July 2004 Archives by thread

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Starting: Thu Jul 1 04:39:28 CEST 2004
Ending: Sat Jul 31 11:15:44 CEST 2004
Messages: 489

• [gmx-users] grompp problem with cpp -- 'does not match topology'   yli at hcg.bmb.uga.edu
• [gmx-users] Possible problem in trxio.c   Pierfrancesco Zuccato
• [gmx-users] Possible problem in trxio.c   Pierfrancesco Zuccato
  • [gmx-users] Possible problem in trxio.c   David van der Spoel
    • [gmx-users] Possible problem in trxio.c   Erik Lindahl
      • [gmx-users] Possible problem in trxio.c   Pierfrancesco Zuccato
• [gmx-users] whole/center/inbox   Bruno Pagano
  • [gmx-users] whole/center/inbox   Yiannis
• [gmx-users] pbc   Bruno Pagano
  • [gmx-users] pbc   David
• [gmx-users] Duron Benchmark   DV
• [gmx-users] Long range dispersion correction   david.evans at ulsop.ac.uk
  • [gmx-users] Long range dispersion correction   David
    • [gmx-users] Long range dispersion correction   Yiannis
      • [gmx-users] Long range dispersion correction   David van der Spoel
      • [gmx-users] Long range dispersion correction   david.evans at ulsop.ac.uk
    • [gmx-users] Long range dispersion correction   david.evans at ulsop.ac.uk
      • [gmx-users] Long range dispersion correction   David van der Spoel
      • [gmx-users] Long range dispersion correction   david.evans at ulsop.ac.uk
• [gmx-users] g_cluster: fit & rmsd groups   Nuno R. L. Ferreira
  • [gmx-users] g_cluster: fit & rmsd groups   Nuno R. L. Ferreira
  • [gmx-users] g_cluster: fit & rmsd groups   David van der Spoel
• [gmx-users] protein-lipid order   John Simms
  • [gmx-users] protein-lipid order   Xavier Periole
• [gmx-users] methanol parameters   Gunnar Schroeder
• [gmx-users] geometry is rigid, but angle energy changes   Oleg V. Stroganov
• [gmx-users] mean life time   parinald at unsl.edu.ar
  • [gmx-users] mean life time   David
• [gmx-users] Electrostatic potential of NaCl on DPPC system   Yuhua Song
• [gmx-users] problem with MD and docking   Maximiliano Figueroa Y
• [gmx-users] order parameter   Carl-Johan Högberg
• [gmx-users] order parameter   Carl-Johan Högberg
• [gmx-users] number of frames in trajectory   Berk Hess
  • [gmx-users] number of frames in trajectory   Erik Lindahl
  • [gmx-users] 2-Dimensional simulation by Gromacs   ysun at mie.utoronto.ca
    • [gmx-users] 2-Dimensional simulation by Gromacs   David
• [gmx-users] genconf or way to duplicate trajectory?   Yuhua Song
• [gmx-users] unsymmetric profile for electrostatic potential with g_potential   Yuhua Song
• [gmx-users] residue database   Dinesh Pinisetty
  • [gmx-users] residue database   David
• [gmx-users] RE: Benzene again2   nicolas Dinter
  • [gmx-users] RE: Benzene again2   David
• [gmx-users] Distance computation using g_mindist   sunita at chem.iitb.ac.in
  • [gmx-users] Distance computation using g_mindist   David
  • [gmx-users] Distance computation using g_mindist   David
• [gmx-users] residue   Dinesh Pinisetty
• [gmx-users] viscosity   parinald at unsl.edu.ar
  • [gmx-users] viscosity   David
• [gmx-users] residue database   Dinesh Pinisetty
  • [gmx-users] residue database   Xavier Periole
  • [gmx-users] reducing vdw radii   Uwe Richter
    • [gmx-users] reducing vdw radii   David van der Spoel
      • [gmx-users] Defaults in lipid.itp - please help!   Semen Esilevsky
• [gmx-users] gen_seed   prasad
  • [gmx-users] gen_seed   David
• [gmx-users] Sample Molecules Containing Silicon   Gromacs Newbie
  • [gmx-users] Sample Molecules Containing Silicon   David
• [gmx-users] how to continue simulation?   Rui Qiao
  • [gmx-users] how to continue simulation?   Dallas Warren
    • [gmx-users] how to continue simulation?   Kay Gottschalk
    • [gmx-users] cannot compile parallel version   Andre Farias de Moura
      • [gmx-users] cannot compile parallel version   David
      • [gmx-users] cannot compile parallel version   Oliver Beckstein
      • [gmx-users] cannot compile parallel version   Andre Farias de Moura
      • [gmx-users] cannot compile parallel version   David
      • [gmx-users] cannot compile parallel version   Andre Farias de Moura
      • [gmx-users] cannot compile parallel version   David
      • [gmx-users] cannot compile parallel version   Andre Farias de Moura
      • [gmx-users] cannot compile parallel version   David
      • [gmx-users] cannot compile parallel version   Oliver Beckstein
      • [gmx-users] cannot compile parallel version   Andre Farias de Moura
      • [gmx-users] cannot compile parallel version   David
  • [gmx-users] how to continue simulation?   David
    • [gmx-users] how to continue simulation?   Erik Lindahl
• [gmx-users] (no subject)   A. A. Jeyaprakash
• [gmx-users] alter the box   Dmitry Kovalsky
  • [gmx-users] alter the box   David van der Spoel
• [gmx-users] (no subject)   anwar at cdfd.org.in
• [gmx-users] Stuck at Invaccum MD   anwar at cdfd.org.in
• [gmx-users] Problem in Invaccum MD   anwar at cdfd.org.in
  • [gmx-users] Problem in Invaccum MD   Dallas Warren
  • [gmx-users] Problem in Invaccum MD   David van der Spoel
• [gmx-users] spc water questions   コウ チ
  • [gmx-users] spc water questions   David van der Spoel
• [gmx-users] Re: reducing vdw radii   Kia Balali-Mood
  • [gmx-users] Re: reducing vdw radii   David van der Spoel
• [gmx-users] Defaults in lipid.itp - please help!   Andreas Kukol
  • [gmx-users] Defaults in lipid.itp - please help!   Semen Esilevsky
    • [gmx-users] Defaults in lipid.itp - please help!   Milan Melichercik
  • [gmx-users] Defaults in lipid.itp - please help!   Semen Esilevsky
• [gmx-users] Defaults in lipid.itp - please help!   Andreas Kukol
  • [gmx-users] Defaults in lipid.itp - please help!   Semen Esilevsky
    • [gmx-users] Defaults in lipid.itp - please help!   Milan Melichercik
      • [gmx-users] Defaults in lipid.itp - please help!   Semen Esilevsky
      • [gmx-users] Defaults in lipid.itp - please help!   Milan Melichercik
      • [gmx-users] Defaults in lipid.itp - please help!   Semen Esilevsky
      • [gmx-users] Defaults in lipid.itp - please help!   Milan Melichercik
      • [gmx-users] Defaults in lipid.itp - please help!   Semen Esilevsky
• [gmx-users] problem in simulation with PLP cofactor   pankaj at cdfd.org.in
• [gmx-users] [Fwd: Regd vaccum forcefield.]   David van der Spoel
• [gmx-users] simulation with cofactor   pankaj at cdfd.org.in
  • [gmx-users] simulation with cofactor   Semen Esilevsky
• [gmx-users] Defaults in lipid.itp - please help!   Berk Hess
• [gmx-users] how to continue simulation?   Berk Hess
• [gmx-users] Help!: Some molecules go away from my bilayer.......   Sergio Garay
• [gmx-users] Help!: Some molecules go away from my bilayer.......   Sergio Garay
  • [gmx-users] PBC problem   Andrea Carotti
    • [gmx-users] PBC problem   Xavier Periole
      • [gmx-users] PBC problem   Andrea Carotti
      • [gmx-users] PBC problem   Xavier Periole
      • [gmx-users] PBC problem   Andrea Carotti
      • [gmx-users] PBC problem   David van der Spoel
      • [gmx-users] PBC problem   Andrea Carotti
      • [gmx-users] question about g_rdf   Yuhua Song
      • [gmx-users] lam-mpi question   aneamtu at iasi.mednet.ro
      • [gmx-users] lam-mpi question   Oliver Beckstein
• [gmx-users] Help!: Some molecules go away from my bilayer.......   Sergio Garay
• [gmx-users] g_sas, VdW radii   Michael Brunsteiner
  • [gmx-users] g_sas, VdW radii   David
• [gmx-users] Help ! Some molecules go away from my bilayer.....   sgaray at fbcb.unl.edu.ar
  • [gmx-users] Help ! Some molecules go away from my bilayer.....   David
• [gmx-users] Sample Molecules Containing Silicon   Gromacs Newbie
• [gmx-users] Linux binaries   Amy Petrik
  • [gmx-users] Linux binaries   David
• [gmx-users] Re: about PLP cofactor   pankaj at cdfd.org.in
  • [gmx-users] Re: about PLP cofactor   David
• [gmx-users] pressure coupling problem   raj vel
  • [gmx-users] pressure coupling problem   David van der Spoel
    • [gmx-users] pdb2gmx -ter   Raghunadha Reddy Burri
      • [gmx-users] pdb2gmx -ter   Rainer Boeckmann
      • [gmx-users] pdb2gmx -ter   Milan Melichercik
• [gmx-users] when grompp and mdrun disagree about processor numbers   fabio affinito
  • [gmx-users] when grompp and mdrun disagree about processor numbers   David van der Spoel
• [gmx-users] simulation failure   herbst at fhi-berlin.mpg.de
  • [gmx-users] simulation failure   David van der Spoel
    • [gmx-users] simulation failure   herbst at fhi-berlin.mpg.de
      • [gmx-users] simulation failure   herbst at fhi-berlin.mpg.de
      • [gmx-users] simulation failure   Erik Lindahl
• [gmx-users] Add new topologies - article ( Arlan )   Arlan Goncalves
• [gmx-users] Water molecule can't be settled   Tanos
  • [gmx-users] Water molecule can't be settled   Christopher Tran
• [gmx-users] Re: Help ! Some molecules go away from my bilayer..... (stearic acid data)   Sergio Garay
• [gmx-users] long range interactions depend on bonds ?   Michael Brunsteiner
• [gmx-users] long range interactions depend on bonds ?   Berk Hess
• [gmx-users] cannot compile   tenghl
  • [gmx-users] cannot compile   David
    • [gmx-users] cannot compile   tenghl
• [gmx-users] SS bridges   Dmitry Kovalsky
  • [gmx-users] SS bridges   David
    • [gmx-users] SS bridges   Dmitry Kovalsky
      • [gmx-users] SS bridges   Xavier Periole
• [gmx-users] Protonation states for TYR,CYS,ARG   Kamil Tamiola
  • [gmx-users] Protonation states for TYR,CYS,ARG   David
• [gmx-users] segmentation error   コウ チ
• [gmx-users] segmentation error   コウ チ
• [gmx-users] Pressure Calculation   Farshid Mostowfi
  • [gmx-users] Pressure Calculation   David
    • [gmx-users] Pressure Calculation   Farshid Mostowfi
      • [gmx-users] Pressure Calculation   David
• [gmx-users] How I can create a gromacs input file from a gamess output   Marcelo de Freitas Lima
  • [gmx-users] How I can create a gromacs input file from a gamess output   Dallas Warren
• [gmx-users] PBC problem   Berk Hess
  • [gmx-users] PBC problem   Andrea Carotti
• [gmx-users] Grompp problem?   Amy Petrik
  • [gmx-users] Grompp problem?   David
    • [gmx-users] Grompp problem?   Kay Gottschalk
• [gmx-users] Solvation causes failure of GROMPP preprocessing for Conjugate Gradients minimization?   Mark Berjanskii
  • [gmx-users] Solvation causes failure of GROMPP preprocessing for Conjugate Gradients minimization?   David
    • [gmx-users] Solvation causes failure of GROMPP preprocessing for Conjugate Gradients minimization?   Mark Berjanskii
• [gmx-users] Solvation causes failure of GROMPP preprocessing for Conjugate Gradients minimization?   Mark Berjanskii
• [gmx-users] pdb2gmx Problems   Gromacs Newbie
  • [gmx-users] pdb2gmx Problems   David
    • [gmx-users] pdb2gmx Problems   Gromacs Newbie
      • [gmx-users] pdb2gmx Problems   David
      • [gmx-users] pdb2gmx Problems   Gary
      • [gmx-users] pdb2gmx Problems   David
      • [gmx-users] pdb2gmx Problems   Gary
      • [gmx-users] pdb2gmx Problems   Dallas Warren
    • [gmx-users] Hbonds   Raghunadha Reddy Burri
      • [gmx-users] Hbonds   David van der Spoel
• [gmx-users] how to do force analysis using trajectory file?   Rui Qiao
  • [gmx-users] how to do force analysis using trajectory file?   David van der Spoel
• [gmx-users] Re:How I can create a gromacs input file from a gamess output   Arlan Gonçalves
• [gmx-users] Re: How I can create a gromacs input file from a gamess output   Ing. Vojtech Spiwok
• [gmx-users] parallel computations   fabio affinito
  • [gmx-users] parallel computations   David van der Spoel
    • [gmx-users] parallel computations   fabio affinito
• [gmx-users] Re: how to do force analysis using trajectory file?   Pim Schravendijk
  • [gmx-users] Re: how to do force analysis using trajectory file?   Pim Schravendijk
• [gmx-users] About LJ parameters: sigma/epsilon vs. c6/c12   Daejoong Kim
• [gmx-users] Re: [gmx-developers] Re: long range interactions depend on bonds ?   Michael Brunsteiner
• [gmx-users] Re: [gmx-developers] Re: long range interactions dependon bonds   Berk Hess
• [gmx-users] How I can create a gromacs input file from a gamess output (one more question)   Marcelo de Freitas Lima
  • [gmx-users] How I can create a gromacs input file from a gamess output (one more question)   Christopher Tran
• [gmx-users] how to do force analysis using trajectory file?   Berk Hess
• [gmx-users] parallel computations   Berk Hess
• [gmx-users] output unimaged trajectory?   david.evans at ulsop.ac.uk
  • [gmx-users] output unimaged trajectory?   Nuno R. L. Ferreira
    • [gmx-users] output unimaged trajectory?   david.evans at ulsop.ac.uk
      • [gmx-users] output unimaged trajectory?   Nuno R. L. Ferreira
  • [gmx-users] output unimaged trajectory?   David van der Spoel
    • [gmx-users] output unimaged trajectory?   david.evans at ulsop.ac.uk
  • [gmx-users] A question about Periodic boundary condition   tenghl
    • [gmx-users] A question about Periodic boundary condition   Tsjerk Wassenaar
• [gmx-users] ligand drifting   A. A. Jeyaprakash
  • [gmx-users] ligand drifting   Nuno R. L. Ferreira
  • [gmx-users] ligand drifting   David
• [gmx-users] PDB2GMX Not Using .itp File   Gromacs Newbie
• [gmx-users] freezing atoms does not speed up calculation   Sung-Joo Lee
• [gmx-users] PS. freeze group speed up   Sung-Joo Lee
• [gmx-users] pdb   Dinesh Pinisetty
  • [gmx-users] pdb   David
  • [gmx-users] pdb   Xavier Periole
• [gmx-users] how can I set the value of bd-fric   Hanming
• [gmx-users] mdrun stopped undeservedly   yinjun
  • [gmx-users] mdrun stopped undeservedly   David
• [gmx-users] Why the carbons in the benzene can not keep in the plane when i do the bd?   Hanming
• [gmx-users] Re: How I can create a gromacs input file from a gamess output (one more question)   Ing. Vojtech Spiwok
• [gmx-users] how can I set the value of bd-fric   Berk Hess
• [gmx-users] output unimaged trajectory?   Berk Hess
  • [gmx-users] output unimaged trajectory?   david.evans at ulsop.ac.uk
    • [gmx-users] output unimaged trajectory?   Nuno R. L. Ferreira
• [gmx-users] em.mdp   juraina at um.edu.my
  • [gmx-users] em.mdp   Nuno R. L. Ferreira
• [gmx-users] output unimaged trajectory?   Berk Hess
• [gmx-users] Why the carbons in the benzene can not keep in theplane when i d   Berk Hess
• [gmx-users] em.mdp   Luca Mollica
• [gmx-users] Another boring imaging question   david.evans at ulsop.ac.uk
• [gmx-users] PRODRG2 output-why only polar hydrogens?   A. A. Jeyaprakash
  • [gmx-users] PRODRG2 output-why only polar hydrogens?   Nuno R. L. Ferreira
• [gmx-users] Another boring imaging question   Berk Hess
• [gmx-users] trjconv   Kay Gottschalk
  • [gmx-users] trjconv   Peter Zoon
    • [gmx-users] trjconv   Kay Gottschalk
  • [gmx-users] trjconv   David van der Spoel
    • [gmx-users] trjconv   Kay Gottschalk
  • [gmx-users] trjconv   david.evans at ulsop.ac.uk
• [gmx-users] Membrane issues   Haerterich, Steffen
  • [gmx-users] Membrane issues   Semen Esilevsky
    • [gmx-users] continue run on different platform   Kay Gottschalk
    • [gmx-users] pull code   Kay Gottschalk
• [gmx-users] Grompp problem?   Amy Petrik
  • [gmx-users] Grompp problem?   David van der Spoel
• [gmx-users] compiling paralel version   Andrei Neamtu
  • [gmx-users] compiling paralel version   Andre Farias de Moura
• [gmx-users] Number of atoms limitation   Tandia, Adama
• [gmx-users] RE: Number of atoms limitation   Tandia, Adama
• [gmx-users] center of mass [question]   Sergio Modesto Vechi
  • [gmx-users] center of mass [question]   David
• [gmx-users] freezing atom group speed up issue   Sung-Joo Lee
  • [gmx-users] freezing atom group speed up issue   David
• [gmx-users] PRODRG vs PDB2GMX output generated   Gary
  • [gmx-users] PRODRG vs PDB2GMX output generated   David
• [gmx-users] pdb2gmx omit residue   Gary
  • [gmx-users] pdb2gmx omit residue   Derrick Guang Yuh Lee
• [gmx-users] pdb2gmx omit residue   Dinesh Pinisetty
• [gmx-users] atom type error   Dinesh Pinisetty
  • [gmx-users] atom type error   Christopher Tran
• [gmx-users] Is the AMBER or CHARMM Force field running in GROMACS   p.keymer at student.qut.edu.au
  • [gmx-users] Is the AMBER or CHARMM Force field running in GROMACS   david.evans at ulsop.ac.uk
• [gmx-users] set maximum CPU running time   F Jiang
• [gmx-users] announcing normal mode analysis web server ElNemo   Karsten Suhre
• [gmx-users] Is the AMBER or CHARMM Force field running in GROMACS   Michel Cuendet
  • [gmx-users] Is the AMBER or CHARMM Force field running in GROMACS   david.evans at ulsop.ac.uk
• [gmx-users] Is the AMBER or CHARMM Force field running in GROMACS   Berk Hess
• [gmx-users] Is the AMBER or CHARMM Force field running in GROMACS   Berk Hess
  • [gmx-users] Is the AMBER or CHARMM Force field running in GROMACS   david.evans at ulsop.ac.uk
• [gmx-users] troubles with zinc ion and distance restraint   elena.papaleo at unimib.it
• [gmx-users] Is the AMBER or CHARMM Force field running in GROMACS   Berk Hess
• [gmx-users] strict-aliasing warning   Michel Cuendet
• [gmx-users] atom type error   Dinesh Pinisetty
  • [gmx-users] atom type error   Haerterich, Steffen
• [gmx-users] genconf   Dinesh Pinisetty
  • [gmx-users] genconf   Xavier Periole
• [gmx-users] genconf   Dinesh Pinisetty
  • [gmx-users] genconf   Xavier Periole
• [gmx-users] Genbox & Topologies   Gary
  • [gmx-users] Genbox & Topologies   Dallas Warren
• [gmx-users] ref_t in .mdp   yinjun
• [gmx-users] What is the meaning of the sentence in my md.log file?   Hanming
• [gmx-users] What is the meaning of the sentence in my md.log file?   Berk Hess
• [gmx-users] extend MD runs   deepa rajamani
  • [gmx-users] extend MD runs   Xavier Periole
• [gmx-users] Output of mpi gromacs   Tandia, Adama
  • [gmx-users] Output of mpi gromacs   Xavier Periole
    • [gmx-users] Output of mpi gromacs   Nguyen Hoang Phuong
• [gmx-users] Simulation Box   Hadas Lapid
  • [gmx-users] Simulation Box   Tsjerk Wassenaar
    • [gmx-users] phosphorylated Asp   Kay Gottschalk
• [gmx-users] OPLS lipids?   Jee E Rim
• [gmx-users] pull code   Berk Hess
• [gmx-users] continue run on different platform   Berk Hess
• [gmx-users] (no subject)   yinjun
• [gmx-users] Output of mpi gromacs   Berk Hess
• [gmx-users] copyright question   Andrey V Golovin
• [gmx-users] selecting part of a trajectory   Bamidele Adisa
  • [gmx-users] selecting part of a trajectory   Xavier Periole
• [gmx-users] (no subject)   SLN Prasad Reddy
  • [gmx-users] (no subject)   Nuno R. L. Ferreira
• [gmx-users] Re: Parallel run on Gromacs ...   Tandia, Adama
  • [gmx-users] Re: Parallel run on Gromacs ...   Andrea Carotti
• [gmx-users] Compiling on Opteron   Amil Anderson
• [gmx-users] Compiling on Opteron   Pim Schravendijk
  • [gmx-users] Compiling on Opteron   Pierfrancesco Zuccato
• [gmx-users] forcefield   Dinesh Pinisetty
• [gmx-users] molecular dynamics problems   vlad.chindea at pharmatech.ro
  • [gmx-users] molecular dynamics problems   Xavier Periole
    • [gmx-users] molecular dynamics problems   vlad.chindea at pharmatech.ro
      • [gmx-users] molecular dynamics problems   Xavier Periole
      • [gmx-users] molecular dynamics problems   Anton Feenstra
      • [gmx-users] molecular dynamics problems   vlad.chindea at pharmatech.ro
• [gmx-users] (no subject)   Daejoong Kim
• [gmx-users] Running GROMACS with DNA   p.keymer at student.qut.edu.au
  • [gmx-users] Running GROMACS with DNA   Andrey V Golovin
• [gmx-users] (no subject)   Berk Hess
• [gmx-users] Bugs in calculation of virial   Vincent Ballenegger
• [gmx-users] Bugs in calculation of virial   Berk Hess
• [gmx-users] eneconv error   Andre Farias de Moura
  • [gmx-users] eneconv error   Nuno R. L. Ferreira
    • [gmx-users] eneconv error   Andre Farias de Moura
      • [gmx-users] eneconv error   Nuno R. L. Ferreira
• [gmx-users] simulating in double precision but writing in single precision   Milton Taidi Sonoda
• [gmx-users] simulating in double precision but writing in singleprecision   Berk Hess
• [gmx-users] error   Dinesh Pinisetty
  • [gmx-users] error   Xavier Periole
• [gmx-users] electrostatic potencial on site position   Milton Taidi Sonoda
• [gmx-users] error   Dinesh Pinisetty
  • [gmx-users] error   Xavier Periole
• [gmx-users] Different sets of residues for ensemble fitting and RMSF calculation   Mark Berjanskii
  • [gmx-users] Re:A question about Periodic boundary condition   tenghl
    • [gmx-users] Re:A question about Periodic boundary condition   Tsjerk Wassenaar
  • [gmx-users] Different sets of residues for ensemble fitting and RMSF calculation   Xavier Periole
• [gmx-users] Everything you wanted to know...   Anton Feenstra
• [gmx-users] Energy drift problem   xzp02 at mails.tsinghua.edu.cn
  • [gmx-users] Energy drift problem   Anton Feenstra
• [gmx-users] electrostatic potencial on site position   varma1 at uiuc.edu
• [gmx-users] entropy   parinald at unsl.edu.ar
• [gmx-users] nonbonded parameters   Carlos Emidio
• [gmx-users] QM/MM code?   Sishi Tang
  • [gmx-users] QM/MM code?   Gerrit Groenhof
    • [gmx-users] QM/MM code?   Ran Friedman
• [gmx-users] Re: nonbonded parameter   Alessandra Villa
• [gmx-users] error 1-4 interaction   Maarten Wolf
  • [gmx-users] error 1-4 interaction   Anton Feenstra
• [gmx-users] copyright question   Andrey V Golovin
• [gmx-users] Force-Field-Request   acorrea at unisa.it
• [gmx-users] Energy drift problem   xzp02 at mails.tsinghua.edu.cn
  • [gmx-users] Energy drift problem   Anton Feenstra
• [gmx-users] Re Re: Error 1-4 interaction   Maarten Wolf
• [gmx-users] size of the molecule   raj vel
• [gmx-users] virial and external potential   Vincent Ballenegger
• [gmx-users] abnormal termination while mdrun_mpi   pandey at bioinfo.ernet.in
• [gmx-users] virial and external potential   Berk Hess
• [gmx-users] NVE discussion again   Linda
• [gmx-users] forcefield   Dinesh Pinisetty
• [gmx-users] Constraint algorithm error   nicolas Dinter
  • [gmx-users] Constraint algorithm error   Anton Feenstra
• [gmx-users] Re: size of the molecule   Ing. Vojtech Spiwok
• [gmx-users] Constraint algorithm error   nicolas Dinter
  • [gmx-users] Constraint algorithm error   Anton Feenstra
• [gmx-users] Is it possible to fix one cell length in pressure-coupling   xzp02 at mails.tsinghua.edu.cn
  • [gmx-users] Center   Raghunadha Reddy Burri
    • [gmx-users] Center   Anton Feenstra
    • [gmx-users] Center   Nuno R. L. Ferreira
  • [gmx-users] Is it possible to fix one cell length in pressure-coupling   Anton Feenstra
• [gmx-users] rhombic dodecahedron - box vectors   Nuno R. L. Ferreira
  • [gmx-users] rhombic dodecahedron - box vectors   Anton Feenstra
• [gmx-users] Alinging beta sheets   Gaurav Porwal
  • [gmx-users] Alinging beta sheets   Nuno R. L. Ferreira
• [gmx-users] Potential energy of the prot. only   pascal.baillod at epfl.ch
  • [gmx-users] Potential energy of the prot. only   Anton Feenstra
• [gmx-users] how to calculate water residence time?   Linda
  • [gmx-users] how to calculate water residence time?   Anton Feenstra
• [gmx-users] 1-4 Coulomb interaction   Jee E Rim
• [gmx-users] On isotropic pressure coupling   xzp02 at mails.tsinghua.edu.cn
• [gmx-users] box type   sadhna
  • [gmx-users] box type   Choon Peng
• [gmx-users] Problem with CG in double precision   anwar at cdfd.org.in
  • [gmx-users] Problem with CG in double precision   Anton Feenstra
• [gmx-users] NM and energy minimization   John Simms
  • [gmx-users] NM and energy minimization   Bert de Groot
  • [gmx-users] Crystallographic waters for TIP4P   Choon Peng
• [gmx-users] atoms   Dinesh Pinisetty
  • [gmx-users] atoms   Anton Feenstra
• [gmx-users] Constraint algorithm error   nicolas Dinter
  • [gmx-users] Constraint algorithm error   Anton Feenstra
• [gmx-users] gromacs double precision installation   Pankaj Kumar JRF
  • [gmx-users] gromacs double precision installation   Paul van Maaren
    • [gmx-users] gromacs double precision installation   Choon Peng
• [gmx-users] double bonds   Aina Quintilla
  • [gmx-users] double bonds   Dallas Warren
• [gmx-users] Force Fields for IONS   Tandia, Adama
  • [gmx-users] calculate rotation between monomers   Ruben M Buey
    • [gmx-users] problem with -multi   Nguyen Hoang Phuong
      • [gmx-users] problem with -multi   Anton Feenstra
      • [gmx-users] problem with -multi   Nguyen Hoang Phuong
      • [gmx-users] problem with -multi   Anton Feenstra
    • [gmx-users] calculate rotation between monomers   Dallas Warren
• [gmx-users] question about g_sas   neda mirsamadi
  • [gmx-users] question about g_sas   Dallas Warren
• [gmx-users] atom types   Dinesh Pinisetty
  • [gmx-users] atom types   Dallas Warren
• [gmx-users] SUSPICIOUS: Pressure scaling ...   Tandia, Adama
  • [gmx-users] SUSPICIOUS: Pressure scaling ...   Anton Feenstra
• [gmx-users] error   Dinesh Pinisetty
  • [gmx-users] error   Dallas Warren
  • [gmx-users] error   Bert de Groot
• [gmx-users] problem in protein - cofactor linkage   pankaj at cdfd.org.in
  • [gmx-users] problem in protein - cofactor linkage   Anton Feenstra
• [gmx-users] The meaning of rlist, rvdm and rcolumn   Li Dawei
  • [gmx-users] The meaning of rlist, rvdm and rcolumn   Anton Feenstra
• [gmx-users] The meaning of rlist, rvdm and rcolumn   Li Dawei
  • [gmx-users] The meaning of rlist, rvdm and rcolumn   Anton Feenstra
• [gmx-users] problem with -multi   Berk Hess
• [gmx-users] The meaning of rlist, rvdm and rcolumn   Li Dawei
• [gmx-users] The meaning of rlist, rvdm and rcolumn   Li Dawei
  • [gmx-users] The meaning of rlist, rvdm and rcolumn   Anton Feenstra
• [gmx-users] CRY-ED question   Ruben Martinez Buey
  • [gmx-users] CRY-ED question   Bert de Groot
    • [gmx-users] CRY-ED question   Anton Feenstra
  • [gmx-users] CRY-ED question   Daan van Aalten
    • [gmx-users] CRY-ED question   Bert de Groot
• [gmx-users] multiple backups   Berk Hess
  • [gmx-users] multiple backups   Nguyen Hoang Phuong
  • [gmx-users] multiple backups   Bert de Groot
  • [gmx-users] multiple backups   Andrey V Golovin
  • [gmx-users] multiple backups   Anton Feenstra
    • [gmx-users] multiple backups   Nguyen Hoang Phuong
      • [gmx-users] multiple backups   Anton Feenstra
• [gmx-users] Timers used in Gromacs and accuracy?   Fiona Reid
  • [gmx-users] Timers used in Gromacs and accuracy?   Anton Feenstra
• [gmx-users] multiple backups   Berk Hess
• [gmx-users] Compiling on power4, still struggling   Pim Schravendijk
• [gmx-users] concoord problem   John Simms
  • [gmx-users] concoord problem   Bert de Groot
• [gmx-users] How to get one T coupling for a multi component systems ?   Tandia, Adama
  • [gmx-users] How to get one T coupling for a multi component systems ?   Anton Feenstra
• [gmx-users] atoms   Dinesh Pinisetty
  • [gmx-users] atoms   Anton Feenstra
• [gmx-users] atom types   Dinesh Pinisetty
  • [gmx-users] atom types   Dallas Warren
• [gmx-users] The meaning of rlist, rvdm and rcolumn   Li Dawei
  • [gmx-users] The meaning of rlist, rvdm and rcolumn   Anton Feenstra
• [gmx-users] Re: gmx-users Digest, Vol 3, Issue 63   anwar at cdfd.org.in
• [gmx-users] neutral LYS (NH2)   mauricio arenas
• [gmx-users] neutral LYS (NH2)   mauricio arenas
  • [gmx-users] neutral LYS (NH2)   Haberl
  • [gmx-users] neutral LYS (NH2)   Haberl
    • [gmx-users] neutral LYS (NH2)   Oliver Beckstein
• [gmx-users] Protein jumping out of box   herbst at fhi-berlin.mpg.de
  • [gmx-users] Protein jumping out of box   Nuno R. L. Ferreira
  • [gmx-users] topology problems   Marc Bruning
    • [gmx-users] topology problems   Anton Feenstra
      • [gmx-users] topology problems   Marc Bruning
  • [gmx-users] Protein jumping out of box   Nuno R. L. Ferreira
• [gmx-users] The meaning of rlist, rvdm and rcolumn   Berk Hess
• [gmx-users] ngmx 'command not found'   Marc Daley
  • [gmx-users] ngmx 'command not found'   Anton Feenstra
    • [gmx-users] ngmx 'command not found'   Marc Daley
      • [gmx-users] ngmx 'command not found'   Anton Feenstra
      • [gmx-users] ngmx 'command not found'   Marc Vogt
• [gmx-users] g_rama Fatal error & Ace group (again)   Jake .
• [gmx-users] Implicit solvent model   Arpita Mitra
• [gmx-users] IMPLICIT SOLVENT-help   acorrea at unisa.it
• [gmx-users] eneconv error   Rainer Boeckmann
• [gmx-users] eneconv error   Berk Hess
  • [gmx-users] eneconv error   Rainer Boeckmann
• [gmx-users] Fw: Can you help me ?   Nuno R. L. Ferreira
  • [gmx-users] Fw: Can you help me ?   Andrey V Golovin
• [gmx-users] A problem about H-bonds   tenghl
  • [gmx-users] A problem about H-bonds   Andrey V Golovin
• [gmx-users] Compiling Gromacs 3.2.1 on IBM p690+ Power4   Fiona Reid
• [gmx-users] simulated annealing   Sekar Ramachandran
• [gmx-users] Career prospects   Vivek Raut
• [gmx-users] Long range energy   nicolas Dinter
• [gmx-users] Long range energy   Berk Hess
  • [gmx-users] Long range energy   nicolas Dinter
• [gmx-users] membrane mimetics   John Simms
• [gmx-users] Long range energy   Berk Hess
• [gmx-users] mpiexec..   Sekwan Oh
• [gmx-users] postdoctorals   Arturas
  • [gmx-users] postdoctorals   Mark Berjanskii
• [gmx-users] Re: Compiling Gromacs 3.2.1 on IBM p690+ Power4   Pim Schravendijk
  • [gmx-users] Re: Compiling Gromacs 3.2.1 on IBM p690+ Power4   Sekwan Oh
• [gmx-users] Re: Compiling Gromacs 3.2.1 on IBM p690+ Power4   Berk Hess
• [gmx-users] diffusion constant of protein.   Coincon Mathieu
• [gmx-users] DNA on GROMACS?   Hwankyu Lee
• [gmx-users] mixed solvent density   John Simms
• [gmx-users] getting problem in some of the commonds   Alok

Last message date: Sat Jul 31 11:15:44 CEST 2004
Archived on: Thu Nov 14 12:00:56 CET 2013

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