zazeri
• [gmx-users] Lipid-protein force field problem.   chris.neale at utoronto.ca
• [gmx-users] Less than Graceful   Jim Kress
  • [gmx-users] Less than Graceful   Mark Abraham
    • [gmx-users] Less than Graceful   Yang Ye
      • [gmx-users] Less than Graceful   Mark Abraham
      • [gmx-users] Less than Graceful   Berk Hess
  • [gmx-users] Less than Graceful   David van der Spoel
    • [gmx-users] Where is the origin of the coordinate system?   Lam Nguyen Sy
      • [gmx-users] Where is the origin of the coordinate system?   David van der Spoel
  • [gmx-users] Less than Graceful   Stéphane Téletchéa
• [gmx-users] Re: Regarding POPE " H " atom type modification   naga raju
  • [gmx-users] Re: Regarding POPE " H " atom type modification   Oliver Mirus
• [gmx-users] The Lennard-Jones parameter of Na+?   Hu Zhongqiao
  • [gmx-users] The Lennard-Jones parameter of Na+?   Mark Abraham
• [gmx-users] Re: Calculations of area per lipid using g_sas   Hwankyu Lee
  • [gmx-users] Re: Calculations of area per lipid using g_sas   Mark Abraham
• [gmx-users] Xenon non-bonded parameterization   Morgan Lawrenz
  • [gmx-users] Xenon non-bonded parameterization   David van der Spoel
    • [gmx-users] Xenon non-bonded parameterization   Arneh Babakhani
      • [gmx-users] Xenon non-bonded parameterization   David van der Spoel
• [gmx-users] dssp in gromacs   taveechai taveecharoenkool
  • [gmx-users] dssp in gromacs   Mark Abraham
• [gmx-users] Re: The Lennard-Jones parameter of Na+? (Mark Abraham)   Hu Zhongqiao
  • [gmx-users] Re: The Lennard-Jones parameter of Na+? (Mark Abraham)   Mark Abraham
    • [gmx-users] Re: The Lennard-Jones parameter of Na+? (Mark Abraham)   David van der Spoel
  • [gmx-users] Re: The Lennard-Jones parameter of Na+? (Mark Abraham)   Yang Ye
• [gmx-users] Re: gmx-users Digest, Vol 39, Issue 37   taveechai taveecharoenkool
  • [gmx-users] Re: gmx-users Digest, Vol 39, Issue 37   David van der Spoel
  • [gmx-users] Re: gmx-users Digest, Vol 39, Issue 37   Mark Abraham
• [gmx-users] Re: gmx-users Digest, Vol 39, Issue 37   David van der Spoel
  • [gmx-users] Replica Exchange MD ... Exchange rates   Carsten Baldauf
    • [gmx-users] Replica Exchange MD ... Exchange rates   Mark Abraham
      • [gmx-users] Replica Exchange MD ... Exchange rates   Berk Hess
    • [gmx-users] Replica Exchange MD ... Exchange rates   Mu Yuguang (Dr)
• [gmx-users] Re: Re: Calculations of area per lipid using g_sas   Hwankyu Lee
• [gmx-users] Implementing WCA with OPLS-aa   jtomlins at purdue.edu
• [gmx-users] g_desort available for download   chris.neale at utoronto.ca
  • [gmx-users] which tool to use a measure a user-defined angle in a traj   Arneh Babakhani
    • [gmx-users] which tool to use a measure a user-defined angle in a traj   Tsjerk Wassenaar
      • [gmx-users] which tool to use a measure a user-defined angle in a traj   Arneh Babakhani
      • [gmx-users] which tool to use a measure a user-defined angle in a traj   Tsjerk Wassenaar
• [gmx-users] grompp failure on BG/L   YOLANDA SMALL
• [gmx-users] segmentation fault   John Mercer
• [gmx-users] the atomic charges in ligand   Rui Li
  • [gmx-users] the atomic charges in ligand   Mark Abraham
  • [gmx-users] the atomic charges in ligand   Yang Ye
  • [gmx-users] the atomic charges in ligand   Ran Friedman
• [gmx-users] How to simulate peptide capped with ACE?   fufengliu at tju.edu.cn
  • [gmx-users] How to simulate peptide capped with ACE?   Mark Abraham
• [gmx-users] How to simulate peptide capped with ACE?   fufengliu at tju.edu.cn
• [gmx-users] How to simulate peptide capped with ACE?   Alan Dodd
• [gmx-users] Solvent_box   pkmukher
  • [gmx-users] Solvent_box   Mark Abraham
  • [gmx-users] Solvent_box   Yang Ye
    • [gmx-users] Solvent_box   Tsjerk Wassenaar
• [gmx-users] Regarding D-Alanine paramters   naga raju
  • [gmx-users] Regarding D-Alanine paramters   Mark Abraham
    • [gmx-users] Regarding D-Alanine paramters   David van der Spoel
• [gmx-users] [Fwd: conjugate gradients with constraints]   David van der Spoel
  • [gmx-users] [Fwd: conjugate gradients with constraints]   Mark Abraham
• [gmx-users] Re:Regarding D-Alanine paramters   naga raju
  • [gmx-users] Re:Regarding D-Alanine paramters   David van der Spoel
• [gmx-users] Solvent_box   pkmukher
  • [gmx-users] Solvent_box   Tsjerk Wassenaar
• [gmx-users] Fwd: GROMACS_solvent_box   Tsjerk Wassenaar
• [gmx-users] pdb file of a crystal lattice of epoxy resin   vijay kumar
  • [gmx-users] pdb file of a crystal lattice of epoxy resin   Mark Abraham
• [gmx-users] Solvent_box   pkmukher
• [gmx-users] Sphingomyelin parameters   Jian Dai
  • [gmx-users] Sphingomyelin parameters   Mark Abraham
    • [gmx-users] Sphingomyelin parameters   Tsjerk Wassenaar
• [gmx-users] g_energy doubt   Eduardo Martins Lopes
  • [gmx-users] g_energy doubt   Mark Abraham
    • [gmx-users] g_energy doubt   Yang Ye
• [gmx-users] the atomic charges in ligand   Rui Li
  • [gmx-users] the atomic charges in ligand   Yang Ye
• [gmx-users] Analytic first derivatives with respect to parameters?   Lee-Ping
  • [gmx-users] Analytic first derivatives with respect to parameters?   David van der Spoel
• [gmx-users] free energy calculation and constraint distance?   bmmothan at ucalgary.ca
  • [gmx-users] free energy calculation and constraint distance?   Maik Goette
    • [gmx-users] free energy calculation and constraint distance?   bmmothan at ucalgary.ca
• [gmx-users] Is there a way to compile gromacs with MPICH instead of LAM?   Jim Kress
  • [gmx-users] Is there a way to compile gromacs with MPICH instead of LAM?   Florian Haberl
    • [gmx-users] Is there a way to compile gromacs with MPICH instead of LAM?   David van der Spoel
• [gmx-users] problem regarding freezegrps   gurpreet singh
  • [gmx-users] problem regarding freezegrps   Erik Marklund
• [gmx-users] problem with genion   gurpreet singh
  • [gmx-users] problem with genion   gurpreet singh
    • [gmx-users] problem with genion   Tsjerk Wassenaar
      • [gmx-users] problem with genion   gurpreet singh
      • [gmx-users] problem with genion   Tsjerk Wassenaar
      • [gmx-users] problem with genion   gurpreet singh
      • [gmx-users] problem with genion   Tsjerk Wassenaar
• [gmx-users] which tool to use a measure a user-defined angle in a traj   chris.neale at utoronto.ca
  • [gmx-users] which tool to use a measure a user-defined angle in a traj   TJ Piggot
• [gmx-users] request for enhanced options for force and coord output during mdrun   chris.neale at utoronto.ca
• [gmx-users] Magic number error   zazeri
  • [gmx-users] Magic number error   Tsjerk Wassenaar
    • [gmx-users] Magic number error   zazeri
      • [gmx-users] Magic number error   Erik Lindahl
      • [gmx-users] Magic number error   David van der Spoel
• [gmx-users] Magic number error   Chris Neale
  • [gmx-users] Magic number error   zazeri
• [gmx-users] shortage of shared memory   Chris Neale
• [gmx-users] Magic number error   Chris Neale
  • [gmx-users] Magic number error   zazeri
• [gmx-users] Problems about sigma & epsilon to C6 & C12 LJ-parameters conversion   james zhang
  • [gmx-users] Problems about sigma & epsilon to C6 & C12 LJ-parameters conversion   David van der Spoel
    • [gmx-users] Problems about sigma & epsilon to C6 & C12 LJ-parameters conversion   james zhang
      • [gmx-users] Problems about sigma & epsilon to C6 & C12 LJ-parameters conversion   David van der Spoel
      • [gmx-users] Problems about sigma & epsilon to C6 & C12 LJ-parameters conversion   james zhang
      • [gmx-users] Problems about sigma & epsilon to C6 & C12 LJ-parameters conversion   David van der Spoel
      • [gmx-users] Problems about sigma & epsilon to C6 & C12 LJ-parameters conversion   james zhang
      • [gmx-users] Problems about sigma & epsilon to C6 & C12 LJ-parameters conversion   james zhang
• [gmx-users] Segmentation fault after dt=2fs   Mahnam
  • [gmx-users] Segmentation fault after dt=2fs   David van der Spoel
    • [gmx-users] Segmentation fault after dt=2fs   Mahnam
      • [gmx-users] Segmentation fault after dt=2fs   David van der Spoel
      • [gmx-users] Segmentation fault after dt=2fs   Stéphane Téletchéa
      • [gmx-users] Segmentation fault after dt=2fs   Stéphane Téletchéa
  • [gmx-users] Segmentation fault after dt=2fs   Justin Lemkul
• [gmx-users] Some Questions   Omid Yazdan
  • [gmx-users] Some Questions   David van der Spoel
• [gmx-users] Problem with genbox   Mark Zottola
  • [gmx-users] Problem with genbox   Tsjerk Wassenaar
• [gmx-users] Magic number error   Yang Ye
• [gmx-users] Implicit solvent simulation   SeungPyo Hong
  • [gmx-users] Implicit solvent simulation   Stéphane Téletchéa
    • [gmx-users] Implicit solvent simulation   SeungPyo Hong
      • [gmx-users] Implicit solvent simulation   David van der Spoel
• [gmx-users] Problems about sigma & epsilon to C6 & C12   Janne Hirvi
  • [gmx-users] Problems about sigma & epsilon to C6 & C12   james zhang
• [gmx-users] (no subject)   Frankie Montenegro
• [gmx-users] a) rlist vs rvdw/rcoulomb size confusion, and b) reduced units   Frankie Montenegro
  • [gmx-users] a) rlist vs rvdw/rcoulomb size confusion, and b) reduced units   Berk Hess
    • [gmx-users] a) rlist vs rvdw/rcoulomb size confusion, and b) reduced units   Frankie Montenegro
      • [gmx-users] a) rlist vs rvdw/rcoulomb size confusion, and b) reduced units   Berk Hess
      • [gmx-users] a) rlist vs rvdw/rcoulomb size confusion, and b) reduced units   Frankie Montenegro
      • [gmx-users] a) rlist vs rvdw/rcoulomb size confusion, and b) reduced units   Berk Hess
  • [gmx-users] a) rlist vs rvdw/rcoulomb size confusion, and b) reduced units   TJ Piggot
• [gmx-users] Regarding polymer equillibration (pressure changes )   ann rose
• [gmx-users] Regarding polymer equillibration (pressure changes)   Jeroen van Bemmelen
  • [gmx-users] Regarding polymer equillibration (pressure changes)   David van der Spoel
• [gmx-users] parameters of hydrogen peroxide H2O2   Jochen Hub
• [gmx-users] What if there are multi-definition of dihedrals?   WU Yanbin
  • [gmx-users] What if there are multi-definition of dihedrals?   Tsjerk Wassenaar
    • [gmx-users] What if there are multi-definition of dihedrals?   Yang Ye
• [gmx-users] which tool to use a measure a user-defined angle in a traj   Alan Dodd
  • [gmx-users] which tool to use a measure a user-defined angle in a traj   Arneh Babakhani
• [gmx-users] Error during grompp   Yulia Einav
  • [gmx-users] Error during grompp   David van der Spoel
  • [gmx-users] Error during grompp   Yang Ye
  • [gmx-users] Error during grompp   Dallas B. Warren
• [gmx-users] Re: gmx-users Digest, Vol 39, Issue 56   ann rose
  • [gmx-users] Re: gmx-users Digest, Vol 39, Issue 56   David van der Spoel
  • [gmx-users] Re: gmx-users Digest, Vol 39, Issue 56   Dallas B. Warren
• [gmx-users] free energy perturbations and B-parameter specifications   Soren Enemark
  • [gmx-users] free energy perturbations and B-parameter specifications   Erik Lindahl
• [gmx-users] Constrains and TI   bmmothan at ucalgary.ca
• [gmx-users] ACE parameter error in ffG53a5/6?   Mauricio Pablo Sica
• [gmx-users] Parallel Use of gromacs - parallel run is 20 times SLOWER than single node run   Jim Kress
  • [gmx-users] Parallel Use of gromacs - parallel run is 20 times SLOWER than single node run   Dallas B. Warren
  • [gmx-users] Parallel Use of gromacs - parallel run is 20 times SLOWER than single node run   Yang Ye
  • [gmx-users] Parallel Use of gromacs - parallel run is 20 times SLOWER than single node run   David van der Spoel
• [gmx-users] phosphated residue???   xi zhao
  • [gmx-users] phosphated residue???   Justin Lemkul
• [gmx-users] mdrun -rerun problems   George Abadir
  • [gmx-users] mdrun -rerun problems   Mark Abraham
    • [gmx-users] mdrun -rerun problems   George Abadir
      • [gmx-users] GAMESS-US for Hybrid QM/MM   Srivastava, Dhiraj (UMC-Student)
• [gmx-users] Runtime need of cpp.exe   Utkal Ranjan Pradhan
  • [gmx-users] Runtime need of cpp.exe   David van der Spoel
    • [gmx-users] Runtime need of cpp.exe   David van der Spoel
• [gmx-users] Runtime need of cpp.exe   Utkal Ranjan Pradhan
  • [gmx-users] Runtime need of cpp.exe   Tsjerk Wassenaar
• [gmx-users] Runtime need of cpp.exe   Utkal Ranjan Pradhan
  • [gmx-users] Runtime need of cpp.exe   Yang Ye
  • [gmx-users] Runtime need of cpp.exe   Erik Lindahl
• [gmx-users] g_rdf dual core   Osmair Vital de Oliveira
  • [gmx-users] g_rdf dual core   Mark Abraham
    • [gmx-users] g_rdf dual core   Osmair Vital de Oliveira
      • [gmx-users] g_rdf dual core   David van der Spoel
• [gmx-users] Implicit solvent simulation   TJ Piggot
  • [gmx-users] Implicit solvent simulation   Ran Friedman
    • [gmx-users] Implicit solvent simulation   TJ Piggot
      • [gmx-users] Implicit solvent simulation   Eric Jakobsson
• [gmx-users] mdp file help   Christopher Stiles
  • [gmx-users] mdp file help   james zhang
  • [gmx-users] mdp file help   Mark Abraham
• [gmx-users] Implicit solvent simulation   Moore, Jonathan (J)
  • [gmx-users] Implicit solvent simulation   Stéphane Téletchéa
    • [gmx-users] Implicit solvent simulation   David van der Spoel
      • [gmx-users] Implicit solvent simulation   Erik Lindahl
      • [gmx-users] Implicit solvent simulation   steletch at jouy.inra.fr
      • [gmx-users] Implicit solvent simulation   David van der Spoel
      • [gmx-users] Implicit solvent simulation   Erik Lindahl
      • [gmx-users] Implicit solvent simulation   Edgar Luttmann
      • [gmx-users] Implicit solvent simulation   Erik Lindahl
• [gmx-users] ACE group parameter error un ffG53a5-6?   Mauricio Pablo Sica
• [gmx-users] genion - hangs up   Rigden, LucianeVMello
  • [gmx-users] genion - hangs up   Tsjerk Wassenaar
    • [gmx-users] genion - hangs up   Rigden, LucianeVMello
• [gmx-users] Re: Parallel Use of gromacs - parallel run is 20 times SLOWER than single node run (Jim Kress)   Jim Kress
  • [gmx-users] Re: Parallel Use of gromacs - parallel run is 20 times SLOWER than single node run (Jim Kress)   Erik Lindahl
• [gmx-users] uniform dielectric constant   Mikael Lund
  • [gmx-users] uniform dielectric constant   David van der Spoel
• [gmx-users] install problem   John Mercer
  • [gmx-users] install problem   David van der Spoel
• [gmx-users] How to include Mg in the input file?   srinivas aripirala
  • [gmx-users] How to include Mg in the input file?   David van der Spoel
• [gmx-users] Re: Install problem   Ibrahim M. Moustafa
  • [gmx-users] Re: Install problem   bharat v. adkar
  • [gmx-users] Re: Install problem   Erik Lindahl
• [gmx-users] GAMESS-US for Hybrid QM/MM ( gmx-users Digest, Vol 39, Issue 71 )   Gerrit Groenhof
• [gmx-users] Minimizing a molecule not recognised by gromacs   Subhrangshu Supakar
  • [gmx-users] Minimizing a molecule not recognised by gromacs   Justin Lemkul
• [gmx-users] dummy atom definition prob in FEP   Wang Qin
  • [gmx-users] dummy atom definition prob in FEP   Stéphane Téletchéa
    • [gmx-users] dummy atom definition prob in FEP   Wang Qin
• [gmx-users] FW: rvdw   Berk Hess
  • [gmx-users] FW: rvdw   Berk Hess
    • [gmx-users] FW: rvdw   Yin Jian
      • [gmx-users] FW: rvdw   Berk Hess
      • [gmx-users] FW: rvdw   Yin Jian
      • [gmx-users] FW: rvdw   Berk Hess
      • [gmx-users] FW: rvdw   Yin Jian
      • [gmx-users] FW: rvdw   Erik Lindahl
      • [gmx-users] FW: rvdw   Yin Jian
• [gmx-users] number of coordinates in coordinate file does not match topology   Christopher Stiles
  • [gmx-users] number of coordinates in coordinate file does not match topology   David van der Spoel
• [gmx-users] question regarding restraints   gurpreet singh
  • [gmx-users] question regarding restraints   David van der Spoel
    • [gmx-users] question regarding restraints   gurpreet singh
• [gmx-users] restarting a run using tpbconv   N-J.M. Macaluso
  • [gmx-users] restarting a run using tpbconv   David van der Spoel
    • [gmx-users] restarting a run using tpbconv   N-J.M. Macaluso
      • [gmx-users] restarting a run using tpbconv   Yang Ye
      • [gmx-users] restarting a run using tpbconv   N-J.M. Macaluso
      • [gmx-users] restarting a run using tpbconv   Mark Abraham
• [gmx-users] search page does not return mailing list posts after mid april 2007   chris.neale at utoronto.ca
• [gmx-users] wat is the way to solve this prob   vijay kumar
  • [gmx-users] wat is the way to solve this prob   David van der Spoel
    • [gmx-users] wat is the way to solve this prob   David van der Spoel
• [gmx-users] CVS code needed   Kumar V
  • [gmx-users] CVS code needed   Erik Lindahl
    • [gmx-users] CVS code needed   Arun kumar
• [gmx-users] Parallel Gromacs Benchmarking with Opteron Dual-Core & Gigabit Ethernet   Kazem Jahanbakhsh
  • [gmx-users] Parallel Gromacs Benchmarking with Opteron Dual-Core & Gigabit Ethernet   Erik Lindahl
• [gmx-users] restarting a run using tpbconv   Alan Dodd
• [gmx-users] Reading xtc in fortran-90   Semen Esilevsky
• [gmx-users] Parallel Gromacs Benchmarking with Opteron Dual-Core & Gigabit Ethernet   Kazem Jahanbakhsh
  • [gmx-users] Parallel Gromacs Benchmarking with Opteron Dual-Core & Gigabit Ethernet   Erik Lindahl
    • [gmx-users] Parallel Gromacs Benchmarking with Opteron Dual-Core & Gigabit Ethernet   David van der Spoel
    • [gmx-users] Parallel Gromacs Benchmarking with Opteron Dual-Core & Gigabit Ethernet   Kazem Jahanbakhsh
      • [gmx-users] Parallel Gromacs Benchmarking with Opteron Dual-Core & Gigabit Ethernet   Erik Lindahl
      • [gmx-users] Parallel Gromacs Benchmarking with Opteron Dual-Core & Gigabit Ethernet   Yang Ye
      • [gmx-users] Parallel Gromacs Benchmarking with Opteron Dual-Core & Gigabit Ethernet   Kazem Jahanbakhsh
      • [gmx-users] Parallel Gromacs Benchmarking with Opteron Dual-Core & Gigabit Ethernet   Siavoush Dastmalchi
      • [gmx-users] Parallel Gromacs Benchmarking with Opteron Dual-Core & Gigabit Ethernet   Carsten Kutzner
• [gmx-users] augustus 1, 2007: remediated pdb format   pim schravendijk
• [gmx-users] number of coordinates in coordinate file does not match topology   Moore, Jonathan (J)
• [gmx-users] protein structural alignment   Ran Friedman
• [gmx-users] doubt in minimization   gurpreet singh
  • [gmx-users] doubt in minimization   Mark Abraham
• [gmx-users] HEME simulation   gromacs user
  • [gmx-users] HEME simulation   David van der Spoel
• [gmx-users] dummy atom definition in FEP   Wang Qin
  • [gmx-users] dummy atom definition in FEP   David Mobley
    • [gmx-users] dummy atom definition in FEP   Wang Qin
• [gmx-users] number of coordinates in coordinate file does not match topology   Christopher Stiles
  • Re: Re: [gmx-users] number of coordinates in coordinate file does notmatch topology   Александр Журавлев
• [gmx-users] number of coordinates in coordinate file does not match topology   Moore, Jonathan (J)
• [gmx-users] number of coordinates in coordinate file does not match topology   Christopher Stiles
• [gmx-users] number of coordinates in coordinate file does not match topology   Moore, Jonathan (J)
  • [gmx-users] number of coordinates in coordinate file does not match topology   SeungPyo Hong
• [gmx-users] Moments of inertia calculation using g_gyrate   George Abadir
• [gmx-users] regarding the positional restraints   aneesh chandran
  • [gmx-users] regarding the positional restraints   Mark Abraham
    • [gmx-users] regarding the positional restraints   aneesh chandran
      • [gmx-users] regarding the positional restraints   Mark Abraham
      • [gmx-users] regarding the positional restraints   Yang Ye
• [gmx-users] adding mixed solvent using genbox   shankari hariharan
  • [gmx-users] adding mixed solvent using genbox   Mark Abraham
    • [gmx-users] adding mixed solvent using genbox   David van der Spoel
  • [gmx-users] adding mixed solvent using genbox   Justin Lemkul
  • [gmx-users] adding mixed solvent using genbox   Yang Ye
• [gmx-users] N-glycosylation of a protein   Eric Lorent
  • [gmx-users] N-glycosylation of a protein   Steffen Wolf
• [gmx-users] [Fwd: Problem with Position restrained dynamics]   David van der Spoel
  • [gmx-users] [Fwd: Problem with Position restrained dynamics]   Ragothaman Yennamalli
• [gmx-users] FEP and soft-core potentials   Georgios Patargias
  • [gmx-users] FEP and soft-core potentials   David Mobley
    • [gmx-users] FEP and soft-core potentials   Georgios Patargias
      • [gmx-users] FEP and soft-core potentials   David Mobley
• [gmx-users] Carbon Nanotube Simulation Issues   Christopher Stiles
  • [gmx-users] Carbon Nanotube Simulation Issues   Robert Johnson
  • [gmx-users] Carbon Nanotube Simulation Issues   Yang Ye
• [gmx-users] Re: Carbon Nanotube Simulation Issues   Christopher Stiles
  • [gmx-users] Re: Carbon Nanotube Simulation Issues   Robert Johnson
• [gmx-users] simulations using structureless surface   singh
  • [gmx-users] simulations using structureless surface   Mark Abraham
    • [gmx-users] simulations using structureless surface-2   singh
      • [gmx-users] simulations using structureless surface-2   Mark Abraham
      • [gmx-users] simulations using structureless surface-2   Erik Marklund
      • [gmx-users] simulations using structureless surface-2   Erik Marklund
• [gmx-users] ACE parameter error in ffG53a5-6?   Mauricio Pablo Sica
  • [gmx-users] ACE parameter error in ffG53a5-6?   Tsjerk Wassenaar
• [gmx-users] Re: Carbon Nanotube Simulation Issues   Christopher Stiles
  • [gmx-users] Re: Carbon Nanotube Simulation Issues   Yang Ye
• [gmx-users] problem regarding total time elapsed   gurpreet singh
  • [gmx-users] problem regarding total time elapsed   Dallas B. Warren
  • [gmx-users] problem regarding total time elapsed   Mark Abraham
• [gmx-users] problem regarding total time elapsed   Alan Dodd
• [gmx-users] Buckingham Potential Doubt.   Jones de Andrade
• [gmx-users] dissociative water models   Mark Abraham
  • [gmx-users] dissociative water models   Erik Marklund
• [gmx-users] regarding g_energy   harpreet singh
  • [gmx-users] regarding g_energy   Mark Abraham
• [gmx-users] How Long to Equlibrate?   Mark Zottola
  • [gmx-users] How Long to Equlibrate?   Ran Friedman
  • [gmx-users] How Long to Equlibrate?   Steffen Wolf
    • [gmx-users] mdp files gromacs 3.3   Rigden, LucianeVMello
      • [gmx-users] mdp files gromacs 3.3   Yang Ye
• [gmx-users] Wasting too much time recompiling   Lee-Ping
  • [gmx-users] Wasting too much time recompiling   Lars Schaefer
    • [gmx-users] Wasting too much time recompiling   Lars Schaefer
• [gmx-users] Re: Carbon Nanotube Simulation Issues   Christopher Stiles
  • [gmx-users] Re: Carbon Nanotube Simulation Issues   Robert Johnson
  • [gmx-users] Re: Carbon Nanotube Simulation Issues   Yang Ye
    • [gmx-users] Re: Carbon Nanotube Simulation Issues   Christopher Stiles
      • [gmx-users] Re: Carbon Nanotube Simulation Issues   Yang Ye
      • [gmx-users] Re: Carbon Nanotube Simulation Issues   Christopher Stiles
      • [gmx-users] Re: Carbon Nanotube Simulation Issues   Mark Abraham
      • [gmx-users] Re: Carbon Nanotube Simulation Issues   Yang Ye
      • [gmx-users] Re: Carbon Nanotube Simulation Issues   Christopher Stiles
      • [gmx-users] Re: Carbon Nanotube Simulation Issues   Robert Johnson
      • [gmx-users] Re: Carbon Nanotube Simulation Issues   Christopher Stiles
      • [gmx-users] Re: Carbon Nanotube Simulation Issues   Yang Ye
      • [gmx-users] Re: Carbon Nanotube Simulation Issues   Robert Johnson
      • [gmx-users] Re: Carbon Nanotube Simulation Issues   Christopher Stiles
      • [gmx-users] Re: Carbon Nanotube Simulation Issues   Robert Johnson
• [gmx-users] charge_calculation   pkmukher
  • [gmx-users] charge_calculation   David Mobley
  • [gmx-users] charge_calculation   Mark Abraham
• [gmx-users] About Temperature Gradient   james zhang
  • [gmx-users] About Temperature Gradient   Mark Abraham
• [gmx-users] FEP method in protein-ligand systems   Diego Nolasco
  • [gmx-users] FEP method in protein-ligand systems   David Mobley
    • [gmx-users] FEP method in protein-ligand systems   Diego Nolasco
• [gmx-users] Atomtype:CB   pkmukher
  • [gmx-users] Atomtype:CB   Justin Lemkul
  • [gmx-users] Atomtype:CB   Mark Abraham
• [gmx-users] Help with RB dihedrals implementation   Jones de Andrade
  • [gmx-users] Help with RB dihedrals implementation   Mark Abraham
    • [gmx-users] Help with RB dihedrals implementation   Jones de Andrade
      • [gmx-users] Help with RB dihedrals implementation   Mark Abraham
      • [gmx-users] Help with RB dihedrals implementation   Jones de Andrade
• [gmx-users] Problem regarding genbox   Alif M Latif
  • [gmx-users] Problem regarding genbox   Erik Marklund
• [gmx-users] Error in pr   Dhananjay
  • [gmx-users] Error in pr   Tsjerk Wassenaar
    • [gmx-users] Error in pr   bmmothan at ucalgary.ca
      • [gmx-users] Error in pr   Mark Abraham
• [gmx-users] RE: gmx-users Digest, Vol 39, Issue 102   Lee-Ping
  • [gmx-users] RE: gmx-users Digest, Vol 39, Issue 102   Christopher Stiles
• [gmx-users] mdrun_problem   pkmukher
  • [gmx-users] mdrun_problem   Mark Abraham
• [gmx-users] C500 Configuration and parameters help   ROHIT MALSHE
  • [gmx-users] C500 Configuration and parameters help   Mark Abraham
• [gmx-users] dihedral doubts, again   Jones de Andrade
• [gmx-users] Re:mdrun_problem   pkmukher
  • [gmx-users] Re:mdrun_problem   Mark Abraham
• [gmx-users] More dihedral doubts   Jones de Andrade
• [gmx-users] GRomacs 3.3.1 parallel run   fabio tombolato
  • [gmx-users] GRomacs 3.3.1 parallel run   Florian Haberl
• [gmx-users] Chitosan topology   Antonello
  • [gmx-users] Chitosan topology   Yang Ye
• [gmx-users] Do you need to have the parameters numbered in order?   Arthur Roberts
• [gmx-users] x2top & GMXLIB   Christopher Stiles
• [gmx-users] Parellel Gromacs   bmmothan at ucalgary.ca
  • [gmx-users] Parellel Gromacs   Xavier Periole
  • [gmx-users] Parellel Gromacs   Yang Ye

Last message date: Tue Jul 31 23:05:56 CEST 2007
Archived on: Thu Nov 14 12:03:46 CET 2013

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