October 2003 Archives by date

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Starting: Wed Oct 1 02:46:01 CEST 2003
Ending: Fri Oct 31 20:08:01 CET 2003
Messages: 372

[gmx-users] about editconf parinald at unsl.edu.ar
[gmx-users] install problem under cygwin hiroo_fukunaga at fujifilm.co.jp
[gmx-users] pressure coupling questions Erik Lindahl
[gmx-users] about editconf Lieven Buts
[gmx-users] about editconf Marco Ceruso
[gmx-users] g_gyrate Anton Feenstra
[gmx-users] Gromacs on Gigabit Ethernet Dual Opteron Cluster Ghermes Chilov
[gmx-users] about GROMPP-PR parinald at unsl.edu.ar
[gmx-users] about GROMPP-PR Xavier Periole
[gmx-users] about editconf Anton Feenstra
[gmx-users] topology file for heme a3 Anton Feenstra
[gmx-users] infinite molecule problems Anton Feenstra
[gmx-users] topology file for heme a3 Aldo Jongejan
[gmx-users] (no subject) Chiara Villa
[gmx-users] RMSD Chiara Villa
[gmx-users] rmsd Chiara Villa
[gmx-users] rmsd Daan van Aalten
[gmx-users] g_rdf Kay Gottschalk
[gmx-users] g_rdf Marcos Villarreal
[gmx-users] g_rdf Nguyen Hoang Phuong
[gmx-users] Two questions. Alexandre Suman de Araujo
[gmx-users] g_rdf Kay Gottschalk
[gmx-users] soft core potential Ilya Chorny
[gmx-users] dummies...confused Senthil Kandasamy
[gmx-users] Re: install problem under cygwin hiroo_fukunaga at fujifilm.co.jp
[gmx-users] about MDRUN-PR parinald at unsl.edu.ar
[gmx-users] about MDRUN-PR Xavier Periole
[gmx-users] gromacs use CORINA BARBU
[gmx-users] OPLS-AA settings B. Nick
[gmx-users] about MDRUN-PR parinald at unsl.edu.ar
[gmx-users] dioxothiomolybdenum Dastmalchi
[gmx-users] native contact s8026264
[gmx-users] dioxothiomolybdenum Erik Lindahl
[gmx-users] g_energy selections QZ
[gmx-users] Gromacs on Gigabit Ethernet Dual Opteron Cluster David
[gmx-users] Two questions. Anton Feenstra
[gmx-users] Gromacs on Gigabit Ethernet Dual Opteron Cluster Anton Feenstra
[gmx-users] g_energy selections Anton Feenstra
[gmx-users] native contact Anton Feenstra
[gmx-users] gromacs use Anton Feenstra
[gmx-users] about MDRUN-PR Anton Feenstra
[gmx-users] Re: install problem under cygwin Anton Feenstra
[gmx-users] dummies...confused Anton Feenstra
[gmx-users] Gromacs on Gigabit Ethernet Dual Opteron Cluster Ghermes Chilov
[gmx-users] Gromacs on Gigabit Ethernet Dual Opteron Cluster Bert de Groot
[gmx-users] Gromacs on Gigabit Ethernet Dual Opteron Cluster Anton Feenstra
[gmx-users] Gromacs on Gigabit Ethernet Dual Opteron Cluster Ghermes Chilov
[gmx-users] Gromacs on Gigabit Ethernet Dual Opteron Cluster Ghermes Chilov
[gmx-users] unscribe please Yuguang Mu
[gmx-users] Pressure coupling for anisotropic system hiroo_fukunaga at fujifilm.co.jp
[gmx-users] Gromacs on Gigabit Ethernet Dual Opteron Cluster Erik Lindahl
[gmx-users] Pressure coupling for anisotropic system Erik Lindahl
[gmx-users] soft core potential Ilya Chorny
[gmx-users] clustering Ilya Chorny
[gmx-users] Using dummies in lipids Senthil Kandasamy
[gmx-users] soft core potential Erik Lindahl
[gmx-users] clustering Erik Lindahl
[gmx-users] soft core potential Ilya Chorny
[gmx-users] soft core potential Erik Lindahl
[gmx-users] soft core potential Ilya Chorny
[gmx-users] soft core potential Erik Lindahl
[gmx-users] Poor stupid Athlons... Justin MacCallum
[gmx-users] Poor stupid Athlons... Erik Lindahl
[gmx-users] Problem with eneconv documentation in CVS Dallas Warren
[gmx-users] Parameterised PGO Reasonable? Dallas Warren
[gmx-users] PRODRG with all hydrogens Markus O Kaukonen
[gmx-users] initial temperature Roman Martonak (CSCS)
[gmx-users] Is there C=C in ffgmx.atp? Markus O Kaukonen
[gmx-users] athlon/xeon/opteron Bert de Groot
[gmx-users] Terminal groups problem Oleg V. Stroganov
[gmx-users] SSE on AMD Alan Wilter Sousa da Silva
[gmx-users] SSE on AMD Erik Lindahl
[gmx-users] Parameterised propylene glycol uploaded Dallas Warren
[gmx-users] Terminal groups problem Andrey V Golovin
[gmx-users] Anisotropic system with coulomb(PME) + Buckinghum hiroo_fukunaga at fujifilm.co.jp
[gmx-users] Terminal groups problem Oleg V. Stroganov
[gmx-users] AMD vs. XEON Ilya Chorny
[gmx-users] Re: SSE on AMD Alan Wilter Sousa da Silva
[gmx-users] trouble adding c-terminal formyl group to ff*.rtp Senthil Kandasamy
[gmx-users] Re: SSE on AMD (fwd) Alan Wilter Sousa da Silva
[gmx-users] segmentation fault / rdgroup.c N. Kelley
[gmx-users] Pressure coupling for anisotropic system Anton Feenstra
[gmx-users] Using dummies in lipids Anton Feenstra
[gmx-users] how to export the figure plotted by ngmx xiaoyi li
[gmx-users] how to export the figure plotted by ngmx David van der Spoel
[gmx-users] testing GROMACS on a cluster of Power4 IBM Therese Malliavin
[gmx-users] Saving .gro and .pdb files Tanos
[gmx-users] Saving .gro and .pdb files Marcos Villarreal
[gmx-users] deleting duplicate atoms Lakshmi Padmavathi
[gmx-users] compiler options Shrivastava, Indira (NIH/NCI)
[gmx-users] AMD vs. XEON Erik Lindahl
[gmx-users] Re: SSE on AMD (fwd) Erik Lindahl
[gmx-users] A strange phenomenon in the new version opls-aa force field PeiQuan Chen
[gmx-users] g_gyrate Dallas Warren
[gmx-users] A strange phenomenon in the new version opls-aa force field Erik Lindahl
[gmx-users] trouble adding c-terminal formyl group to ff*.rtp Anton Feenstra
[gmx-users] Anisotropic system with coulomb(PME) + Buckinghum Anton Feenstra
[gmx-users] Terminal groups problem Anton Feenstra
[gmx-users] Is there C=C in ffgmx.atp? Anton Feenstra
[gmx-users] initial temperature Anton Feenstra
[gmx-users] PRODRG with all hydrogens Anton Feenstra
[gmx-users] Temperature and pressure scaling with frozen protein Michel Cuendet
[gmx-users] compiler options David van der Spoel
[gmx-users] g_gyrate David van der Spoel
[gmx-users] Saving .gro and .pdb files David van der Spoel
[gmx-users] Re: deleting duplicating atoms Anton Feenstra
[gmx-users] Re: Re: Terminal groups problem Oleg V. Stroganov
[gmx-users] A strange phenomenon in the new version opls-aa force field PeiQuan Chen
[gmx-users] g_gyrate Marc Baaden
[gmx-users] Re: A strange phenomenon in the new version opls-aa force field Erik Lindahl
[gmx-users] Peptide interactions with membrane lipids Aswin Sai Narain
[gmx-users] Thanks !!!!!!! Tanos
[gmx-users] Peptide interactions with membrane lipids David
[gmx-users] question about xaver.pdb from g_rmsf Marc Baaden
[gmx-users] question about xaver.pdb from g_rmsf David
[gmx-users] Peptide interactions with membrane lipids Aswin Sai Narain
[gmx-users] Peptide interactions with membrane lipids David
[gmx-users] Peptide interactions with membrane lipids Aswin Sai Narain
[gmx-users] Peptide interactions with membrane lipids David
[gmx-users] view XPM files? Valentin Gogonea
[gmx-users] differential update for BD James A. Dix
[gmx-users] installation error on macosX Senthil Kandasamy
[gmx-users] installation error on macosX Chng Choon Peng
[gmx-users] error CORINA BARBU
[gmx-users] error Dallas Warren
[gmx-users] rmsd b/w average structure and the trajectory QZ
[gmx-users] error David
[gmx-users] g_rdf Kay Gottschalk
[gmx-users] ffopls.rtp Ilya Chorny
[gmx-users] tru64 alpha Mu Yuguang (Dr)
[gmx-users] ffopls.rtp David
[gmx-users] tru64 alpha David
[gmx-users] impropers prasad
[gmx-users] changing g_rdf Kay Gottschalk
[gmx-users] changing g_rdf Marc Baaden
[gmx-users] changing g_rdf Kay Gottschalk
[gmx-users] Problems compiling Andrea Carotti
[gmx-users] Re: scaling issues in GROMACS David
[gmx-users] Re: scaling issues in GROMACS David
[gmx-users] Re: scaling issues in GROMACS Erik Lindahl
[gmx-users] Re: scaling issues in GROMACS Y U Sasidhar
[gmx-users] Re: scaling issues in GROMACS Erik Lindahl
[gmx-users] grompp problem Vivek Raut
[gmx-users] grompp problem David
[gmx-users] Re: NEMD (fwd) David
[gmx-users] impropers Anton Feenstra
[gmx-users] rmsd b/w average structure and the trajectory Anton Feenstra
[gmx-users] differential update for BD Anton Feenstra
[gmx-users] Program trjconv question PeiQuan Chen
[gmx-users] Program trjconv question David van der Spoel
[gmx-users] g_rdf Christoph Freudenberger
[gmx-users] constraint error xiaoyi li
[gmx-users] constraint error xiaoyi li
[gmx-users] parrinello-rahman to wrong pressure Michel Cuendet
[gmx-users] Re: gmx-users digest, Vol 1 #1025 - 8 msgs Lakshmi Padmavathi
[gmx-users] LINKs problem in MD run Lakshmi Padmavathi
[gmx-users] box size xiaoyi li
[gmx-users] Pressure Coupling Problmes Albert Sun
[gmx-users] parrinello-rahman to wrong pressure Erik Lindahl
[gmx-users] failure CORINA BARBU
[gmx-users] failure David
[gmx-users] Re: scaling issues in GROMACS Dean Johnson
[gmx-users] Re: scaling issues in GROMACS David
[gmx-users] box size Dallas Warren
[gmx-users] box size Ilya Chorny
[gmx-users] Sorry Not Box size but topology Ilya Chorny
[gmx-users] box size Erik Lindahl
[gmx-users] box size Erik Lindahl
[gmx-users] pressure coupling questions Chng Choon Peng
[gmx-users] pressure coupling questions Mu Yuguang (Dr)
[gmx-users] box vectores Nuno R. L. Ferreira
[gmx-users] Simulated annealing (SA) - protein or solvated protein? Nuno R. L. Ferreira
[gmx-users] LSF/NQE COMMAND FOR GROMACS Raj Badhan
[gmx-users] rmsd b/w average structure and the trajectory Q.Z.
[gmx-users] cpu utilization Dean Johnson
[gmx-users] cpu utilization David
[gmx-users] cpu utilization Erik Lindahl
[gmx-users] cpu utilization Dean Johnson
[gmx-users] cpu utilization David
[gmx-users] a question about removing the rotation Wei Zhang
[gmx-users] a question about removing the rotation David
[gmx-users] Why Coul-LR is zero? PeiQuan Chen
[gmx-users] Why Coul-LR is zero? PeiQuan Chen
[gmx-users] Problem with position restraints£¡£¡£¡£¡£¡£¡ nanyu101
[gmx-users] Problem with position restraints£¡£¡£¡£¡£¡£¡ David
[gmx-users] Why Coul-LR is zero? David
[gmx-users] how to pick out the positions of one molecule during the MD simulation xiaoyi li
[gmx-users] how to pick out the positions of one molecule during the MD simulation David
[gmx-users] force field coding CORINA BARBU
[gmx-users] force field coding Erik Lindahl
[gmx-users] grompp problem Anton Feenstra
[gmx-users] constraint error Anton Feenstra
[gmx-users] RE: Gromacs benchmark --poor performance on XEON machine Shejith P.P
[gmx-users] RE: Gromacs benchmark --poor performance on XEON machine David van der Spoel
[gmx-users] force field coding CORINA BARBU
[gmx-users] Installation of Gromacs on powerpc-ibm-aix5.1.0.0 guanghong wei
[gmx-users] Installation of Gromacs on powerpc-ibm-aix5.1.0.0 Dean Johnson
[gmx-users] (no subject) CORINA BARBU
[gmx-users] Installation of Gromacs on powerpc-ibm-aix5.1.0.0 Erik Lindahl
[gmx-users] RE: Gromacs benchmark --poor performance on XEONmachine Shejith P.P
[gmx-users] RE: Gromacs benchmark --poor performance on XEONmachine Erik Lindahl
[gmx-users] box vectores Anton Feenstra
[gmx-users] rmsd b/w average structure and the trajectory Anton Feenstra
[gmx-users] BENCHMARK RESULTS Andrea Carotti
[gmx-users] comm-mode = Angular does not work! Lingling Shen
[gmx-users] Installation of Gromacs on powerpc-ibm-aix5.1.0.0 guanghong wei
[gmx-users] box vectores Nuno R. L. Ferreira
[gmx-users] Nose-Hoover coupling constant qiao rui
[gmx-users] Changing default nice level Alexandre Suman de Araujo
[gmx-users] BENCHMARK RESULTS Erik Lindahl
[gmx-users] Installation of Gromacs on powerpc-ibm-aix5.1.0.0 Erik Lindahl
[gmx-users] parallel run crashes without error message Carlos Emidio
[gmx-users] Re:Changing default nice level Nuno R. L. Ferreira
[gmx-users] memory problem on Compaq Alpha Mu Yuguang (Dr)
[gmx-users] Changing default nice level Kay Gottschalk
[gmx-users] SIMPLE QUESTION Raj Badhan
[gmx-users] Hydrogen bond autocorrelation function (HBAC) Ester Chiessi
[gmx-users] translation problem in rmsd of dynamic run Madhuri Agashe
[gmx-users] Hydrogen bond autocorrelation function (HBAC) David van der Spoel
[gmx-users] translation problem in rmsd of dynamic run David van der Spoel
[gmx-users] SIMPLE QUESTION David van der Spoel
[gmx-users] translation problem in rmsd of dynamic run Madhuri Agashe
[gmx-users] Themostat problem qiao rui
[gmx-users] free energy perturbation Yuhua Song
[gmx-users] problem with installation on mac os x Maria Nemirovskaya
[gmx-users] problem with installation on mac os x David
[gmx-users] g_sorient Ilya Chorny
[gmx-users] problem getting correct ramachandran plots Madhuri Agashe
[gmx-users] ngmx errors..due to file size Sachin Gursahani
[gmx-users] problem getting correct ramachandran plots David
[gmx-users] ngmx errors..due to file size David
[gmx-users] RE: SIMPLE QUESTION Spiwok Vojtech
[gmx-users] Temperature coupling groups Andreas Kukol
[gmx-users] Temperature coupling groups Pedro Alexandre Lapido Loureiro
[gmx-users] Themostat problem Eric Jakobsson
[gmx-users] counterions & ionic strength Aswin Narain
[gmx-users] Pressure Coupling Problmes Albert Sun
[gmx-users] [gmx-users]How to apply external forces to individual atom(s) ysun at mie.utoronto.ca
[gmx-users] Build molecule from amino acid sequence Mengjuei Hsieh
[gmx-users] g_sorient Ilya Chorny
[gmx-users] g_sas Ilya Chorny
[gmx-users] Build molecule from amino acid sequence Erik Lindahl
[gmx-users] Build molecule from amino acid sequence Mengjuei Hsieh
[gmx-users] ngmx errors..due to file size Nuno R. L. Ferreira
[gmx-users] xtc vs trr format Nuno R. L. Ferreira
[gmx-users] [gmx-users]How to apply external forces to individual atom(s) David
[gmx-users] Need help on a SEGV mdrun mpi failure Mostyn Lewis
[gmx-users] Need help on a SEGV mdrun mpi failure David
[gmx-users] charges CORINA BARBU
[gmx-users] Questions on surface tension anaysis. Hwan-kyu Lee
[gmx-users] Simple question about PME Alexandre Suman de Araujo
[gmx-users] g_sas Ilya Chorny
[gmx-users] Simple question about PME David
[gmx-users] charges David
[gmx-users] g_sas David
[gmx-users] g_sorient David
[gmx-users] g_sas Ilya Chorny
[gmx-users] Questions on surface tension anaysis. Marcos Villarreal
[gmx-users] g_sas David
[gmx-users] g_sas Ilya Chorny
[gmx-users] charges Eric Jakobsson
[gmx-users] Questions on surface tension anaysis. ysun at mie.utoronto.ca
[gmx-users] charges Daan van Aalten
[gmx-users] new MD package CORINA BARBU
[gmx-users] Need help on a SEGV mdrun mpi failure Mostyn Lewis
[gmx-users] new MD package Ran Friedman
[gmx-users] compiling on G5 Kay Gottschalk
[gmx-users] compiling on G5 Dean Johnson
[gmx-users] compiling on G5 Dean Johnson
[gmx-users] compiling on G5 Dean Johnson
[gmx-users] Questions on surface tension anaysis. Eric Jakobsson
[gmx-users] Parallel FFTW performance Bing Kim
[gmx-users] Parallel FFTW performance Dean Johnson
[gmx-users] Parallel FFTW performance Erik Lindahl
[gmx-users] Parallel FFTW performance Erik Lindahl
[gmx-users] Parallel FFTW performance Bing Kim
[gmx-users] Parallel FFTW performance Bing Kim
[gmx-users] Parallel FFTW performance Erik Lindahl
[gmx-users] Pressure calculated from g_energy showing negative value Sunita Patel
[gmx-users] free energy perturbation Anton Feenstra
[gmx-users] Themostat problem Anton Feenstra
[gmx-users] LJ potential for Heme iron ??? nk yx
[gmx-users] Water molecule cannot be settled Andrew Beevers
[gmx-users] constraint error xiaoyi li
[gmx-users] merging and renumbering topology atoms christoph.nimptsch at uni-tuebingen.de
[gmx-users] Water molecule cannot be settled Marcos Villarreal
[gmx-users] charges John Kerrigan
[gmx-users] merging and renumbering topology atoms Stud_Psychopharm
[gmx-users] free energy perturbation Yuhua Song
[gmx-users] Themostat problem qiao rui
[gmx-users] Parallel run error Raj Badhan
[gmx-users] Pressure calculated from g_energy showing negative value Eric Jakobsson
[gmx-users] Simple L-J Particles' simulation Albert Sun
[gmx-users] lam-mpi problem Kay Gottschalk
[gmx-users] problem getting correct ramachandran plots Madhuri Agashe
[gmx-users] duplicate the lipid bilayer Yuhua Song
[gmx-users] duplicate the lipid bilayer Rainer Boeckmann
[gmx-users] Parallel run error Raj Badhan
[gmx-users] G5 optimizations Erik Lindahl
[gmx-users] duplicate the lipid bilayer Yuhua Song
[gmx-users] g_sorient HELP!!! Ilya Chorny
[gmx-users] DiPhPc bilayers in Gromacs Jiancong Xu
[gmx-users] Pressure calculated from g_energy showing negative value Anton Feenstra
[gmx-users] free energy perturbation Anton Feenstra
[gmx-users] merging and renumbering topology atoms Anton Feenstra
[gmx-users] LJ potential for Heme iron ??? Anton Feenstra
[gmx-users] charges Anton Feenstra
[gmx-users] xtc vs trr format Anton Feenstra
[gmx-users] constraint error Anton Feenstra
[gmx-users] complie on ia64-redhat-linux-gnu Mu Yuguang (Dr)
[gmx-users] g_sorient HELP!!! Berk Hess
[gmx-users] charges John Kerrigan
[gmx-users] re: LJ potential for Heme iron ??? nk yx
[gmx-users] charges hugo verli
[gmx-users] heat appears Nguyen Hoang Phuong
[gmx-users] Dundee PRODRG2 hernan ahumada
[gmx-users] Re: xtc vs trr format Nuno R. L. Ferreira
[gmx-users] Dundee PRODRG2 Ruben Martinez Buey
[gmx-users] Differenec between forcefiedL ffgmx.itp, ffgmxnb.itp? For DPPC simulation Yuhua Song
[gmx-users] complie on ia64-redhat-linux-gnu Chng Choon Peng
[gmx-users] complie on ia64-redhat-linux-gnu Erik Lindahl
[gmx-users] (no subject) Maria Nemirovskaya
[gmx-users] problem with Lipid.itp and dppc.itp Yuhua Song
[gmx-users] problem with Lipid.itp and dppc.itp Derrick Guang Yuh Lee
[gmx-users] problem with Lipid.itp and dppc.itp Derrick Guang Yuh Lee
[gmx-users] g_sorient HELP!!! Ilya Chorny
[gmx-users] DPPC,Water,Protein-? Stud_Psychopharm
[gmx-users] charges Anton Feenstra
[gmx-users] duplicate the lipid bilayer Anton Feenstra
[gmx-users] re: LJ potential for Heme iron ??? Anton Feenstra
[gmx-users] Parallel run error Anton Feenstra
[gmx-users] RE: heat appears (Nguyen Hoang Phuong) Spiwok Vojtech
[gmx-users] g_sorient HELP!!! Berk Hess
[gmx-users] RE: heat appears (Nguyen Hoang Phuong) Nguyen Hoang Phuong
[gmx-users] Re:re: LJ potential for Heme iron ??? nk yx
[gmx-users] Re: RE: heat appears Spiwok Vojtech
[gmx-users] SD velocity correction Berk Hess
[gmx-users] total energy Lakshmi Padmavathi
[gmx-users] g_sorient HELP!!! Ilya Chorny
[gmx-users] g_sorient HELP!!! Ilya Chorny
[gmx-users] total energy David van der Spoel
[gmx-users] Debugger Ilya Chorny
[gmx-users] Debugger Erik Lindahl
[gmx-users] g_sorient HELP!!! Berk Hess
[gmx-users] total energy Anton Feenstra
[gmx-users] Re: RE: heat appears Anton Feenstra
[gmx-users] Re:re: LJ potential for Heme iron ??? Anton Feenstra
[gmx-users] Dundee PRODRG2 Anton Feenstra
[gmx-users] Re: RE: heat appears Nguyen Hoang Phuong
[gmx-users] what does the error mean xiaoyi li
[gmx-users] mdrun : fatal error with 8 CPUs sophie.vilarem at laposte.net
[gmx-users] Debugger David van der Spoel
[gmx-users] what does the error mean Martina Bertsch, PhD
[gmx-users] LJ potential for Heme iron ??? Martina Bertsch, PhD
[gmx-users] DPPC,Water,Protein? Martina Bertsch, PhD
[gmx-users] Simple L-J Particles' simulation Albert Sun
[gmx-users] CLUSTERING:Number of clusters as function of time. Mr.Sridhar
[gmx-users] Simple L-J Particles' simulation David van der Spoel
[gmx-users] CLUSTERING:Number of clusters as function of time. David van der Spoel
[gmx-users] Atom type Raghunadha Reddy Burri
[gmx-users] Atom type David van der Spoel
[gmx-users] CVS version Alan Wilter Sousa da Silva
[gmx-users] re: LJ potential for Heme iron ??? nk yx
[gmx-users] problem with MPI version under OSX Dean Johnson
[gmx-users] Simple L-J Particles' simulation Nuno R. L. Ferreira
[gmx-users] Re:total energy Nuno R. L. Ferreira
[gmx-users] Simple L-J Particles' simulation Nuno R. L. Ferreira
[gmx-users] Simple L-J Particles' simulation Albert Sun
[gmx-users] problem with MPI version under OSX Erik Lindahl
[gmx-users] Re:total energy Nuno R. L. Ferreira
[gmx-users] problem with MPI version under OSX Dean Johnson
[gmx-users] attachs ; question tree messages:how? Nuno R. L. Ferreira

Last message date: Fri Oct 31 20:08:01 CET 2003
Archived on: Thu Nov 14 12:00:25 CET 2013

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