December 2004 Archives by thread

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Starting: Wed Dec 1 01:34:29 CET 2004
Ending: Fri Dec 31 18:56:00 CET 2004
Messages: 314

[gmx-users] grommp & coordinate numbers Bo Yang
- [gmx-users] grommp & coordinate numbers Peter Zoon
- [gmx-users] grommp & coordinate numbers David van der Spoel
[gmx-users] the protein drifts when molecular dynanic simulation Choon Peng
- [gmx-users] the protein drifts when molecular dynanic simulation Abil Aliev
  - [gmx-users] the protein drifts when molecular dynanic simulation David van der Spoel
    - [gmx-users] the protein drifts when molecular dynanic simulation Choon Peng
    - [gmx-users] the protein drifts when molecular dynanic simulation David van der Spoel
    - [gmx-users] the protein drifts when molecular dynanic simulation Abil Aliev
[gmx-users] grommp & coordinate number-2 Bo Yang
- [gmx-users] grommp & coordinate number-2 Peter Zoon
[gmx-users] slightly off topic: Hole program mark
- [gmx-users] slightly off topic: Hole program Xavier Periole
[gmx-users] NMR Structure determination Wolfram Gronwald
- [gmx-users] NMR Structure determination David van der Spoel
  - [gmx-users] File pull.ppa Isabella Daidone
    - [gmx-users] File pull.ppa mario orsi
[gmx-users] Diferent ensambles for monolayers dynamics Hector Mtz-Seara
- [gmx-users] Diferent ensambles for monolayers dynamics Andre Farias de Moura
  - [gmx-users] Diferent ensambles for monolayers dynamics Hector Mtz-Seara
    - [gmx-users] Diferent ensambles for monolayers dynamics Andre Farias de Moura
    - [gmx-users] Diferent ensambles for monolayers dynamics Pedro Alexandre Lapido Loureiro
    - [gmx-users] Diferent ensambles for monolayers dynamics Andre Farias de Moura
    - [gmx-users] Diferent ensambles for monolayers dynamics Hector Mrz-Seara Monne
[gmx-users] force constants: GROMOS format Arturas
- [gmx-users] force constants: GROMOS format David van der Spoel
[gmx-users] surface tesion ????????? ???????
- [gmx-users] surface tesion Berk Hess
[gmx-users] details of entries in 'ff**bon.itp' files Arturas
- [gmx-users] details of entries in 'ff**bon.itp' files David van der Spoel
[gmx-users] positional restraint Xavier Periole
- [gmx-users] positional restraint Alok
[gmx-users] infinite alpha-helix herbst at fhi-berlin.mpg.de
- [gmx-users] infinite alpha-helix David
[gmx-users] nanoparticles (was: no subject) Marcin Wojdyr
- [gmx-users] nanoparticles (was: no subject) David
  - [gmx-users] nanoparticles (was: no subject) Marcin Wojdyr
[gmx-users] Negative arginine? Eric Jakobsson
- [gmx-users] Negative arginine? David van der Spoel
[gmx-users] grommp: works now! Bo Yang
[gmx-users] How to buy a new cluster? Kay Gottschalk
- [gmx-users] How to buy a new cluster? David van der Spoel
  - [gmx-users] How to buy a new cluster? Ran Friedman
    - [gmx-users] How to buy a new cluster? Florian Haberl
    - [gmx-users] How to buy a new cluster? David van der Spoel
    - [gmx-users] How to buy a new cluster? Ran Friedman
    - [gmx-users] How to buy a new cluster? David van der Spoel
[gmx-users] Re: DNA in gromacs Anton Feenstra
[gmx-users] infinite alpha-helix Nuno R. L. Ferreira
[gmx-users] infinite alpha-helix Nuno R. L. Ferreira
- [gmx-users] infinite alpha-helix Eric Jakobsson
  - [gmx-users] infinite alpha-helix Nuno R. L. Ferreira
[gmx-users] infinite alpha-helix Nuno R. L. Ferreira
[gmx-users] force field parameters for CS+1 srana at chem.iitb.ac.in
- [gmx-users] force field parameters for CS+1 Ran Friedman
  - [gmx-users] periodic boundary conditions Lianqing Zheng
    - [gmx-users] periodic boundary conditions David
    - [gmx-users] periodic boundary conditions Lianqing Zheng
  - [gmx-users] force field parameters for CS+1 parinald at unsl.edu.ar
[gmx-users] ryckaert bellemans Aina Quintilla
[gmx-users] NMR Structure determination Wolfram Gronwald
- [gmx-users] NMR Structure determination David
[gmx-users] FreshMeat Marcin Wojdyr
- [gmx-users] FreshMeat David
[gmx-users] Negative arginine? Steven Spronk
- [gmx-users] Negative arginine? David
  - [gmx-users] Negative arginine? Steven Spronk
    - [gmx-users] Negative arginine? Kay Gottschalk
    - [gmx-users] Negative arginine? Anton Feenstra
- [gmx-users] Negative arginine? Eric Jakobsson
[gmx-users] Gromacs installation on Mac OSX, again bozell, joe
- [gmx-users] Gromacs installation on Mac OSX, again Itamar Kass
- [gmx-users] Gromacs installation on Mac OSX, again Pradip Kumar Biswas
- [gmx-users] Gromacs installation on Mac OSX, again Heikki Käsnänen
- [gmx-users] Gromacs installation on Mac OSX, again Ken Rotondi
[gmx-users] tip3p water model dennis at iitk.ac.in
[gmx-users] NMR Structure determination] Eiso AB
[gmx-users] NMR Structure determination Eiso AB
[gmx-users] angles without bonds - SegFault Marcin Wojdyr
- [gmx-users] angles without bonds - SegFault Berk Hess
  - [gmx-users] angles without bonds - SegFault Marcin Wojdyr
    - [gmx-users] angles without bonds - SegFault Berk Hess
[gmx-users] opls LJ combination rules Markus O Kaukonen
- [gmx-users] opls LJ combination rules David van der Spoel
[gmx-users] DMSO, counter ions and ionization state Edgar Luttmann
- [gmx-users] DMSO, counter ions and ionization state David van der Spoel
[gmx-users] NMR Structure determination Wolfram Gronwald
[gmx-users] MPI INTEL and Opteron Alan Wilter Sousa da Silva
- [gmx-users] MPI INTEL and Opteron David van der Spoel
[gmx-users] A question about "PEF" zjim
[gmx-users] Perfomance using differnet compiler Florian Haberl
[gmx-users] trjcat problem vincenzo venditti
- [gmx-users] trjcat problem Xavier Periole
[gmx-users] [Fwd: simulation in microchannel] David van der Spoel
[gmx-users] Re: A question about "PEF" Michael Brunsteiner
[gmx-users] Operation of tutorial bozell, joe
- [gmx-users] Operation of tutorial Oliver Beckstein
  - [gmx-users] Operation of tutorial Itamar Kass
Re: [gmx-users] Re: A question about "PEF" zjim
[gmx-users] creating pqr files Alan Wilter Sousa da Silva
- [gmx-users] Re: creating pqr files Alan Wilter Sousa da Silva
  - [gmx-users] Re: creating pqr files sameer varma
- [gmx-users] creating pqr files David
  - [gmx-users] creating pqr files David
[gmx-users] average and rate in benchmark Alan Wilter Sousa da Silva
- [gmx-users] average and rate in benchmark David
[gmx-users] copying compiled gmx bins Alan Wilter Sousa da Silva
- [gmx-users] copying compiled gmx bins David
[gmx-users] GROMACS parallel performance(sorry to post again) Zhong Wenyu
[gmx-users] how to read binary file rmsd.dat arnab mukherjee
- [gmx-users] how to read binary file rmsd.dat David van der Spoel
[gmx-users] Compressibility for NPT simulation at 600 bar sunita at chem.iitb.ac.in
- [gmx-users] Compressibility for NPT simulation at 600 bar David van der Spoel
[gmx-users] RMSDview Ing. Vojtech Spiwok
- [gmx-users] fourier_nx and stuff Abil Aliev
  - [gmx-users] fourier_nx and stuff David
    - [gmx-users] fourier_nx and stuff Abil Aliev
    - [gmx-users] fourier_nx and stuff David
    - [gmx-users] fourier_nx and stuff Abil Aliev
[gmx-users] Opteron 1400 MHz Benchmark Alan Wilter Sousa da Silva
[gmx-users] gmx bins from a box to another Alan Wilter Sousa da Silva
- [gmx-users] gmx bins from a box to another David van der Spoel
- [gmx-users] gmx bins from a box to another Florian Haberl
[gmx-users] Dual Opteron + MPI Alan Wilter Sousa da Silva
[gmx-users] Re: Opteron 1400 MHz Benchmark Michel Cuendet
- [gmx-users] Re: Opteron 1400 MHz Benchmark David van der Spoel
[gmx-users] Re: gmx bins from a box to another (Florian Haberl) Alan Wilter Sousa da Silva
[gmx-users] density of water at various pressures Maria Sabaye Moghaddam
- [gmx-users] density of water at various pressures David
[gmx-users] how to position-restain an index group Rui Qiao
- [gmx-users] how to position-restain an index group David van der Spoel
[gmx-users] Intermolecular_energy Osmair Vital de Oliveira
- [gmx-users] Intermolecular_energy David van der Spoel
  - [gmx-users] (no subject) Robert d'Rozario
[gmx-users] Calculated and g_energy averages differ Nuno Micaelo
- [gmx-users] Calculated and g_energy averages differ David van der Spoel
[gmx-users] Calculated and g_energy averages differ Berk Hess
- [gmx-users] amide plane Abil Aliev
  - [gmx-users] amide plane David
    - [gmx-users] amide plane Abil Aliev
    - [gmx-users] amide plane David
[gmx-users] Gromacs can't run on AIX system! PeiQuan Chen
- [gmx-users] Gromacs can't run on AIX system! David
[gmx-users] how to constrain a dihedral mengyi
[gmx-users] Re: Gromacs can't run on AIX system! PeiQuan Chen
- [gmx-users] Re: Gromacs can't run on AIX system! David van der Spoel
- [gmx-users] Re: Gromacs can't run on AIX system! Florian Haberl
[gmx-users] how to constrain a dihedral David van der Spoel
- [gmx-users] trr to xtc Abil Aliev
  - [gmx-users] trr to xtc Xavier Periole
  - [gmx-users] trr to xtc Kay Gottschalk
  - [gmx-users] trr to xtc David van der Spoel
    - [gmx-users] trr to xtc Anton Feenstra
[gmx-users] AFM pulling options Jian Zou
[gmx-users] Re: mixed bilayer Kia Balali-Mood
[gmx-users] mdrun refusing to crash (while still writing step*.pdb files) Anton Feenstra
- [gmx-users] mdrun refusing to crash (while still writing step*.pdb files) Anton Feenstra
[gmx-users] Gromacs can't run on AIX system! PeiQuan Chen
[gmx-users] Non-bonded interactions Pedro Alexandre Lapido Loureiro
- [gmx-users] Non-bonded interactions Pradip Kumar Biswas
[gmx-users] Gromacs can't run on AIX system! PeiQuan Chen
- [gmx-users] Gromacs can't run on AIX system! David
[gmx-users] shell MD Marcin Wojdyr
- [gmx-users] shell MD Marcin Wojdyr
[gmx-users] Re: [gmx-usersDigest] AFM pulling options Justin MacCallum
[gmx-users] [Fwd: questions of afm pulling code] David van der Spoel
- [gmx-users] [Fwd: questions of afm pulling code] Berk Hess
[gmx-users] combined ED analysis vincenzo venditti
- [gmx-users] dibromo-tyrosine T.A.Wassenaar at chem.rug.nl
- [gmx-users] combined ED analysis Anton Feenstra
- [gmx-users] combined ED analysis Berk Hess
  - [gmx-users] combined ED analysis vincenzo venditti
    - [gmx-users] combined ED analysis Berk Hess
    - [gmx-users] combined ED analysis Berk Hess
    - [gmx-users] combined ED analysis David
    - [gmx-users] combined ED analysis bgroot at gwdg.de
[gmx-users] Re:Gromacs can't run on AIX system! PeiQuan Chen
[gmx-users] pbc=full, gromacs 3.2.1 Abil Aliev
[gmx-users] pbc = full / gromacs 3.2.1 Abil Aliev
- [gmx-users] pbc = full / gromacs 3.2.1 David
  - [gmx-users] pbc = full / gromacs 3.2.1 Abil Aliev
    - [gmx-users] pbc = full / gromacs 3.2.1 David
[gmx-users] About tau_t Jayeeta Ghosh
- [gmx-users] About tau_t David van der Spoel
[gmx-users] Paper may be of interest to some people here ... Dallas Warren
- [gmx-users] Paper may be of interest to some people here ... Nuno R. L. Ferreira
[gmx-users] X-ray diffraction pattern Nuno R. L. Ferreira
- [gmx-users] X-ray diffraction pattern Nuno R. L. Ferreira
  - [gmx-users] X-ray diffraction pattern David van der Spoel
[gmx-users] Re: questions of afm pulling code Jian Zou
- [gmx-users] Re: questions of afm pulling code Dallas Warren
[gmx-users] Re: no speedup with mpirun on dual processor David van der Spoel
[gmx-users] g_hbonds, sliced Marcelo A. Carignano
- [gmx-users] g_hbonds, sliced David
[gmx-users] (no subject) Anton Feenstra
[gmx-users] Bob Arenburg/Austin/IBM is out of the office. Bob Arenburg
[gmx-users] how to calcualtion of enthalpy and entropy in gromacs zjim
[gmx-users] questions about AFM pulling Jian Zou
[gmx-users] questions about AFM pulling Frauke Meyer
[gmx-users] GDP topology Michal Kolinski
[gmx-users] Fw: GDP topology Michal Kolinski
[gmx-users] Inverting PBC for membrane simulations Alan Dodd
- [gmx-users] Inverting PBC for membrane simulations Eric Jakobsson
[gmx-users] g_angle (Problem in Dihedral Angles) Alok
- [gmx-users] g_angle (Problem in Dihedral Angles) David
  - [gmx-users] g_angle (Problem in Dihedral Angles) Alok
    - [gmx-users] g_angle (Problem in Dihedral Angles) David van der Spoel
[gmx-users] questions about afm pulling Jian Zou
[gmx-users] pdb2gmx -ff oplsaa -water tip4p / cut-offs for oplsa Abil Aliev
- [gmx-users] pdb2gmx -ff oplsaa -water tip4p / cut-offs for oplsa David van der Spoel
  - [gmx-users] pdb2gmx -ff oplsaa -water tip4p / cut-offs for oplsa Anton Feenstra
  - [gmx-users] pdb2gmx -ff oplsaa -water tip4p / cut-offs for oplsa Anton Feenstra
    - [gmx-users] pdb2gmx -ff oplsaa -water tip4p / cut-offs for oplsa David
- [gmx-users] pdb2gmx -ff oplsaa -water tip4p / cut-offs for oplsa Abil Aliev
  - [gmx-users] pdb2gmx -ff oplsaa -water tip4p / cut-offs for oplsa David
    - [gmx-users] pdb2gmx -ff oplsaa -water tip4p / cut-offs for oplsa Abil Aliev
    - [gmx-users] pdb2gmx -ff oplsaa -water tip4p / cut-offs for oplsa Abil Aliev
[gmx-users] g_sas vincenzo venditti
- [gmx-users] g_sas David
- [gmx-users] g_sas Berk Hess
[gmx-users] artificial layer M.Naser
[gmx-users] building a beta-glucose chain Glenn Johnson
[gmx-users] Constraints Uwe Richter
- [gmx-users] Constraints David van der Spoel
  - [gmx-users] Constraints - again Uwe Richter
    - [gmx-users] Constraints - again David van der Spoel
[gmx-users] Inverting PBC for membrane simulations Alan Dodd
- [gmx-users] Inverting PBC for membrane simulations Eric Jakobsson
[gmx-users] distance constrain Luciane V. Mello
- [gmx-users] distance constrain Uwe Richter
[gmx-users] distance constrain Luciane V. Mello
[gmx-users] compile mdrun for parallel run Shirley Siu
- [gmx-users] compile mdrun for parallel run Marc Vogt
  - [gmx-users] compile mdrun for parallel run Marc Vogt
- [gmx-users] compile mdrun for parallel run David van der Spoel
  - [gmx-users] number of thread? Shirley Siu
[gmx-users] compile mdrun for parallel run Alan Wilter Sousa da Silva
[gmx-users] CYS1 or CYS2 not CYSH Osmany Guirola Cruz
- [gmx-users] CYS1 or CYS2 not CYSH David
  - [gmx-users] CYS1 or CYS2 not CYSH Osmany Guirola Cruz
    - [gmx-users] CYS1 or CYS2 not CYSH David
    - [gmx-users] CYS1 or CYS2 not CYSH Osmany Guirola Cruz
    - [gmx-users] CYS1 or CYS2 not CYSH Marc F. Lensink
[gmx-users] how to extract force from trr file? Jian Zou
- [gmx-users] how to extract force from trr file? Nguyen Hoang Phuong
[gmx-users] help with thihs MD Tanos
- [gmx-users] help with thihs MD Andre Farias de Moura
- [gmx-users] help with thihs MD Florian Haberl
[gmx-users] flexible water, pos. res. and cg Alan Wilter Sousa da Silva
- [gmx-users] flexible water, pos. res. and cg David
- [gmx-users] Re: flexible water, pos. res. and cg Alan Wilter Sousa da Silva
[gmx-users] adding constraints Samuel Flores
[gmx-users] Distance restraints John Simms
- [gmx-users] Distance restraints David
[gmx-users] RE:Distance restraints John Simms
- [gmx-users] RE:Distance restraints David
[gmx-users] Topology parameters for starch lahtela at messi.uku.fi
[gmx-users] question about g_sas コウチ
- [gmx-users] question about g_sas David van der Spoel
  - [gmx-users] question about g_sas Berk Hess
[gmx-users] Simulating Aluminum Oxide Particle in Water Bill Evans
- [gmx-users] Simulating Aluminum Oxide Particle in Water David
[gmx-users] coulombtype selection Jian Zou
- [gmx-users] coulombtype selection Kay Gottschalk
  - [gmx-users] coulombtype selection David van der Spoel
[gmx-users] Harmonic potential M.Naser
- [gmx-users] Harmonic potential David
  - [gmx-users] Harmonic potential M.Naser
    - [gmx-users] Harmonic potential David
    - [gmx-users] Harmonic potential M.Naser
    - [gmx-users] Harmonic potential David van der Spoel
    - [gmx-users] Solid layer M.Naser
    - [gmx-users] Solid layer David
    - [gmx-users] Solid layer M.Naser
[gmx-users] free energy calculation Edgar Luttmann
[gmx-users] How to enable fortran inner loops in Itanium 2 PeiQuan Chen
- [gmx-users] How to enable fortran inner loops in Itanium 2 David van der Spoel
[gmx-users] Jean-Marc Denis/FR/BULL is out of the office Jean-Marc.Denis at bull.net
[gmx-users] Jean-Marc Denis/FR/BULL is out of the office Jean-Marc.Denis at bull.net
[gmx-users] No. of solvent molecules around Solute Alok
- [gmx-users] No. of solvent molecules around Solute David
[gmx-users] two question about calculating the binding free energy using g_lie method zjim
[gmx-users] how to constrain a solvent different from water ying-hua-chung at uiowa.edu
[gmx-users] Harmonic potential Michael Brunsteiner
- [gmx-users] Harmonic potential M.Naser
[gmx-users] two question about calculating the binding free energy using g_lie method Michael Brunsteiner
[gmx-users] trr file hj zou
- [gmx-users] trr file parinald at unsl.edu.ar
[gmx-users] couple of questions about H-bonds and constraints Dastmalchi
- [gmx-users] couple of questions about H-bonds and constraints Ran Friedman
[gmx-users] CYS deprotonated! Alberto Malvezzi
- [gmx-users] CYS deprotonated! David van der Spoel
[gmx-users] coulombtype selection Jian Zou
[gmx-users] coulombtype selection David
[gmx-users] How to compute covariance? Semen Esilevsky
[gmx-users] gromacs Website offline Florian Haberl
- [gmx-users] gromacs Website offline David van der Spoel
[gmx-users] Re:Re:trr file hj zou
[gmx-users] xtc format read fortran program Mu Yuguang (Dr)
- [gmx-users] xtc format read fortran program David
[gmx-users] xtc format read fortran program Mu Yuguang (Dr)
[gmx-users] Re: How to enable fortran inner loops in Itanium 2 Michel Cuendet
- [gmx-users] Re: How to enable fortran inner loops in Itanium 2 Marco Matthies
  - [gmx-users] Re: How to enable fortran inner loops in Itanium 2 David van der Spoel
- [gmx-users] Re: How to enable fortran inner loops in Itanium 2 David van der Spoel
[gmx-users] Windows XP install error strony_w_w_w at op.pl
- [gmx-users] Windows XP install error Florian Haberl
[gmx-users] Position restraint doesn't work asaraujo at if.sc.usp.br
- [gmx-users] Position restraint doesn't work David van der Spoel
  - [gmx-users] Position restraint doesn't work asaraujo at if.sc.usp.br
[gmx-users] Lipid topology strony_w_w_w at op.pl
[gmx-users] Gromacs and perhaps infiniband problem Florian Haberl
- [gmx-users] Gromacs and perhaps infiniband problem David van der Spoel
  - [gmx-users] Gromacs and perhaps infiniband problem Haberl Florian

Last message date: Fri Dec 31 18:56:00 CET 2004
Archived on: Thu Nov 14 12:01:17 CET 2013

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