August 2003 Archives by thread

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Starting: Fri Aug 1 00:59:00 CEST 2003
Ending: Sun Aug 31 17:29:00 CEST 2003
Messages: 332

• [gmx-users] benchmarking results   Erik Lindahl
  • [gmx-users] RE: [gmx-users]   Ilya Chorny
    • [gmx-users] RE: [gmx-users]   David
• [gmx-users] graphite   Yuguang Mu
• [gmx-users] Simulated annealing (now genbox)   David van der Spoel
• [gmx-users] Langevin dynamics   Anton Feenstra
• [gmx-users] back calculation of NOE:s   Anton Feenstra
  • [gmx-users] Langevin dynamics   Alan Wilter Sousa da Silva
    • [gmx-users] Langevin dynamics   Anton Feenstra
• [gmx-users] 1-4 LJ parameters for OW   Pedro Alexandre Lapido Loureiro
  • [gmx-users] 1-4 LJ parameters for OW   Erik Lindahl
• [gmx-users] Re: Inquiry Again.   Albert Sun
  • [gmx-users] Re: Inquiry Again.   Anton Feenstra
• [gmx-users] disulfide bond   Nagy, Peter I.
  • [gmx-users] disulfide bond   Marc Ceruso
• [gmx-users] how to set up an electric fields!!!!!!   nanyu101
• [gmx-users] Drug - Enzyme tutorial   Dastmalchi
  • [gmx-users] Drug - Enzyme tutorial   Anton Feenstra
• [gmx-users] topology file   Dastmalchi
• [gmx-users] (no subject)   Jayant James Jayasundar
  • [gmx-users] (no subject)   David
• [gmx-users] Where to find Gromacs 3.1.5?   Semen Esilevsky
  • [gmx-users] Where to find Gromacs 3.1.5?   David
• [gmx-users] RE: Drug - Enzyme tutorial (Dastmalchi)   Ing. Vojtěch Spiwok
• [gmx-users] g_rdf   Kay Gottschalk
  • [gmx-users] g_rdf   David
    • [gmx-users] g_rdf   Kay Gottschalk
    • [gmx-users] g_rdf   Anton Feenstra
      • [gmx-users] g_rdf   Kay Gottschalk
      • [gmx-users] g_rdf   Anton Feenstra
      • [gmx-users] g_rdf   Kay Gottschalk
      • [gmx-users] g_rdf   Christoph Freudenberger
      • [gmx-users] g_rdf   Kay Gottschalk
      • [gmx-users] g_rdf   Anton Feenstra
      • [gmx-users] g_rdf   David
      • [gmx-users] g_rdf   Kay Gottschalk
• [gmx-users] cpp and SGI irix 6.5   jxs818 at bham.ac.uk
  • [gmx-users] cpp and SGI irix 6.5   David
    • [gmx-users] cpp and SGI irix 6.5   Anton Feenstra
• [gmx-users] g_rdf   Kay Gottschalk
• [gmx-users] Mpi version of GROMACS - Doubt about its performance   Alexandre Suman de Araujo
  • [gmx-users] Mpi version of GROMACS - Doubt about its performance   Shang-Te Danny Hsu
    • [gmx-users] Mpi version of GROMACS - Doubt about its performance   Alexandre Suman de Araujo
      • [gmx-users] Mpi version of GROMACS - Doubt about its performance   Shang-Te Danny Hsu
  • [gmx-users] Mpi version of GROMACS - Doubt about its performance   Jay Mashl
    • [gmx-users] Mpi version of GROMACS - Doubt about its performance   David
      • [gmx-users] Mpi version of GROMACS - Doubt about its performance   Alexandre Suman de Araujo
• [gmx-users] Calculation stopping   Tanos
  • [gmx-users] Calculation stopping   David
• [gmx-users] linear molecule   Yuguang Mu
  • [gmx-users] linear molecule   David
    • [gmx-users] linear molecule   Yuguang Mu
      • [gmx-users] linear molecule   David
      • [gmx-users] paralel scaleing   Yuguang Mu
      • [gmx-users] paralel scaleing   David van der Spoel
      • [gmx-users] paralel scaleing   Bert de Groot
      • [gmx-users] paralel scaleing   Yuguang Mu
      • [gmx-users] paralel scaleing   Yuguang Mu
      • [gmx-users] paralel scaleing   David
      • [gmx-users] paralel scaleing   Yuguang Mu
      • [gmx-users] paralel scaleing   David
  • [gmx-users] linear molecule   Daan van Aalten
• [gmx-users] fail adding an external electric field   nanyu101
  • [gmx-users] fail adding an external electric field   David
• [gmx-users] fail adding an external electric field 2   nanyu101
  • [gmx-users] fail adding an external electric field 2   David
  • [gmx-users] fail adding an external electric field 2   Rainer Boeckmann
    • [gmx-users] fail adding an external electric field 2   Anton Feenstra
• [gmx-users] fail adding an external electric field 3   nanyu101
  • [gmx-users] fail adding an external electric field 3   David
• [gmx-users] E_z meanings   nanyu101
  • [gmx-users] E_z meanings   Anton Feenstra
• [gmx-users] SPC - hydrogen bonding..   Giorgos Karvounis
• [gmx-users] Clustermatic   Jason DeJoannis
• [gmx-users] how to introduce vacuum??   Vivek Raut
  • [gmx-users] how to introduce vacuum??   Pedro Alexandre Lapido Loureiro
    • [gmx-users] how to introduce vacuum??   Oliver Beckstein
      • [gmx-users] how to introduce vacuum??   Bert de Groot
      • [gmx-users] how to introduce vacuum??   Anton Feenstra
• [gmx-users] PME failed!!!!!   nanyu101
  • [gmx-users] PME failed!!!!!   Xavier Periole
  • [gmx-users] PME failed!!!!!   David
• [gmx-users] Where is the Drug-enzyme tutorial ?   Jia-Lin Lo
• [gmx-users] OPLS-AA Coulomb-14 energies incorrect?   Malcolm Gillies
  • [gmx-users] OPLS-AA Coulomb-14 energies incorrect?   Erik Lindahl
    • [gmx-users] OPLS-AA Coulomb-14 energies incorrect?   Malcolm Gillies
  • [gmx-users] OPLS-AA Coulomb-14 energies incorrect!   David
• [gmx-users] PME failed!!!!! again   nanyu101
• [gmx-users] Amber OPLS dihedral conversion to GROMACS RB   DaJustice1 at aol.com
  • [gmx-users] Amber OPLS dihedral conversion to GROMACS RB   Malcolm Gillies
  • [gmx-users] Amber OPLS dihedral conversion to GROMACS RB   Anton Feenstra
• [gmx-users] g_msd, segmentation fault with options -trestart and -mol   Vincent Ballenegger
• [gmx-users] Removal of angular velocity   Michael Shirts
  • [gmx-users] Removal of angular velocity   David
    • [gmx-users] Removal of angular velocity   Erik Lindahl
• [gmx-users] how to shift the peptide towards the bottom of the box??   Vivek Raut
  • [gmx-users] how to shift the peptide towards the bottom of the box??   Xavier Periole
  • [gmx-users] how to shift the peptide towards the bottom of the box??   David
• [gmx-users] PME problem 2!!   nanyu101
• [gmx-users] get_index   Dallas Warren
  • [gmx-users] get_index   David
• [gmx-users] equilibration   Arvid Soederhaell
  • [gmx-users] equilibration   Mehmet Suezen
  • [gmx-users] equilibration   Xavier Periole
    • [gmx-users] equilibration   Anton Feenstra
  • [gmx-users] equilibration   Anton Feenstra
• [gmx-users] g_rdf   Berk Hess
• [gmx-users] [gmx-users]Running gromacs in parrallel environment.   Vishal Kumar Sinha
  • [gmx-users] [gmx-users]Running gromacs in parrallel environment.   Anton Feenstra
• [gmx-users] pull code for speptide   YSUN at mie.utoronto.ca
• [gmx-users] infinite systems   Yuguang Mu
  • [gmx-users] infinite systems   Anton Feenstra
  • [gmx-users] infinite systems   David
• [gmx-users] basic question for a MD run   jean-marc vuissoz
  • [gmx-users] basic question for a MD run   David
• [gmx-users] Generating Topology File   Ilya Chorny
  • [gmx-users] Generating Topology File   Daan van Aalten
    • [gmx-users] Topology File   Albert Sun
      • [gmx-users] Topology File   Anton Feenstra
• [gmx-users] Error prb   Sachin Gursahani
  • [gmx-users] Error prb   Xavier Periole
    • [gmx-users] Error prb   Tsjerk Wassenaar
      • [gmx-users] Error prb   Marco Ceruso
    • [gmx-users] Error prb   Anton Feenstra
      • [gmx-users] Error prb   Tsjerk Wassenaar
      • [gmx-users] Error prb   Anton Feenstra
• [gmx-users] A question on simulation carbon nanotubes   zhangwei
  • [gmx-users] A question on simulation carbon nanotubes   Anton Feenstra
• [gmx-users] Visualizing Gromacs trajectories with InsightII   Anu Tervo
  • [gmx-users] Visualizing Gromacs trajectories with InsightII   Anton Feenstra
• [gmx-users] crash   Derrick Guang Yuh Lee
  • [gmx-users] crash   Dallas Warren
  • [gmx-users] crash   Tsjerk Wassenaar
    • [gmx-users] 1 ps simulation   Derrick Guang Yuh Lee
      • [gmx-users] 1 ps simulation   Marco Ceruso
      • [gmx-users] 1 ps simulation   Derrick Guang Yuh Lee
    • [gmx-users] adding water   Derrick Guang Yuh Lee
      • [gmx-users] adding water   David
      • [gmx-users] adding water   Derrick Guang Yuh Lee
      • [gmx-users] adding water   Dallas Warren
      • [gmx-users] adding water   Derrick Guang Yuh Lee
      • [gmx-users] adding water   Dallas Warren
• [gmx-users] Hidrogen bond force   lpgomes at procc.fiocruz.br
  • [gmx-users] Hidrogen bond force   Marco Ceruso
    • [gmx-users] Hidrogen bond force   Anton Feenstra
• [gmx-users] pull code for speptide   ysun at mie.utoronto.ca
  • [gmx-users] pull code for speptide   Marco Ceruso
• [gmx-users] Amber OPLS dihedral conversion to GROMACS RB   DaJustice1 at aol.com
• [gmx-users] pull code for speptide   ysun at mie.utoronto.ca
  • [gmx-users] pull code for speptide   Frauke Meyer
• [gmx-users] File not found error   Sunita Patel
  • [gmx-users] File not found error   Anton Feenstra
    • [gmx-users] File not found error   Oliver Beckstein
• [gmx-users] Re: Visualizing Gromacs trajectories with InsightII   Mikko Huhtala
• [gmx-users] pH   Osmany Guirola Cruz
  • [gmx-users] pH   Oliver Beckstein
  • [gmx-users] pH   Marco Ceruso
  • [gmx-users] pH   Xavier Periole
    • [gmx-users] pH   Marc Baaden
  • [gmx-users] pH   Xavier Periole
  • [gmx-users] pH   baptista at itqb.unl.pt
• [gmx-users] pull code for speptide : floating exception   Yabias Sun
• [gmx-users] position restrain energy in stochastic dynamics   F.Hao at chem.rug.nl
  • [gmx-users] position restrain energy in stochastic dynamics   Xavier Periole
    • [gmx-users] position restrain energy in stochastic dynamics   Anton Feenstra
• [gmx-users] palmitoyl   Nagy, Peter I.
  • [gmx-users] palmitoyl   Xavier Periole
    • [gmx-users] palmitoyl   Anton Feenstra
• [gmx-users] secondary structure   Yuguang Mu
  • [gmx-users] secondary structure   Itamar Kass
  • [gmx-users] secondary structure   Marc Ceruso
• [gmx-users] parameters/references   Nagy, Peter I.
• [gmx-users] how to modify Dielectric constant (DC)   Vivek Raut
  • [gmx-users] how to modify Dielectric constant (DC)   Lianqing Zheng
  • [gmx-users] how to modify Dielectric constant (DC)   Vivek Raut
    • [gmx-users] how to modify Dielectric constant (DC)   Anton Feenstra
• [gmx-users] (no subject)   Attila Borics
  • [gmx-users] (no subject)   Xavier Periole
  • [gmx-users] (no subject)   Anton Feenstra
• [gmx-users] PRODRG and partial charges   Douglas Ridgway
  • [gmx-users] PRODRG and partial charges   Erik Lindahl
  • [gmx-users] PRODRG and partial charges   Anton Feenstra
• [gmx-users] demo´s segmentation fault   Dr. Ramón Garduño-Juárez
• [gmx-users] tip4p or spc for oplsaa?   s8026264
  • [gmx-users] tip4p or spc for oplsaa?   Erik Lindahl
• [gmx-users] Re: gmx-users digest, Vol 1 #932 - 5 msgs   F.Hao at chem.rug.nl
  • [gmx-users] Re: gmx-users digest, Vol 1 #932 - 5 msgs   Anton Feenstra
• [gmx-users] Lagevin dynamics   Tanos
  • [gmx-users] Lagevin dynamics   Anton Feenstra
• [gmx-users] A question on [ bonds ]   zhangwei
  • [gmx-users] A question on [ bonds ]   Daan van Aalten
  • [gmx-users] A question on [ bonds ]   David
  • [gmx-users] A question on [ bonds ]   Anton Feenstra
• [gmx-users] Group virial   Pedro Alexandre Lapido Loureiro
  • [gmx-users] Group virial   DV
    • [gmx-users] Group virial   David
  • [gmx-users] Group virial   David
    • [gmx-users] Group virial   Pedro Alexandre Lapido Loureiro
      • [gmx-users] Group virial   Anton Feenstra
• [gmx-users] Simulation Crashing   Alexandre Suman de Araujo
  • [gmx-users] Simulation Crashing   David
    • [gmx-users] Simulation Crashing   Alexandre Suman de Araujo
      • [gmx-users] Simulation Crashing   Anton Feenstra
• [gmx-users] Some questions: epsilon_r , DispCorr , g_velacc and PME   Nuno R. L. Ferreira
  • [gmx-users] Some questions: epsilon_r , DispCorr , g_velacc and PME   David
    • [gmx-users] Some questions: epsilon_r , DispCorr , g_velacc and PME   Anton Feenstra
• [gmx-users] compilation problems under cygwin   Claudio J. Margulis
  • [gmx-users] compilation problems under cygwin   Erik Lindahl
• [gmx-users] [Fwd: compilation problems under cygwin]   Claudio J. Margulis
• [gmx-users] gromacs under cygwin   Claudio J. Margulis
  • [gmx-users] gromacs under cygwin   DV
• [gmx-users] harmonic angle potential   Michael Patra
  • [gmx-users] harmonic angle potential   David
• [gmx-users] gromacs under cygwin   Claudio J. Margulis
  • [gmx-users] gromacs under cygwin   DV
• [gmx-users] gromacs under cygwin   Claudio J. Margulis
• [gmx-users] cluster types supported   Mike Grommet
  • [gmx-users] cluster types supported   Erik Lindahl
    • [gmx-users] cluster types supported   Mike Grommet
      • [gmx-users] cluster types supported   Erik Lindahl
• [gmx-users] Re: gmx-users digest, Vol 1 #937 - 8 msgs   Tanos
  • [gmx-users] Re: gmx-users digest, Vol 1 #937 - 8 msgs   Anton Feenstra
• [gmx-users] Re: gmx-users digest, Vol 1 #937 - 8 msgs   Alan Wilter Sousa da Silva
  • [gmx-users] Re: gmx-users digest, Vol 1 #937 - 8 msgs   Mike Grommet
• [gmx-users] pull code for speptide : floating exception   ysun at mie.utoronto.ca
• [gmx-users] Re : adding water   Senthil Kandasamy
  • [gmx-users] Re : adding water   Andre Farias de Moura
• [gmx-users] Re: gmx-users digest, Vol 1 #938 - 12 msgs   Mr.Sridhar
  • [gmx-users] Re: gmx-users digest, Vol 1 #938 - 12 msgs   David van der Spoel
• [gmx-users] cluster types supported   Mikko Huhtala
• [gmx-users] Gromacs job locks up computer (reproducibly)   Marc Baaden
  • [gmx-users] Gromacs job locks up computer (reproducibly)   Xavier Periole
    • [gmx-users] Gromacs job locks up computer (reproducibly)   Marc Baaden
      • [gmx-users] Gromacs job locks up computer (reproducibly)   Erik Lindahl
  • [gmx-users] Gromacs job locks up computer (reproducibly)   Anton Feenstra
  • [gmx-users] Gromacs job locks up computer (reproducibly)   Ramon Garcia Fernandez
  • [gmx-users] Gromacs job locks up computer (reproducibly)   Peter C. Lai
• [gmx-users] Counter ions problem   Andrea Bernini
  • [gmx-users] Counter ions problem   Pedro Alexandre Lapido Loureiro
  • [gmx-users] Counter ions problem   Xavier Periole
• [gmx-users] Multiple torsional parameters   Pedro Alexandre Lapido Loureiro
  • [gmx-users] Multiple torsional parameters   Yuguang Mu
    • [gmx-users] Multiple torsional parameters   Pedro Alexandre Lapido Loureiro
      • [gmx-users] Multiple torsional parameters   Yuguang Mu
  • [gmx-users] Multiple torsional parameters   Anton Feenstra
    • [gmx-users] Multiple torsional parameters   Pedro Alexandre Lapido Loureiro
      • [gmx-users] Multiple torsional parameters   Marcos Villarreal
      • [gmx-users] OPLS C-terminal Capping of Glu residue a bug?   Marco Ceruso
      • [gmx-users] OPLS C-terminal Capping of Glu residue a bug?   Erik Lindahl
      • [gmx-users] OPLS C-terminal Capping of Glu residue a bug?   Marco Ceruso
      • [gmx-users] OPLS C-terminal Capping of Glu residue a bug?   Erik Lindahl
• [gmx-users] how to modify the peptide end groups??   Vivek Raut
  • [gmx-users] how to modify the peptide end groups??   Marco Ceruso
• [gmx-users] cvs download   David L. Bostick
• [gmx-users] how to make end groups charged??   Vivek Raut
  • [gmx-users] how to make end groups charged??   Marco Ceruso
  • [gmx-users] how to make end groups charged??   Anton Feenstra
• [gmx-users] make_ndx seg fault   Joseph F. Danzer
• [gmx-users] Problems with Energy Minimization   Alexandre Suman de Araujo
• [gmx-users] normal modes analysis   Osmair Vital de Oliveira
  • [gmx-users] normal modes analysis   Nguyen Hoang Phuong
  • [gmx-users] normal modes analysis   Anton Feenstra
• [gmx-users] Problems with undefined Bond types, angles and dihedrals   Mr.Sridhar
• [gmx-users] Re: cvs download   Berk Hess
  • [gmx-users] Re: cvs download   David L. Bostick
• [gmx-users] cvs download again   David L. Bostick
• [gmx-users] Multiple torsional parameters   Pedro Alexandre Lapido Loureiro
• [gmx-users] how to fix atoms in bulk?   Vivek Raut
  • [gmx-users] how to fix atoms in bulk?   Xavier Periole
    • [gmx-users] how to fix atoms in bulk?   David
• [gmx-users] Segmentation fault.   Wei Zhang
• [gmx-users] best cluster for gromacs   Bert de Groot
  • [gmx-users] best cluster for gromacs   David
  • [gmx-users] doubel precision   Yuguang Mu
    • [gmx-users] doubel precision   David van der Spoel
• [gmx-users] mdrun crash when -np 8, not when -np 4   Malcolm Gillies
  • [gmx-users] mdrun crash when -np 8, not when -np 4   David van der Spoel
    • [gmx-users] a question   Yuguang Mu
      • [gmx-users] a question   David van der Spoel
      • [gmx-users] a question   Yuguang Mu
      • [gmx-users] a question   David van der Spoel
    • [gmx-users] mdrun crash when -np 8, not when -np 4   Malcolm Gillies
      • [gmx-users] mdrun crash when -np 8, not when -np 4   David
• [gmx-users] histidine charges   Aswin Narain
  • [gmx-users] histidine charges   Anton Feenstra
• [gmx-users] growing ligands in binding pockets   jxs818 at bham.ac.uk
  • [gmx-users] growing ligands in binding pockets   Anton Feenstra
  • [gmx-users] growing ligands in binding pockets   Xavier Periole
• [gmx-users] rhombic dodecahedron membrane simulations   Krzysztof Murzyn
  • [gmx-users] rhombic dodecahedron membrane simulations   David van der Spoel
• [gmx-users] gromacs under cygwin   Eric Edward Keaveny
• [gmx-users] gromacs under sunMPI   Vishal Kumar Sinha
  • [gmx-users] gromacs under sunMPI   Erik Lindahl
  • [gmx-users] gromacs under sunMPI   cpchng at bii.a-star.edu.sg
• [gmx-users] OPLS C-terminal Capping of Glu residue a bug?   taeho.kim at utoronto.ca
  • [gmx-users] OPLS C-terminal Capping of Glu residue a bug?   Erik Lindahl
• [gmx-users] appropriate coupling constants for extended systems   Malcolm Gillies
• [gmx-users] trjconv   Tanos
  • [gmx-users] trjconv   Xavier Periole
  • [gmx-users] trjconv   Marco Ceruso
• [gmx-users] Re: GROMACS question   K.A. Feenstra
• [gmx-users] D-L conversion!   Swetha Vijayakrishan
  • [gmx-users] D-L conversion!   David van der Spoel
  • [gmx-users] D-L conversion!   Anton Feenstra
• [gmx-users] the nucleotide thymine (THY) in gromacs   Kristina Nicole Woods
• [gmx-users] trjconv again   Tanos
  • [gmx-users] trjconv again   Xavier Periole
    • [gmx-users] ngmx: Segmentation fault   Albert Sun
      • [gmx-users] ngmx: Segmentation fault   David van der Spoel
      • [gmx-users] ngmx: Segmentation fault   Albert Sun
      • [gmx-users] ngmx: Segmentation fault   David
      • [gmx-users] ngmx: Segmentation fault   Albert Sun
      • [gmx-users] ngmx: Segmentation fault   Albert Sun
      • [gmx-users] ngmx: Segmentation fault   David
      • [gmx-users] ngmx: Segmentation fault   Albert Sun
• [gmx-users] Re: D-L conversion! (Swetha Vijayakrishan)   Ing. Vojtěch Spiwok
• [gmx-users] 1-4 terms in Amber-Gmx traslate   Gianfranco Bocchinfuso
• [gmx-users] Seg Fault during pdb2gmx in demo   Eric Edward Keaveny
• [gmx-users] Re: [gmx-developers] RE: gmx-developers digest, Vol 1 #214 - 3 msgs   David van der Spoel
• [gmx-users] D-L conversion!   Ing. Vojtěch Spiwok
• [gmx-users] bond angle constraints   jxs818 at bham.ac.uk
• [gmx-users] about PETA   Alan Wilter Sousa da Silva
• [gmx-users] 1-4 interactions   Pedro Alexandre Lapido Loureiro
• [gmx-users] Gromacs job locks up computer (reproducibly)   Justin MacCallum
• [gmx-users] scalable PBS   Justin MacCallum
  • [gmx-users] scalable PBS   Erik Lindahl
• [gmx-users] g_velacc again   Nuno R. L. Ferreira
  • [gmx-users] g_velacc again   David
• [gmx-users] g_velacc again   Nuno R. L. Ferreira
• [gmx-users] Steepest descent and max(|F|)   s8026264
  • [gmx-users] Steepest descent and max(|F|)   Erik Lindahl

Last message date: Sun Aug 31 17:29:00 CEST 2003
Archived on: Thu Nov 14 12:00:18 CET 2013

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