May 2004 Archives by thread

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Starting: Sat May 1 07:16:01 CEST 2004
Ending: Mon May 31 22:05:41 CEST 2004
Messages: 347

• [gmx-users] how to create an index file for g_order?   Hanning chen
  • [gmx-users] how to create an index file for g_order?   Zhen.Qin at hec.utah.edu
• [gmx-users] Grompp error   Kamil Tamiola
  • [gmx-users] Grompp error   Dallas Warren
• [gmx-users] pulling code in 3.2.1   Lingling Shen
• [gmx-users] potential under constrain application   gianluca santarossa
  • [gmx-users] potential under constrain application   Erik Lindahl
• [gmx-users] treecode again   Mu Yuguang (Dr)
  • [gmx-users] treecode again   David
• [gmx-users] trn precision   Patricia Soto
  • [gmx-users] trn precision   David
    • [gmx-users] trn precision   Patricia Soto
      • [gmx-users] trn precision   David
• [gmx-users] Subroutine error   herbst at fhi-berlin.mpg.de
  • [gmx-users] Subroutine error   David
• [gmx-users] grompp erorr   Kamil Tamiola
• [gmx-users] question about Polak Ribiere conjugate gradient   Hua Wong
  • [gmx-users] question about Polak Ribiere conjugate gradient   David
    • [gmx-users] question about Polak Ribiere conjugate gradient   Alan Wilter Sousa da Silva
      • [gmx-users] question about Polak Ribiere conjugate gradient   Erik Lindahl
    • [gmx-users] question about Polak Ribiere conjugate gradient   Erik Lindahl
• [gmx-users] question about Polak Ribiere conjugate gradient   Hua Wong
• [gmx-users] Problems   Henrik Rundgren
  • [gmx-users] Problems   David
• [gmx-users] Thioester   dichan at ucalgary.ca
• [gmx-users] RE: problems   Henrik Rundgren
• [gmx-users] g_hbond does not work with -hbn option   Hanning chen
  • [gmx-users] g_hbond does not work with -hbn option   David
• [gmx-users] crystallographic_water   neda mirsamadi
  • [gmx-users] crystallographic_water   Xavier Periole
• [gmx-users] grompp in gmx3.2.1   Linda
• [gmx-users] Dummy atom type in OPLS-AA   Tivadar Orban
• [gmx-users] nve ensemble   Linda
  • [gmx-users] nve ensemble   Xavier Periole
• [gmx-users] rvdw>rlist for nve simulation   Linda
  • [gmx-users] rvdw>rlist for nve simulation   David
  • [gmx-users] rvdw>rlist for nve simulation   Erik Lindahl
• [gmx-users] ambconv problems   david.evans at ulsop.ac.uk
• [gmx-users] model polymers   Marcelo A. Carignano
• [gmx-users] REMD   sadhna
  • [gmx-users] REMD   Nuno R. L. Ferreira
• [gmx-users] Re:rvdw>rlist for nve simulation   Linda
• [gmx-users] OPLS-AA with TIP4P water, error during energy minimization   Sunita Patel
  • [gmx-users] OPLS-AA with TIP4P water, error during energy minimization   David
• [gmx-users] Re: nve ensemble   Linda
  • [gmx-users] Re: nve ensemble   Xavier Periole
• [gmx-users] Re: nve ensemble   Linda
  • [gmx-users] Re: nve ensemble   Erik Lindahl
• [gmx-users] solvation free energy calculations   Craig Swank
  • [gmx-users] solvation free energy calculations   Raghunadha Reddy Burri
  • [gmx-users] solvation free energy calculations   Alexandre Suman de Araujo
• [gmx-users] Error   herbst at fhi-berlin.mpg.de
  • [gmx-users] Error   Ran Friedman
• [gmx-users] multichain peptide simulation   Susan Idiula
  • [gmx-users] multichain peptide simulation   David van der Spoel
    • [gmx-users] multichain peptide simulation   Susan Idiula
      • [gmx-users] multichain peptide simulation   David van der Spoel
• [gmx-users] pressure coupling for lipid bilayer   Shang-Te Danny Hsu
  • [gmx-users] pressure coupling for lipid bilayer   Nuno R. L. Ferreira
• [gmx-users] C12 for OW of SPC (Gromos96)   Nuno R. L. Ferreira
• [gmx-users] make_edi.c error gmx3.2.1 compilation   Linda
• [gmx-users] solvation free energie calculations   Craig Swank
• [gmx-users] solvation free energie calculations   Craig Swank
  • [gmx-users] solvation free energie calculations   Tivadar Orban
  • [gmx-users] solvation free energie calculations   Tivadar Orban
• [gmx-users] Re:make_edi.c error gmx3.2.1 compilation   Linda
• [gmx-users] Electrostatic and VdW cut off   Madhuri Agashe
  • [gmx-users] Electrostatic and VdW cut off   David
• [gmx-users] solvation free energie calculations   Craig Swank
• [gmx-users] relaxation time   Linda
  • [gmx-users] relaxation time   David
• [gmx-users] potential on non-protein molecules   gianluca santarossa
  • [gmx-users] potential on non-protein molecules   Dallas Warren
    • [gmx-users] potential on non-protein molecules   gianluca santarossa
      • [gmx-users] potential on non-protein molecules   David
      • [gmx-users] potential on non-protein molecules   gianluca santarossa
      • [gmx-users] potential on non-protein molecules   David van der Spoel
• [gmx-users] installation problem   ANick at t-online.de
• [gmx-users] model polymers   Jason DeJoannis
• [gmx-users] Re: relaxation time (David)   Linda
  • [gmx-users] Re: relaxation time (David)   David
• [gmx-users] NVE ensemble speed   Linda
  • [gmx-users] NVE ensemble speed   David van der Spoel
• [gmx-users] FEP and excluded atom interactions   Nuno Micaelo
• [gmx-users] Running Gromacs on IBM Power4   Marc Baaden
  • [gmx-users] Running Gromacs on IBM Power4   Erik Lindahl
• [gmx-users] More Power4 stuff .. new error code !   Marc Baaden
  • [gmx-users] More Power4 stuff .. new error code !   Erik Lindahl
• [gmx-users] MD stopped   Tanos
• [gmx-users] Mdrun box nan error   Nathalie R. Basdevant
  • [gmx-users] Mdrun box nan error   David
    • [gmx-users] Mdrun box nan error   Nathalie R. Basdevant
      • [gmx-users] Mdrun box nan error   David
      • [gmx-users] Mdrun box nan error   Nathalie R. Basdevant
      • [gmx-users] Mdrun box nan error   David
      • [gmx-users] Mdrun box nan error   Erik Lindahl
• [gmx-users] How to deal with phosphate radicals?   Jinzhi Tan
• [gmx-users] How to draw a RMSD plot after essential dynamics analysis(EDA)   zhang xudong
  • [gmx-users] How to draw a RMSD plot after essential dynamics analysis(EDA)   Erik Lindahl
• [gmx-users] g_chi   Marieke van den Bosch
  • [gmx-users] g_chi   David van der Spoel
• [gmx-users] Error: C compiler cannot create executables   Marcelo de Freitas Lima
  • [gmx-users] Error: C compiler cannot create executables   Erik Lindahl
• [gmx-users] two questions on multiple simulations and stochastic dynamics   Berk Hess
• [gmx-users] xvg files   Ruben Martinez Buey
  • [gmx-users] xvg files   David van der Spoel
    • [gmx-users] xvg files   DV
  • [gmx-users] xvg files   Dallas Warren
• [gmx-users] Qeustion on use of freeze groups for solid walls   Daejoong Kim
  • [gmx-users] Qeustion on use of freeze groups for solid walls   David van der Spoel
• [gmx-users] Normal to see volume expansion   Jun Qian
  • [gmx-users] Normal to see volume expansion   David van der Spoel
• [gmx-users] multi chain simulation   "김현철"
• [gmx-users] Fatal error: Frame contains more atoms than expected   SANTINI sebastien
  • [gmx-users] Fatal error: Frame contains more atoms than expected   David van der Spoel
    • [gmx-users] Fatal error: Frame contains more atoms than expected   SANTINI sebastien
      • [gmx-users] Fatal error: Frame contains more atoms than expected   David van der Spoel
      • [gmx-users] Fatal error: Frame contains more atoms than expected   SANTINI sebastien
      • [gmx-users] Fatal error: Frame contains more atoms than expected   David van der Spoel
      • [gmx-users] Fatal error: Frame contains more atoms than expected   SANTINI sebastien
      • [gmx-users] Fatal error: Frame contains more atoms than expected   David van der Spoel
      • [gmx-users] Fatal error: Frame contains more atoms than expected   SANTINI sebastien
      • [gmx-users] Fatal error: Frame contains more atoms than expected   David van der Spoel
      • [gmx-users] Fatal error: Frame contains more atoms than expected   SANTINI sebastien
      • [gmx-users] Fatal error: Frame contains more atoms than expected   David
• [gmx-users] FAD containing protein   Andrea Carotti
• [gmx-users] cyclic problems...   Henrik Rundgren
• [gmx-users] help   diba
  • [gmx-users] help   David van der Spoel
• [gmx-users] about the phosphate radicals   Jinzhi Tan
• [gmx-users] Can I run an MD simulation without protein??   Scott Classen
  • [gmx-users] Can I run an MD simulation without protein??   David
• [gmx-users] water density   Linda
  • [gmx-users] water density   Erik Lindahl
    • [gmx-users] water density   Erik Lindahl
  • [gmx-users] water density   David
• [gmx-users] Is 1.4 A is a large rms incontrast to 0.33 A ?   Sunita Patel
  • [gmx-users] Is 1.4 A is a large rms incontrast to 0.33 A ?   Erik Lindahl
  • [gmx-users] Is 1.4 A is a large rms incontrast to 0.33 A ?   David van der Spoel
• [gmx-users] mdrun problems   Scott Classen
  • [gmx-users] mdrun problems   David
• [gmx-users] help...!!!   diba
  • [gmx-users] help...!!!   David van der Spoel
• [gmx-users] Re: Water density   Wei Fu
• [gmx-users] Question about omega torsion   Hua Wong
  • [gmx-users] Question about omega torsion   Bert de Groot
    • [gmx-users] Question about omega torsion   Erik Lindahl
• [gmx-users] problems with amber force field reading   Bruno Pagano
• [gmx-users] Clarification!   Swetha Vijayakrishan
  • [gmx-users] Clarification!   David van der Spoel
• [gmx-users] g_sgangle not working as expected   Scott Classen
  • [gmx-users] g_sgangle not working as expected   David van der Spoel
  • [gmx-users] g_sgangle not working as expected   Yiannis
• [gmx-users] NPT simulation problems   nicolas Dinter
  • [gmx-users] NPT simulation problems   David van der Spoel
    • [gmx-users] NPT simulation problems   Dr. Christoph Freudenberger
• [gmx-users] AFM pulling: how to determine the spring constant?   Mario Orsi
• [gmx-users] improper dihedral description in ARG topology   F.Hao at chem.rug.nl
  • [gmx-users] improper dihedral description in ARG topology   David
• [gmx-users] pairs in OPLS   Lars Schaefer
  • [gmx-users] pairs in OPLS   David
• [gmx-users] problem pdb2gmx and dummy   gerph at correo.unam.mx
  • [gmx-users] problem pdb2gmx and dummy   David
• [gmx-users] NPT simulation problems   nicolas Dinter
  • [gmx-users] NPT simulation problems   David van der Spoel
• [gmx-users] (no subject)   コウ チ
• [gmx-users] NPT simulation problems   nicolas Dinter
  • [gmx-users] NPT simulation problems   David van der Spoel
• [gmx-users] FAD containing protein   Andrea Carotti
• [gmx-users] bfactor   smith
  • [gmx-users] bfactor   David van der Spoel
• [gmx-users] PME, netcharge, implementation, counterions   Y U Sasidhar
  • [gmx-users] PME, netcharge, implementation, counterions   David van der Spoel
    • [gmx-users] PME, netcharge, implementation, counterions   Alan Wilter Sousa da Silva
      • [gmx-users] PME, netcharge, implementation, counterions   David van der Spoel
      • [gmx-users] PME, netcharge, implementation, counterions   Oliver Beckstein
      • [gmx-users] PME, netcharge, implementation, counterions   Alan Wilter Sousa da Silva
• [gmx-users] little bug in g_mindist   Yiannis Nicolis
  • [gmx-users] little bug in g_mindist   David van der Spoel
• [gmx-users] pull code question   Oleg V. Stroganov
• [gmx-users] pull code question   Berk Hess
• [gmx-users] g_hbond results is bus error.   Itamar Kass
  • [gmx-users] g_hbond results is bus error.   David
• [gmx-users] Shake block error:   Ben Roberts
  • [gmx-users] Shake block error:   David van der Spoel
• [gmx-users] eneconv / g_energy troubles   Pim Schravendijk
  • [gmx-users] eneconv / g_energy troubles   David van der Spoel
• [gmx-users] Problems with MD simulations   Tanos
• [gmx-users] Energy minimizations with gmx3.2   Tanos
  • [gmx-users] Energy minimizations with gmx3.2   Ran Friedman
    • [gmx-users] Energy minimizations with gmx3.2   Marc Vogt
      • [gmx-users] Energy minimizations with gmx3.2   David van der Spoel
      • [gmx-users] Energy minimizations with gmx3.2   Marc Vogt
      • [gmx-users] Energy minimizations with gmx3.2   Erik Lindahl
      • [gmx-users] Energy minimizations with gmx3.2   Marc Vogt
      • [gmx-users] Energy minimizations with gmx3.2   David van der Spoel
      • [gmx-users] Energy minimizations with gmx3.2   Marc Vogt
      • [gmx-users] Energy minimizations with gmx3.2   Alan Wilter Sousa da Silva
      • [gmx-users] Energy minimizations with gmx3.2   Marc Vogt
      • [gmx-users] Energy minimizations with gmx3.2   Alan Wilter Sousa da Silva
      • [gmx-users] Energy minimizations with gmx3.2   Marc Vogt
      • [gmx-users] Energy minimizations with gmx3.2   Alan Wilter Sousa da Silva
      • [gmx-users] Energy minimizations with gmx3.2   David
      • [gmx-users] Energy minimizations with gmx3.2   Alan Wilter Sousa da Silva
      • [gmx-users] Energy minimizations with gmx3.2   David
      • [gmx-users] Energy minimizations with gmx3.2   Alan Wilter Sousa da Silva
      • [gmx-users] Energy minimizations with gmx3.2   David
      • [gmx-users] Energy minimizations with gmx3.2   Alan Wilter Sousa da Silva
      • [gmx-users] Energy minimizations with gmx3.2   David van der Spoel
      • [gmx-users] Energy minimizations with gmx3.2   Erik Lindahl
      • [gmx-users] Energy minimizations with gmx3.2   Kay Gottschalk
      • [gmx-users] Energy minimizations with gmx3.2   Kay Gottschalk
      • [gmx-users] Energy minimizations with gmx3.2   Marc Vogt
• [gmx-users] charges in dppc.itp   Yulia Smolinsky
• [gmx-users] fftw and LAM versions   Jon Bernard
  • [gmx-users] fftw and LAM versions   David
    • [gmx-users] change in box-size   Derrick Guang Yuh Lee
      • [gmx-users] change in box-size   Dallas Warren
  • [gmx-users] fftw and LAM versions   Erik Lindahl
• [gmx-users] avg structure   smith
• [gmx-users] compiling on opteron   Pim Schravendijk
  • [gmx-users] compiling on opteron   David
• [gmx-users] covariance   GERMAN PABON
  • [gmx-users] covariance   gianluca santarossa
• [gmx-users] compling on opteron   Pim Schravendijk
• [gmx-users] dmso solvent with opls   Lars Schaefer
• [gmx-users] Re: gmx-users Digest, Vol 1, Issue 1430   Pim Schravendijk
  • [gmx-users] Re: gmx-users Digest, Vol 1, Issue 1430   Erik Lindahl
  • [gmx-users] Benchmarks, two questions   Pim Schravendijk
    • [gmx-users] Benchmarks, two questions   Erik Lindahl
    • [gmx-users] Benchmarks, two questions   David
• [gmx-users] Benchmarks vs memory bandwidth   Mike Sullivan
• [gmx-users] Benchmarks vs memory bandwidth (Mike Sullivan)   Pim Schravendijk
• [gmx-users] pdb2gmx error H atoms not found in rtb Database   p.keymer at student.qut.edu.au
  • [gmx-users] pdb2gmx error H atoms not found in rtb Database   David van der Spoel
    • [gmx-users] PRODRG   Osmany Guirola Cruz
      • [gmx-users] PRODRG   Peter Zoon
      • [gmx-users] PRODRG   Christian Burisch
      • [gmx-users] PRODRG   Peter Zoon
      • [gmx-users] PRODRG   Daan van Aalten
• [gmx-users] PME refs   Y U Sasidhar
• [gmx-users] extracting water molecules from trajectory   Kay Gottschalk
  • [gmx-users] extracting water molecules from trajectory   David van der Spoel
    • [gmx-users] extracting water molecules from trajectory   Kay Gottschalk
      • [gmx-users] extracting water molecules from trajectory   T.A.Wassenaar at chem.rug.nl
• [gmx-users] conversion to .gro   herbst at fhi-berlin.mpg.de
  • [gmx-users] conversion to .gro   Oliver Beckstein
  • [gmx-users] conversion to .gro   Nuno R. L. Ferreira
• [gmx-users] extracting water molecules from trajectory   Berk Hess
• [gmx-users] Performing a MD with PR   Tanos
  • [gmx-users] Performing a MD with PR   Nuno R. L. Ferreira
• [gmx-users] EM problem for homology model !!   narender
  • [gmx-users] EM problem for homology model !!   Kamil Tamiola
    • [gmx-users] EM problem for homology model !!   David
• [gmx-users] g_covar and g_anaeig questions   Q.Z.
• [gmx-users] more questions on g_coar and g_anaeig   Q.Z.
• [gmx-users] PRODRG again   Osmany Guirola Cruz
  • [gmx-users] PRODRG again   Nuno R. L. Ferreira
  • [gmx-users] PRODRG again   Ruben Martinez Buey
  • [gmx-users] PRODRG again   Daan van Aalten
    • [gmx-users] PRODRG again   Alan Wilter Sousa da Silva
• [gmx-users] NPT simulation problem   nicolas Dinter
• [gmx-users] grompp question(caoch)   コウ チ
  • [gmx-users] grompp question(caoch)   David
• [gmx-users] PRODRG again   Ing. Vojtech Spiwok
• [gmx-users] pairs generation   Ghermes Chilov
  • [gmx-users] pairs generation   David
    • [gmx-users] pdb2gmx calls segmentation fault with -ff oplsaa and -dummy aromatics   Ghermes Chilov
      • [gmx-users] pdb2gmx-ff oplsaa and -dummy aromatics   David
• [gmx-users] ewald_util.c, charge and dipole corrections   Y U Sasidhar
  • [gmx-users] ewald_util.c, charge and dipole corrections   David
    • [gmx-users] ewald_util.c, charge and dipole corrections   Y U Sasidhar
• [gmx-users] PRODRG again   Osmany Guirola Cruz
• [gmx-users] OPLS-AA time step   Thomas Stockner
  • [gmx-users] OPLS-AA time step   David
• [gmx-users] Hydrogen Bond in Water SPC by g_hbond   Ester Chiessi
• [gmx-users] FEP and excluded atom interactions   Nuno Micaelo
  • [gmx-users] FEP and excluded atom interactions   Marc Lensink
• [gmx-users] about interaction energy   Jinzhi Tan
• [gmx-users] [Fwd: PRODRG]   David
• [gmx-users] Diferences!   Henrik Rundgren
  • [gmx-users] Diferences!   David
• [gmx-users] The force (4.4) in page 50 of manual   Albert Sun
  • [gmx-users] The force (4.4) in page 50 of manual   David van der Spoel
    • [gmx-users] The using both Buckingham and Lennard Jones type potentials   Pavan K. Naicker
• [gmx-users] David, pls help me with "pdb2gmx"   Yinghong
  • [gmx-users] David, pls help me with "pdb2gmx"   David
• [gmx-users] David, pls help me with "pdb2gmx"   Yinghong
  • [gmx-users] David, pls help me with "pdb2gmx"   David
• [gmx-users] Cluster pb   nicolas Dinter
  • [gmx-users] Cluster pb   Dallas Warren
• [gmx-users] Cluster pb   nicolas Dinter
  • [gmx-users] Cluster pb   Dallas Warren
    • [gmx-users] Cluster pb   David van der Spoel
• [gmx-users] The using both Buckingham and Lennard Jones typepotentials   Berk Hess
• [gmx-users] Re:differences   Henrik Rundgren
  • [gmx-users] Re:differences   David van der Spoel
• [gmx-users] Coulomb interactions (PME)   Misha
• [gmx-users] David, pls help me with "pdb2gmx"   Yinghong
  • [gmx-users] David, pls help me with "pdb2gmx"   David van der Spoel
• [gmx-users] OPLS question   Jee E Rim
  • [gmx-users] OPLS question   David van der Spoel
    • [gmx-users] OPLS question   Jee E Rim
      • [gmx-users] OPLS question   David van der Spoel
  • [gmx-users] OPLS question   Lars Schaefer
    • [gmx-users] OPLS question   Jee E Rim
• [gmx-users] G5 performance tweaks   Pascal Mercier
  • [gmx-users] G5 performance tweaks   David
• [gmx-users] pls help me with the interaction energy!   Jinzhi Tan
  • [gmx-users] pls help me with the interaction energy!   David van der Spoel
• [gmx-users] Lincs warnings   Andreas Kukol
• [gmx-users] [pairs] section   Nuno R. L. Ferreira
  • [gmx-users] [pairs] section   David
• [gmx-users] assembly loops for itanium   Y U Sasidhar
  • [gmx-users] assembly loops for itanium   David van der Spoel
• [gmx-users] job crash   B. Nick
  • [gmx-users] job crash   David van der Spoel
• [gmx-users] RE: job crashes   B. Nick
  • [gmx-users] RE: job crashes   David van der Spoel
• [gmx-users] show extrem.pdb from g_anaeig   Q.Z.
  • [gmx-users] show extrem.pdb from g_anaeig   David
• [gmx-users] Villin Benchmarks   Seonah Kim
  • [gmx-users] Villin Benchmarks   David van der Spoel
• [gmx-users] coarse grained lipid model   Luke Czapla
• [gmx-users] coarse grained lipid model   Li Dawei
• [gmx-users] annealing parameters   Ghermes Chilov
  • [gmx-users] annealing parameters   Ghermes Chilov
    • [gmx-users] Problem concerning topology   Heikki Käsnänen
    • [gmx-users] annealing parameters   Ghermes Chilov
• [gmx-users] A question when mdrun   =?gb2312?B?5bC55L+K?=
• [gmx-users] RE: job crashes   B. Nick
• [gmx-users] window version of gromacs 3.2.1   Sunita Patel
  • [gmx-users] window version of gromacs 3.2.1   Nuno R. L. Ferreira
• [gmx-users] an error message   Mu Yuguang (Dr)
  • [gmx-users] an error message   David
• [gmx-users] CG lipid model   ashish misra
  • [gmx-users] CG lipid model   Xavier Periole
• [gmx-users] automatic selections with interactive gmx commands   gianluca santarossa
  • [gmx-users] automatic selections with interactive gmx commands   Oliver Beckstein
    • [gmx-users] automatic selections with interactive gmx commands   David
      • [gmx-users] automatic selections with interactive gmx commands   Martin Mucha
  • [gmx-users] automatic selections with interactive gmx commands   Ghermes Chilov
    • [gmx-users] automatic selections with interactive gmx commands   gianluca santarossa
      • [gmx-users] automatic selections with interactive gmx commands   Marc Lensink
      • [gmx-users] automatic selections with interactive gmx commands   David
• [gmx-users] Truncated Octahedron Box   Seonah Kim
  • [gmx-users] Truncated Octahedron Box   David

Last message date: Mon May 31 22:05:41 CEST 2004
Archived on: Thu Nov 14 12:00:50 CET 2013

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