August 2003 Archives by author

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

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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