December 2002 Archives by date

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Starting: Sun Dec 1 01:53:09 CET 2002
Ending: Tue Dec 31 14:58:47 CET 2002
Messages: 328

[gmx-users] bug in dump_grid (g_hbond.c) Valentin Gogonea
[gmx-users] Re: Am I wrong ? Nicolas Michel
[gmx-users] Re: Am I wrong ? David
[gmx-users] grompp error and make_hole nanyu101
[gmx-users] grompp error again nanyu101
[gmx-users] question about DNA simulation 5'&3' ends K.A. Feenstra
[gmx-users] use of g_hbond K.A. Feenstra
[gmx-users] mdp again K.A. Feenstra
[gmx-users] mdrun -ci(I checked archive) nanyu101
[gmx-users] Position restraint problem K.A. Feenstra
[gmx-users] Re: DNA and GROMACS/GROMOS87 K.A. Feenstra
[gmx-users] resolution influence on simulations K.A. Feenstra
[gmx-users] grompp error and make_hole K.A. Feenstra
[gmx-users] grompp error again Anton Feenstra
[gmx-users] Calculating Molecular Volumes Donald E. Elmore
[gmx-users] mdrun -ci(I checked archive) Xavier Periole
[gmx-users] Calculating Molecular Volumes Alan Wilter Sousa da Silva
[gmx-users] (no subject) David van der Spoel
[gmx-users] J-coupling Dmitry Kovalsky
[gmx-users] J-coupling David
[gmx-users] (no subject) Ruben Martinez Buey
[gmx-users] nice level David
[gmx-users] lipid.itp problems. Senthil Kandasamy
[gmx-users] nice level A. und B. Nick
[gmx-users] (no subject) Ruben Martinez Buey
[gmx-users] about hp.mdp nanyu101
[gmx-users] (no subject) K.A. Feenstra
[gmx-users] mdrun -ci(I checked archive) K.A. Feenstra
[gmx-users] mdrun -ci(I checked archive) Xavier Periole
[gmx-users] C sp3 configurations in ffgmx Ester Chiessi
[gmx-users] C sp3 configurations in ffgmx K.A. Feenstra
[gmx-users] Re: Gromacs simulation of infinite systems David
[gmx-users] Re: hp.mdp Graham Smith
[gmx-users] Re: Gromacs simulation of infinite systems K.A. Feenstra
[gmx-users] about hp.mdp again!!! nanyu101
[gmx-users] Re: Gromacs simulation of infinite systems Ester Chiessi
[gmx-users] frequence of flexible water Nguyen Hoang Phuong
[gmx-users] frequence of flexible water Anton Feenstra
[gmx-users] help Weihua Li
[gmx-users] Problems running gmx314 on SunOS/sparc: core dump Marc Baaden
[gmx-users] tpx versions emombel at nimr.mrc.ac.uk
[gmx-users] tpx versions Anton Feenstra
[gmx-users] Amber run parameters conversion Anton Feenstra
[gmx-users] dppc benchmark forcefield Pedro Alexandre Lapido Loureiro
[gmx-users] Amber run parameters conversion 1.1 Anton Feenstra
[gmx-users] mdrun_hole Pedro Alexandre Lapido Loureiro
[gmx-users] D2O Nguyen Hoang Phuong
[gmx-users] dppc benchmark forcefield David van der Spoel
[gmx-users] Meaning of rlist and rvdw cutoff. Ram'on Garc'ia Fern'andez
[gmx-users] Meaning of rlist and rvdw cutoff. Pedro Alexandre Lapido Loureiro
[gmx-users] Bad energy conservation. David
[gmx-users] Bad energy conservation. David
[gmx-users] Bad energy conservation. Ram'on Garc'ia Fern'andez
[gmx-users] Bad energy conservation. Ram'on Garc'ia Fern'andez
[gmx-users] Bad energy conservation. Ram'on Garc'ia Fern'andez
[gmx-users] octane box help/problems Chris Shaw
[gmx-users] octane box help/problems Dallas Warren
[gmx-users] mdrun_d and grompp_d Tanos
[gmx-users] mdrun_d and grompp_d Choon Peng
[gmx-users] Re: Energy is not conserved Vishal Vaidyanathan
[gmx-users] bilayer & genbox/editconf K.A. Feenstra
[gmx-users] Polymer in periodic boundary conditions again K.A. Feenstra
[gmx-users] lam and dual pentium box K.A. Feenstra
[gmx-users] Re: Problem with pdb2gmx K.A. Feenstra
[gmx-users] Re: Energy is not conserved K.A. Feenstra
[gmx-users] Bad energy conservation. Ram'on Garc'ia Fern'andez
[gmx-users] Bad energy conservation. Xavier Periole
[gmx-users] re octane box help/probelms Chris Shaw
[gmx-users] Bad energy conservation. Ram'on Garc'ia Fern'andez
[gmx-users] position restraints Dmitry Kovalsky
[gmx-users] Bad energy conservation. Anton Feenstra
[gmx-users] Bad energy conservation. Ram'on Garc'ia Fern'andez
[gmx-users] grompp , lipid parameters, error Xavier Periole
[gmx-users] using salt in MD Dmitry Kovalsky
[gmx-users] grompp , lipid parameters, error Xavier Periole
[gmx-users] Error in protonating ASP in pdb2gmx. Marcin Wojciechowski
[gmx-users] re octane box help/probelms David van der Spoel
[gmx-users] Error in protonating ASP in pdb2gmx. Gerrit Groenhof
[gmx-users] Error in protonating ASP in pdb2gmx. K.A. Feenstra
[gmx-users] Bad energy conservation. K.A. Feenstra
[gmx-users] bug with bond type 6 and workaround Marc Baaden
[gmx-users] Bad energy conservation. Ram'on Garc'ia Fern'andez
[gmx-users] Bad energy conservation. Ram'on Garc'ia Fern'andez
[gmx-users] using salt in MD David van der Spoel
[gmx-users] Bad energy conservation. Anton Feenstra
[gmx-users] Error in protonating ASP in pdb2gmx. Marcin Wojciechowski
[gmx-users] Bad energy conservation. David van der Spoel
[gmx-users] constrain h-bonds Nguyen Hoang Phuong
[gmx-users] Bad energy conservation. David van der Spoel
[gmx-users] Bad energy conservation. Ram'on Garc'ia Fern'andez
[gmx-users] Bad energy conservation. Ram'on Garc'ia Fern'andez
[gmx-users] grompp , lipid parameters, error David
[gmx-users] constrain h-bonds David
[gmx-users] grompp , lipid parameters, error David
[gmx-users] grompp , lipid parameters, error Senthil Kandasamy
[gmx-users] grompp , lipid parameters, error Senthil Kandasamy
[gmx-users] grompp , lipid parameters, error Pedro Alexandre Lapido Loureiro
[gmx-users] Re: mdrun_hole Graham Smith
[gmx-users] Re: about hp.mdp again!!! Graham Smith
[gmx-users] Re: using salt in MD Graham Smith
[gmx-users] grompp , lipid parameters, error Senthil Kandasamy
[gmx-users] re octane box help/probelms Dallas Warren
[gmx-users] FW: about atom perturbation in TI Alexey Romanov
[gmx-users] constrain h-bonds K.A. Feenstra
[gmx-users] Error in protonating ASP in pdb2gmx. K.A. Feenstra
[gmx-users] FW: about atom perturbation in TI David van der Spoel
[gmx-users] FeS4 cluster Ernesto E. Di Iorio
[gmx-users] pdb2gmx with new residues Ester Chiessi
[gmx-users] FW: about atom perturbation in TI Alexey Romanov
[gmx-users] FeS4 cluster David van der Spoel
[gmx-users] center of mass motion? MOLTENI at unisi.it
[gmx-users] FW: about atom perturbation in TI Alexey Romanov
[gmx-users] pdb2gmx with new residues David van der Spoel
[gmx-users] FW: about atom perturbation in TI David van der Spoel
[gmx-users] Re: mdrun_hole Pedro Alexandre Lapido Loureiro
[gmx-users] FeS4 cluster Ernesto E. Di Iorio
[gmx-users] FW: about atom perturbation in TI David van der Spoel
[gmx-users] center of mass motion? David van der Spoel
[gmx-users] FeS4 cluster David van der Spoel
[gmx-users] FeS4 cluster Weihua Li
[gmx-users] FeS4 cluster David
[gmx-users] FeS4 cluster David
[gmx-users] FeS4 cluster Weihua Li
[gmx-users] Units David
[gmx-users] Units alexander yakovenko
[gmx-users] grompp Luciane Vieira de Mello
[gmx-users] grompp David van der Spoel
[gmx-users] Files for tip5p water Daniel Harries
[gmx-users] electrons.dat Senthil Kandasamy
[gmx-users] Re: Problems with CYS in FeS4 clusters David van der Spoel
[gmx-users] constrain h-bonds Nguyen Hoang Phuong
[gmx-users] Re: Problems with CYS in FeS4 clusters David van der Spoel
[gmx-users] pull direction Weihua Li
[gmx-users] Instalation of GROMACS Tanos C. C. França
[gmx-users] Instalation of GROMACS Erik Lindahl
[gmx-users] average coordinates quantix1 at gmx.de
[gmx-users] average coordinates Bert de Groot
[gmx-users] jumps through the box Dmitry Kovalsky
[gmx-users] jumps through the box Rainer Boeckmann
[gmx-users] Pressure Coupling nanyu101
[gmx-users] about pdb2gmx and topology database nanyu101
[gmx-users] about pdb2gmx and topology database David van der Spoel
[gmx-users] jumps through the box K.A. Feenstra
[gmx-users] average coordinates K.A. Feenstra
[gmx-users] pull direction K.A. Feenstra
[gmx-users] grompp K.A. Feenstra
[gmx-users] FW: about atom perturbation in TI K.A. Feenstra
[gmx-users] Covariance analysis for CONCOORD results Bert de Groot
[gmx-users] constrain h-bonds Nguyen Hoang Phuong
[gmx-users] Covariance analysis for CONCOORD results Anton Feenstra
[gmx-users] constrain h-bonds Anton Feenstra
[gmx-users] constrain h-bonds Nguyen Hoang Phuong
[gmx-users] constrain h-bonds Anton Feenstra
[gmx-users] Instalation of GROMACS Tanos C. C. França
[gmx-users] constrain h-bonds Nguyen Hoang Phuong
[gmx-users] Instalation of GROMACS Anton Feenstra
[gmx-users] constrain h-bonds Anton Feenstra
[gmx-users] Simulations becoming slower with time David
[gmx-users] Simulations becoming slower with time Erik Lindahl
[gmx-users] Covariance analysis for CONCOORD results Ruben Martinez Buey
[gmx-users] grompp error about no default angle nanyu101
[gmx-users] constrain h-bonds Nguyen Hoang Phuong
[gmx-users] grompp error about no default angle K.A. Feenstra
[gmx-users] peptides in D2O Nguyen Hoang Phuong
[gmx-users] Simulations becoming slower with time Marcin Wojciechowski
[gmx-users] new type atom nanyu101
[gmx-users] new type atom Dallas Warren
[gmx-users] new type atom again!!!!Help me!!! nanyu101
[gmx-users] new type atom K.A. Feenstra
[gmx-users] itp and rtp file about polymer!!!!!!!!!! nanyu101
[gmx-users] Hi,David and everyone insterests in itp nanyu101
[gmx-users] pr_md Luciane Vieira de Mello
[gmx-users] pr_md David van der Spoel
[gmx-users] itp and rtp file about polymer!!!!!!!!!! David van der Spoel
[gmx-users] pr_md ehab at biof.ufrj.br
[gmx-users] pr_md David van der Spoel
[gmx-users] pr_md K.A. Feenstra
[gmx-users] Hi,David and everyone insterests in itp K.A. Feenstra
[gmx-users] pr_md Luciane Vieira de Mello
[gmx-users] pr_md Marc Baaden
[gmx-users] pr_md Luciane Vieira de Mello
[gmx-users] simulation of a small peptide in water with calcium ion Soumendra Rana
[gmx-users] need help with mdrun Erik Lindahl
[gmx-users] David,about itp again!!!! nanyu101
[gmx-users] about new atom type,David! nanyu101
[gmx-users] about new atom type,David! David van der Spoel
[gmx-users] stacked bilayers and pbc errors Senthil Kandasamy
[gmx-users] David,I'm not clear of your words in itp nanyu101
[gmx-users] re: stacked bilayers and pbc errors Senthil Kandasamy
[gmx-users] new type atom David
[gmx-users] simulation of a small peptide in water with calcium ion David
[gmx-users] Density Profiles? Dallas Warren
[gmx-users] David,winrar file has sent to you nanyu101
[gmx-users] How much data to choose eg for an rmsd matrix Marc Baaden
[gmx-users] error compiling gromacs with mpi Marcin Wojciechowski
[gmx-users] error compiling gromacs with mpi Marcin Wojciechowski
[gmx-users] ATP parametrization Bjoern Windshuegel
[gmx-users] How much data to choose eg for an rmsd matrix Marc Baaden
[gmx-users] How much data to choose eg for an rmsd matrix David van der Spoel
[gmx-users] ATP parametrization David van der Spoel
[gmx-users] Mac OS X cluster system Taeho Kim
[gmx-users] error compiling gromacs with mpi K.A. Feenstra
[gmx-users] How much data to choose eg for an rmsd matrix K.A. Feenstra
[gmx-users] Density Profiles? K.A. Feenstra
[gmx-users] Mac OS X cluster system David
[gmx-users] Bug in g_rms -> calculate RhoSc ?? Marc Baaden
[gmx-users] error compiling gromacs with mpi Ruben Martinez Buey
[gmx-users] error compiling gromacs with mpi Ruben Martinez Buey
[gmx-users] mdrun in vacuum circumstance David
[gmx-users] mdrun in vacuum circumstance nanyu101
[gmx-users] Bug in g_rms -> calculate RhoSc ?? K.A. Feenstra
[gmx-users] Bug in g_rms -> calculate RhoSc ?? K.A. Feenstra
[gmx-users] How much data to choose eg for an rmsd matrix David van der Spoel
[gmx-users] Bug in g_rms -> calculate RhoSc ?? David van der Spoel
[gmx-users] Bug in g_rms -> calculate RhoSc ?? Marc Baaden
[gmx-users] Bug in g_rms -> calculate RhoSc ?? Marcin Wojciechowski
[gmx-users] Bug in g_rms -> calculate RhoSc ?? Anton Feenstra
[gmx-users] Bug in g_rms -> calculate RhoSc ?? Anton Feenstra
[gmx-users] trjconv problem Dmitry Kovalsky
[gmx-users] Instalation of GROMACS Tanos C. C. França
[gmx-users] trjconv problem David van der Spoel
[gmx-users] Instalation of GROMACS David
[gmx-users] PRODRG - .itp file Luciane Vieira de Mello
[gmx-users] Instalation of GROMACS Oliver Beckstein
[gmx-users] phosphoserine Luciane Vieira de Mello
[gmx-users] Re: phosphoserine answer (and phosphate related question) Graham Smith
[gmx-users] make_ndx question David
[gmx-users] make_ndx question Senthil Kandasamy
[gmx-users] [Fwd: Returned mail: User unknown] Senthil Kandasamy
[gmx-users] [Fwd: Returned mail: User unknown] Xavier Periole
[gmx-users] editconf truncates the residue number to four digits in pdb files Senthil Kandasamy
[gmx-users] Generalized-Reaction-Field; epsilon_r Dr. Y. U. Sasidhar
[gmx-users] PRODRG - .itp file Daan Virtual
[gmx-users] make_ndx/genbox David
[gmx-users] Generalized-Reaction-Field; epsilon_r David
[gmx-users] editconf truncates the residue number to four digits in pdb files David
[gmx-users] PRODRG - .itp file Anton Feenstra
[gmx-users] trjconv problem Anton Feenstra
[gmx-users] Constraints Tanos C. C. França
[gmx-users] Constraints Anton Feenstra
[gmx-users] dummy atoms & timesteps J Simms
[gmx-users] dummy atoms & timesteps Anton Feenstra
[gmx-users] Improving Scaling w/ mpi Anton Feenstra
[gmx-users] Improving Scaling w/ mpi & gcc v3.2 Anton Feenstra
[gmx-users] Mac OS X system Taeho Kim
[gmx-users] Improving Scaling w/ mpi & gcc v3.2 David van der Spoel
[gmx-users] genbox + editconf Senthil Kandasamy
[gmx-users] genbox +editconf Senthil Kandasamy
[gmx-users] Warning Tanos C. C. França
[gmx-users] Warning Dallas Warren
[gmx-users] Improving Scaling w/ mpi & gcc v3.2 Anton Feenstra
[gmx-users] genbox + editconf Anton Feenstra
[gmx-users] how to determine mutilplicity!! nanyu101
[gmx-users] how to calculate with quantum method nanyu101
[gmx-users] Re: Re.PME David van der Spoel
[gmx-users] how to determine mutilplicity!! David van der Spoel
[gmx-users] Mac OS X system David van der Spoel
[gmx-users] how to calculate with quantum method David van der Spoel
[gmx-users] Biomolecule shuffling in parallel runs crash MD Marcin Wojciechowski
[gmx-users] g_dyndom David
[gmx-users] PRODRG - .itp file Anton Feenstra
[gmx-users] g_dyndom David van der Spoel
[gmx-users] Biomolecule shuffling in parallel runs crash MD David van der Spoel
[gmx-users] g_dyndom Ruben Martinez Buey
[gmx-users] g_dyndom Ruben Martinez Buey
[gmx-users] Gromos96 43A1 dihedrals nanyu101
[gmx-users] how to determine multiplicity and phase! nanyu101
[gmx-users] Gromos96 43A1 dihedrals David van der Spoel
[gmx-users] auguri Fornili Sandro
[gmx-users] specifying rank using mpich w/ Dual G4 Mac Cluster David
[gmx-users] specifying rank using mpich w/ Dual G4 Mac Cluster DaJustice1 at aol.com
[gmx-users] mac osX compilation problems kiran boggavarapu
[gmx-users] em David
[gmx-users] where can i find makefile? David
[gmx-users] where can i find makefile? zhang
[gmx-users] mac osX compilation problems David
[gmx-users] em sadhna
[gmx-users] hexane simulation David
[gmx-users] 答复: [gmx-users] hexane simulation David
[gmx-users] Re: trjconv modification David
[gmx-users] hexane simulation zhangray
[gmx-users] Re: trjconv modification Graham Smith
[gmx-users] 答复: [gmx-users] hexane simulation zhangray
[gmx-users] no default dihedrals types nanyu101
[gmx-users] no default dihedrals types David
[gmx-users] forceconstant of SMD Xu Yong
[gmx-users] lam/mpi errors w/ Dual G4 Mac David
[gmx-users] lam/mpi errors w/ Dual G4 Mac DaJustice1 at aol.com
[gmx-users] lam/mpi errors w/ Dual G4 Mac David
[gmx-users] lam/mpi errors w/ Dual G4 Mac DaJustice1 at aol.com
[gmx-users] Energy Minimize problem about converge nanyu101
[gmx-users] my e-mail ID in the list vijay at ibab.ac.in
[gmx-users] mdrun-hole Questions.... Senthil Kandasamy
[gmx-users] gmxdump question David
[gmx-users] gmxdump question Dmitry Kovalsky
[gmx-users] Energy Minimize problem about converge!! nanyu101
[gmx-users] Energy Minimize problem about converge!! David
[gmx-users] Problem about OPLS Fourier dihedraltypes vs Ryckaert-Bellemans pqchen at eyou.com
[gmx-users] Problem about OPLS Fourier dihedraltypes vs Ryckaert-Bellemans Erik Lindahl
[gmx-users] about your paper of HB nanyu101
[gmx-users] Energy Minimize problem about converge!! Erik Wensink
[gmx-users] g_enemat problems Ghermes Chilov
[gmx-users] (no subject) David
[gmx-users] (no subject) pqchen at eyou.com
[gmx-users] compilation ok on Mac, execution not ok David
[gmx-users] compilation ok on Mac, execution not ok kiran boggavarapu
[gmx-users] compilation ok on Mac, execution not ok Christopher Yip
[gmx-users] compilation ok on Mac, execution not ok Christopher Yip
[gmx-users] g_enemat problems 2 David
[gmx-users] Request on help in ED method David
[gmx-users] g_enemat problems 2 Ghermes Chilov
[gmx-users] Request on help in ED method Dmitry Egorov
[gmx-users] g_enemat problems 2 Ghermes
[gmx-users] OPLS Fourier dihedraltypes vs Ryckaert-Bellemans pqchen at eyou.com
[gmx-users] change units David
[gmx-users] change units nanyu101
[gmx-users] Re:gmx-users digest, Vol 1 #552 - 2 msgs pqchen at eyou.com
[gmx-users] matrix overlap Dmitry Kovalsky
[gmx-users] (no subject) Itamar Kass
[gmx-users] (no subject) pqchen at eyou.com
[gmx-users] (no subject) pqchen at eyou.com
[gmx-users] Re:gmx-users digest, Vol 1 #552 - 2 msgs David van der Spoel
[gmx-users] matrix overlap David van der Spoel
[gmx-users] (no subject) David van der Spoel
[gmx-users] some puzzles about energy minimizition nanyu101
[gmx-users] some puzzles about energy minimizition David van der Spoel
[gmx-users] (no subject) Itamar Kass
[gmx-users] (no subject) Christopher Yip

Last message date: Tue Dec 31 14:58:47 CET 2002
Archived on: Thu Nov 14 11:59:52 CET 2013

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