November 2004 Archives by date

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Starting: Mon Nov 1 00:06:00 CET 2004
Ending: Tue Nov 30 19:40:02 CET 2004
Messages: 489

[gmx-users] atom charge in new residue Maximiliano Figueroa
[gmx-users] Jean-Marc Denis/FR/BULL is out of the office Jean-Marc.Denis at bull.net
[gmx-users] Jean-Marc Denis/FR/BULL is out of the office Jean-Marc.Denis at bull.net
[gmx-users] atom charge in new residue Andrey V. Golovin
[gmx-users] using position restraints Ken Rotondi
[gmx-users] atom charge in new residue Erik Lindahl
[gmx-users] Gromacs simulation of solid polymer Albert Sun
[gmx-users] g_hbond Valentin Gogonea
[gmx-users] I/O problem Chen Hao
[gmx-users] ref_tau error message Marian Zlomislic
[gmx-users] multiple pull groups Douglas Ridgway
[gmx-users] multiple pull groups David L. Bostick
[gmx-users] assembly inner loops - making sure David L. Bostick
[gmx-users] Crashing abnormally Amadeu
[gmx-users] dihedrals: from OPLS to Ryckaert-Belleman Markus O Kaukonen
[gmx-users] Fw: Fatal error: Bonded/nonbonded atom type '1' not found Michal Kolinski
[gmx-users] Re: gmx-users Digest, Vol 7, Issue 4 Michel Cuendet
[gmx-users] Crashing abnormally Anton Feenstra
[gmx-users] assembly inner loops - making sure Anton Feenstra
[gmx-users] ref_tau error message Anton Feenstra
[gmx-users] OPLS-AA and TIP4P errors Ken Rotondi
[gmx-users] gromos analysis Wei Fu
[gmx-users] OPLS-AA and TIP4P errors Dallas Warren
[gmx-users] multiple pull groups Douglas Ridgway
[gmx-users] Fatal error:Max#atoms in a charge group:70>32 Shozeb Haider
[gmx-users] Infinit band Mu Yuguang (Dr)
[gmx-users] mdrun using mpirun jianzou
[gmx-users] mdrun using mpirun Dallas Warren
[gmx-users] mdrun using mpirun jianzou
[gmx-users] What does column 'cgnr'(in topology file) mean? Zhenting Gao
[gmx-users] mdrun using mpirun Dallas Warren
[gmx-users] What does column 'cgnr'(in topology file) mean? Dallas Warren
[gmx-users] mdrun using mpirun Heikki Käsnänen
[gmx-users] mdrun using mpirun jianzou
[gmx-users] mdrun using mpirun Kay Gottschalk
[gmx-users] Movie from PDB files Gaurav Porwal
[gmx-users] Movie from PDB files Kay Gottschalk
[gmx-users] gromos analysis Nuno R. L. Ferreira
[gmx-users] Movie from PDB files Haberl Florian
[gmx-users] Movie from PDB files Haberl Florian
[gmx-users] OPLS-AA and TIP4P errors Alan Wilter Sousa da Silva
[gmx-users] Re:Gromos analysis Wei Fu
[gmx-users] Re:Gromos analysis Nuno R. L. Ferreira
[gmx-users] on the COM force output by g_traj xzp02 at mails.tsinghua.edu.cn
[gmx-users] Re: Movie from PDB files Kia Balali-Mood
[gmx-users] Box size Qi Sun
[gmx-users] Box size Qi Sun
[gmx-users] membrane protein strony_w_w_w at op.pl
[gmx-users] lipid problem Kolin
[gmx-users] lipid problem Haberl Florian
[gmx-users] Re:Gromos analysis Linda
[gmx-users] inositol simulations Shozeb Haider
[gmx-users] Box size Dallas Warren
[gmx-users] inositol simulations david.evans at ulsop.ac.uk
[gmx-users] Periodic boundary problem Haberl Florian
[gmx-users] Periodic boundary problem Kay Gottschalk
[gmx-users] lipid problem Kolin
[gmx-users] Periodic boundary problem Haberl Florian
[gmx-users] Periodic boundary problem Berk Hess
[gmx-users] Periodic boundary problem Kay Gottschalk
[gmx-users] lipid problem Andreas Kukol
[gmx-users] lipid problem Steffen Haerterich
[gmx-users] lipid problem Michal Kolinski
[gmx-users] Periodic boundary problem Haberl Florian
[gmx-users] Constraint Error Jair
[gmx-users] Periodic boundary problem Berk Hess
[gmx-users] without text output Alan Wilter Sousa da Silva
[gmx-users] without text output Marc Vogt
[gmx-users] without text output Berk Hess
[gmx-users] without text output Alan Wilter Sousa da Silva
[gmx-users] Re: Movie from PDB files Gaurav Porwal
[gmx-users] Making easy position restrain Hector Martinez-Seara Monne
[gmx-users] from dummy atom representation back to normal Dagmar Floeck
[gmx-users] How to add a new atomtype to GMX library? Which files should be modified? Zhenting Gao
[gmx-users] How to add a new atomtype to GMX library? Which files should be modified? Zhenting Gao
[gmx-users] How to add a new atomtype to GMX library? Which files should be modified? Zhenting Gao
[gmx-users] How does the atom mass and atom vdw radius influence the MD simulation in GMX? Zhenting Gao
[gmx-users] Self made GDP topology file.......deforms severely with LINC warning during EM and stopped Zhenting Gao
[gmx-users] Self made GDP topology file.......deforms severely with LINC warning during EM and stopped Bert de Groot
[gmx-users] Self made GDP topology file Zhenting Gao
[gmx-users] Self made GDP topology file.......deforms severely with LINC warning during EM and stopped Daan van Aalten
[gmx-users] (no subject) Kolin
[gmx-users] Periodic boundary problem Dallas Warren
[gmx-users] Re: Movie from PDB files Nuno R. L. Ferreira
[gmx-users] Re: Movie from PDB files Nuno R. L. Ferreira
[gmx-users] pdb2gmx and DNA Michael Brunsteiner
[gmx-users] Constraint Error Pawan
[gmx-users] Re: Movie from PDB files Kay Gottschalk
[gmx-users] Re: Movie from PDB files Robert d'Rozario
[gmx-users] Making easy position restrain Xavier Periole
[gmx-users] from dummy atom representation back to normal Xavier Periole
[gmx-users] Constraint Error Jair
[gmx-users] gmx 3.1.4 vs 3.2.1 Marcos Villarreal
[gmx-users] gmx 3.1.4 vs 3.2.1 Berk Hess
[gmx-users] charged pdbs from a trajectory Marc Bruning
[gmx-users] gmx 3.1.4 vs 3.2.1 Marcos Villarreal
[gmx-users] reference for DMSO Nguyen Hoang Phuong
[gmx-users] Pressure flutuation Robson Honorato
[gmx-users] energy minimization flavia at lncc.br
[gmx-users] Making easy position restrain Hector Mrz-Seara Monne
[gmx-users] To locate epot[i]'s inisde the program Pradip Kumar Biswas
[gmx-users] energy minimization Itamar Kass
[gmx-users] To locate the Nonbonded energies inside the code. Pradip Kumar Biswas
[gmx-users] Re: Movie from PDB files Itamar Kass
[gmx-users] Using Gromacs to do SMD. PeiQuan Chen
[gmx-users] no inter-residue bonds for nucleotides defined in ffG43a1 ? Michael Brunsteiner
[gmx-users] OPLS paramter reference needed Pawan
[gmx-users] dppc simulation Dinesh Pinisetty
[gmx-users] big membrane Michael
[gmx-users] dppc simulation Michael Patra
[gmx-users] Atom index (5) in position_restraints out of bounds (1-4) pascal.baillod at epfl.ch
[gmx-users] Pressure flutuation Dallas Warren
[gmx-users] big membrane Dallas Warren
[gmx-users] Coulomb Energies ali.hassanali.1
[gmx-users] Periodic boundary problem Haberl Florian
[gmx-users] Self made GDP topology file Daan van Aalten
[gmx-users] Protein unfolding example Dr. Steffen Graether
[gmx-users] Making easy position restrain Hector Mrz-Seara Monne
[gmx-users] Making easy position restrain Xavier Periole
[gmx-users] Making easy position restrain Hector Mrz-Seara Monne
[gmx-users] Making easy position restrain Xavier Periole
[gmx-users] Atom index (5) in position_restraints out of bounds (1-4) Berk Hess
[gmx-users] continuation of simulation Dinesh Pinisetty
[gmx-users] charged pdbs from a trajectory Marc Bruning
[gmx-users] (no subject) SLN Prasad Reddy
[gmx-users] (no subject) Dinesh Pinisetty
[gmx-users] (no subject) Hector Mrz-Seara Monne
[gmx-users] (no subject) Xavier Periole
[gmx-users] energy minimization flavia at lncc.br
[gmx-users] covariant matrix mprabha at fiu.edu
[gmx-users] continuation of simulation parinald at unsl.edu.ar
[gmx-users] energy minimization Itamar Kass
[gmx-users] [Fwd: No Subject] Itamar Kass
[gmx-users] [Fwd: No Subject] David
[gmx-users] freezing error dsh2002 at med.cornell.edu
[gmx-users] freezing error dsh2002 at med.cornell.edu
[gmx-users] Instal Gromacs-3.2.1 in Mac OSX Bo Yang
[gmx-users] continuation of simulation Ran Friedman
[gmx-users] continuation of simulation Choon Peng
[gmx-users] Coulomb LR ali.hassanali.1
[gmx-users] How to constract new polymer ? Arturas
[gmx-users] Self made GDP topology file....deforms during EM ...and the reason Zhenting Gao
[gmx-users] How to constract new polymer ? David van der Spoel
[gmx-users] charged pdbs from a trajectory Andrea Carotti
[gmx-users] big membrane Michael
[gmx-users] (no subject) Xavier Periole
[gmx-users] Re: big membrane Kia Balali-Mood
[gmx-users] problems with Coordinates transforming Cesar Lopez
[gmx-users] Self made GDP topology file....deforms during EM ...and the reason Matthew Geballe
[gmx-users] questions! 孔韧
[gmx-users] questions! David van der Spoel
[gmx-users] questions! Stephan Frickenhaus
[gmx-users] How to make PCA effective? Jinzhi Tan
[gmx-users] Box parameters and display Michal Kolinski
[gmx-users] Coarse-grained model Andre Farias de Moura
[gmx-users] Re: Self made GDP topology file....deforms during EM ...and the reason Zhenting Gao
[gmx-users] Coarse-grained model Pedro Alexandre Lapido Loureiro
[gmx-users] Coarse-grained model mario orsi
[gmx-users] Coarse-grained model Pedro Alexandre Lapido Loureiro
[gmx-users] Rhodopsin in membrane EM Michal Kolinski
[gmx-users] Instal Gromacs-3.2.1 in Mac OSX Bo Yang
[gmx-users] Instal Gromacs-3.2.1 in Mac OSX Ken Rotondi
[gmx-users] Instal Gromacs-3.2.1 in Mac OSX David
[gmx-users] Instal Gromacs-3.2.1 in Mac OSX Choon Peng
[gmx-users] Flying water on monolayer? Hector Mrz-Seara Monne
[gmx-users] Formula for opls potential in gromacs Markus O Kaukonen
[gmx-users] What is 'rest' in g_energy Markus O Kaukonen
[gmx-users] nose-hoover implementation Michel Cuendet
[gmx-users] What is 'rest' in g_energy David van der Spoel
[gmx-users] [Fwd: ffoplsaabon.itp Help] David van der Spoel
[gmx-users] Re: What is 'rest' in g_energy Markus O Kaukonen
[gmx-users] Re: What is 'rest' in g_energy David van der Spoel
[gmx-users] How to make PCA effective? Jinzhi Tan
[gmx-users] PCA problems David van der Spoel
[gmx-users] more problems with building blocks and pdb2gmx gloria
[gmx-users] dummy particles Arturas
[gmx-users] more problems with building blocks and pdb2gmx Gerrit Groenhof
[gmx-users] dummy particles David van der Spoel
[gmx-users] more problems with building blocks and pdb2gmx David van der Spoel
[gmx-users] (no subject) SLN Prasad Reddy
[gmx-users] trr visualization Cesar Lopez
[gmx-users] trr visualization David
[gmx-users] bilayer leaflets separating Amadeu
[gmx-users] trr visualization Kay Gottschalk
[Fwd: Re[2]: [gmx-users] dummy particles] David van der Spoel
[Fwd: Re[2]: [gmx-users] dummy particles] David van der Spoel
[gmx-users] opls dihedral function Frauke Meyer
[gmx-users] bilayer leaflets separating Tsjerk Wassenaar
[Fwd: Re[2]: [gmx-users] dummy particles] Arturas
[gmx-users] bilayer leaflets separating Florian Haberl
[gmx-users] dummy constant calculations Arturas
[Fwd: Re[2]: [gmx-users] dummy particles] David van der Spoel
[gmx-users] Re: Re: trr visualization Kia Balali-Mood
[gmx-users] Re: Self made GDP topology file....deforms during EM...and the reason Ruben M Buey
[gmx-users] dummy constant calculations David van der Spoel
[gmx-users] bilayer leaflets separating Amadeu
[gmx-users] bilayer leaflets separating David van der Spoel
[gmx-users] GROMACS viscosity questions Chris O'Brien
[gmx-users] bilayer leaflets separating Marcos Villarreal
[gmx-users] bilayer leaflets separating Xavier Periole
[gmx-users] bilayer leaflets separating Amadeu
[gmx-users] dummy constant calculations Arturas
[gmx-users] bilayer leaflets separating David van der Spoel
[gmx-users] Re: Re: trr visualization Cesar Lopez
[gmx-users] trr visualization Cesar Lopez
[gmx-users] dummy constant calculations David van der Spoel
[gmx-users] flying water on monolayer Hector Martinez-Seara Monne
[gmx-users] Re: Self made GDP topology file....deforms during EM...and the reason Henrik te Heesen
[gmx-users] flying water on monolayer Pedro Alexandre Lapido Loureiro
[gmx-users] flying water on monolayer McMullen, Roger L
[gmx-users] Re: Simplified molecular dynamics David
[gmx-users] Problems with g_traj program Sergio Teixeira Amzalak
[gmx-users] Problems with g_traj program David
[gmx-users] gmx tools output option Sidney Elmer
[gmx-users] gmx tools output option David
[gmx-users] test message David
[gmx-users] bilayer leaflets separating eric jakobsson
[gmx-users] flying water on monolayer eric jakobsson
[gmx-users] bilayer leaflets separating David van der Spoel
[gmx-users] error in installation Fabio Affinito
[gmx-users] (no subject) mymonii at pob.huji.ac.il
[gmx-users] error in installation Florian Haberl
[gmx-users] a question yangkun at dlut.edu.cn
[gmx-users] error in installation Fabio Affinito
[gmx-users] simulation in acetonitrile srana at chem.iitb.ac.in
[gmx-users] adding dihedral terms David L. Bostick
[gmx-users] adding dihedral terms David
[gmx-users] Inconsistency in g_dist calculation sunita at chem.iitb.ac.in
[gmx-users] Inconsistency in g_dist calculation Berk Hess
[gmx-users] NH2 angles wrong in calch.c Charles Karney
[gmx-users] potential energy in force.c Nguyen Hoang Phuong
[gmx-users] potential energy in force.c Pradip Kumar Biswas
[gmx-users] TIP4 and pdb2gmx Frauke Meyer
[gmx-users] How to exclude 1-4 interactions within a given group? Markus O Kaukonen
[gmx-users] TIP4 and pdb2gmx David van der Spoel
[gmx-users] How to exclude 1-4 interactions within a given group? David van der Spoel
[gmx-users] sas and index files Aswin Narain
[gmx-users] Leap2gmx Florian Haberl
[gmx-users] sas and index files David van der Spoel
[gmx-users] RE: free energy vincenzo venditti
[gmx-users] g_wham input list Fabio Affinito
[gmx-users] error message Leonardo Giantini Trabuco
[gmx-users] force in force.c Nguyen Hoang Phuong
[gmx-users] g_wham input list Oliver Beckstein
[gmx-users] sas and index files Marc Vogt
[gmx-users] g_potential output Andre Farias de Moura
[gmx-users] what is the best? Cesar Lopez
[gmx-users] benchmarking gromacs Rajiv
[gmx-users] trjconv and multimers Anton Feenstra
[gmx-users] benchmarking gromacs Florian Haberl
[gmx-users] trjconv and multimers David van der Spoel
[gmx-users] request baldelli.ilaria
[gmx-users] trjconv and multimers Anton Feenstra
[gmx-users] request David van der Spoel
[gmx-users] dynamic do not write file *.edr Hector Martinez-Seara Monne
[gmx-users] problems installing gromacs in rocks Rajiv
[gmx-users] problems installing gromacs in rocks David van der Spoel
[gmx-users] Heme iron - substrate distance Andrea Hombrecher
[gmx-users] Patch for wrong NH2 angles in calch.c Charles Karney
[gmx-users] mdp for membrane proteins Michal Kolinski
[gmx-users] g_wham input list Anton Feenstra
[gmx-users] RE: free energy Anton Feenstra
[gmx-users] question about g_energy and frames Leonardo Sepulveda
[gmx-users] adding dihedral terms Anton Feenstra
[gmx-users] simulation in acetonitrile Anton Feenstra
[gmx-users] a question Anton Feenstra
[gmx-users] mdp for membrane proteins Itamar Kass
[gmx-users] Switching off Coulombs for a charge group. Pradip Kumar Biswas
[gmx-users] Switching off Coulombs for a charge group. David
[gmx-users] question about g_energy and frames David
[gmx-users] dynamic do not write file *.edr parinald at unsl.edu.ar
[gmx-users] Switching off Coulombs for a charge group. Pradip Kumar Biswas
[gmx-users] Switching off Coulombs for a charge group. David
[gmx-users] restraint/freeze issues Ken Rotondi
[gmx-users] A problem? Attn: authors/developers Pradip Kumar Biswas
[gmx-users] Switching off Coulombs for a charge group. Sandeep Somani
[gmx-users] Lincs warning spc dsh2002 at med.cornell.edu
[gmx-users] Lincs warning spc dsh2002 at med.cornell.edu
[gmx-users] Installation -Mac-Root Bo Yang
[gmx-users] Installation -Mac-Root Choon Peng
[gmx-users] Installation -Mac-Root Gerrit Groenhof
[gmx-users] [Fwd: question about em in gromacs] David van der Spoel
[gmx-users] Installation -Mac-Root David van der Spoel
[gmx-users] A problem? Attn: authors/developers David van der Spoel
[gmx-users] Switching off Coulombs for a charge group. David van der Spoel
[gmx-users] restraint/freeze issues David van der Spoel
[gmx-users] Alternating current electric field xieyh at hkusua.hku.hk
[gmx-users] Are Gromacs 3.2.1 and FFTW 3.0.1 compatible? Joao Renato Carvalho Muniz
[gmx-users] Alternating current electric field David van der Spoel
[gmx-users] Are Gromacs 3.2.1 and FFTW 3.0.1 compatible? david.evans at ulsop.ac.uk
[gmx-users] Are Gromacs 3.2.1 and FFTW 3.0.1 compatible? Milan Melichercik
[gmx-users] RE: free energy Nguyen Hoang Phuong
[gmx-users] SPC/E water Ester Chiessi
[gmx-users] SPC/E water David van der Spoel
[gmx-users] New Official Release Isabella Daidone
[gmx-users] DPPC equilibration problems Santi Esteban Martin
[Spam: ***** SpamScore] [gmx-users] DPPC equilibration problems David L. Bostick
[gmx-users] fftw & enable-float Bo Yang
[gmx-users] specify node number in parallel simulation Lianqing Zheng
[gmx-users] Re: fftw & enable-float Bo Yang
[gmx-users] Excluding coulomb interactions only Walter Ash
[gmx-users] fftw & enable-float Bo Yang
[gmx-users] fftw & enable-float Choon Peng
[gmx-users] specify node number in parallel simulation Itamar Kass
[gmx-users] Excluding coulomb interactions only David
[gmx-users] continuation of simulation Dinesh Pinisetty
[gmx-users] Errors ali.hassanali.1
[gmx-users] continuation of simulation David
[gmx-users] David, still confused with alternating current electric field. xieyh at hkusua.hku.hk
[gmx-users] David, still confused with the alternating current electric field. xieyh at hkusua.hku.hk
[gmx-users] David, still confused with the alternating current electric field. David
[gmx-users] Gromacs-3.2.1-install: errors Bo Yang
[gmx-users] Gromacs-3.2.1-install: errors Oliver Beckstein
[gmx-users] energy minimization runs with error like too large force on atom 7773 HR Hu
[gmx-users] source Bo Yang
[gmx-users] source Choon Peng
[gmx-users] energy minimization runs with error like too large force on atom 7773 David van der Spoel
[gmx-users] genion deletion edges dsh2002 at med.cornell.edu
[gmx-users] calculation of pKa values Peter Trodler
[gmx-users] Re: David, still confused with the alternating current xieyh at hkusua.hku.hk
[gmx-users] Re: David, still confused with the alternating current David van der Spoel
[gmx-users] genion deletion edges David van der Spoel
[gmx-users] SDS micelle Aina Quintilla
[gmx-users] SDS micelle Florian Haberl
[gmx-users] still don't know how to modify my input file: Re: energy minimization runs with error like too large force HR Hu
[gmx-users] still don't know how to modify my input file: Re: energy minimization runs with error like too large force Xavier Periole
[gmx-users] still don't know how to modify my input file: Re: energy minimization runs with error like too large force David van der Spoel
[gmx-users] interaction energy Cesar Lopez
[gmx-users] genion deletion edges dsh2002 at med.cornell.edu
[gmx-users] genion deletion edges David
[gmx-users] flexibility parinald at unsl.edu.ar
[gmx-users] genion deletion edges Dallas Warren
[gmx-users] Gromacs: installed Bo Yang
[gmx-users] continuation of simulation Dinesh Pinisetty
[gmx-users] How to benchmark gromacs Rajiv
[gmx-users] g_filter Frauke Meyer
[gmx-users] How to benchmark gromacs David van der Spoel
[gmx-users] continuation of simulation David van der Spoel
[gmx-users] flexibility David van der Spoel
[gmx-users] calculation of pKa values Xavier Periole
[gmx-users] How to benchmark gromacs Rajiv
[gmx-users] How to benchmark gromacs Rajiv
[gmx-users] calculation of pKa values Antonio Baptista
[gmx-users] parallel run error Lianqing Zheng
[gmx-users] parallel run error David
[gmx-users] parallel run error Lianqing Zheng
[gmx-users] parallel run error David
[gmx-users] Fatal error: Atom O in residue COC 1 not found in rtp entry with 22 atoms Yunfeng Hu
[gmx-users] parallel run error Lianqing Zheng
[gmx-users] How to benchmark gromacs Rajiv
[gmx-users] How to benchmark gromacs Dallas Warren
[gmx-users] salt bridge on protein surface Maarten Wolf
[gmx-users] Fatal error: Atom O in residue COC 1 not found in rtp entry with 22 atoms Tsjerk Wassenaar
[gmx-users] Fatal error: Atom O in residue COC 1 not found in rtp entry with 22 atoms Florian Haberl
[gmx-users] parallel run error David van der Spoel
[gmx-users] [Fwd: please help me with PCA questions] David van der Spoel
[gmx-users] salt bridge on protein surface David van der Spoel
[gmx-users] [Fwd: please help me with PCA questions] Tsjerk Wassenaar
[gmx-users] SP4 vs cluster linux David van der Spoel
[gmx-users] SP4 vs cluster linux Fabio Affinito
[gmx-users] Re: Salt bridge on Protein Surface Maarten Wolf
[gmx-users] Re: Salt bridge on Protein Surface David van der Spoel
[gmx-users] Changing Ionic strength in gromacs Miguel Machuqueiro
[gmx-users] (no subject) SLN Prasad Reddy
[gmx-users] Changing Ionic strength in gromacs David van der Spoel
[gmx-users] Parallel run M.Naser
[gmx-users] (no subject) Xavier Periole
[gmx-users] calculation of pKa values Eric Jakobsson
[gmx-users] Parallel run error M.Naser
[gmx-users] (no subject) vincenzo venditti
[gmx-users] Parallel run error David
[gmx-users] Parallel run error M.Naser
[gmx-users] Fatal error: Atom O in residue COC 1 not Yunfeng Hu
[gmx-users] EM toward normal modes analysis Itamar Kass
[gmx-users] Parallel run error Itamar Kass
[gmx-users] Fatal error: Atom O in residue COC 1 not David
[gmx-users] Parallel run error M.Naser
[gmx-users] problems Lianqing Zheng
[gmx-users] problems David
[gmx-users] Parallel run error David
[gmx-users] Fatal error: Atom O in residue COC 1 not Yunfeng Hu
[gmx-users] Analysis in Matlab Aaron Shui
[gmx-users] Parallel run error Itamar Kass
[gmx-users] Fatal error: Atom O in residue COC 1 not David van der Spoel
[gmx-users] Analysis in Matlab David van der Spoel
[gmx-users] grompp fatal error SLN Prasad Reddy
[gmx-users] grompp fatal error Florian Haberl
[gmx-users] positional restraint Alok
[gmx-users] positional restraint David van der Spoel
[gmx-users] positional restraint Alok
[gmx-users] combined ED vincenzo venditti
[gmx-users] combined ED Mu Yuguang (Dr)
[gmx-users] positional restraint Xavier Periole
[gmx-users] Parallel run error M.Naser
[gmx-users] AtomType IW Error ali.hassanali.1
[gmx-users] Parallel run error Anton Feenstra
[gmx-users] grompp fatal error Anton Feenstra
[gmx-users] Polymer Chain Length xieyh at hkusua.hku.hk
[gmx-users] positional restraint Alok
[gmx-users] file conversion mprabha at fiu.edu
[gmx-users] EM toward normal modes analysis mprabha at fiu.edu
[gmx-users] Polymer Chain Length Dallas Warren
[gmx-users] support on X_86*64 Rajiv
[gmx-users] positional restraint Xavier Periole
[gmx-users] support on X_86*64 David van der Spoel
[gmx-users] GROMACS parallel performance Zhong Wenyu
[gmx-users] support on X_86*64 Rajiv
[gmx-users] normal mode analysis hj zou
[gmx-users] Analysis in Matlab Aaron Shui
[gmx-users] Analysis in Matlab David
[gmx-users] positional restraint Alok
[gmx-users] Parallel run error M.Naser
[gmx-users] question about number of atomic contacts beetween residues Leonardo Sepulveda
[gmx-users] Re: salt solution Oliver Beckstein
[gmx-users] Re: salt solution eric jakobsson
[gmx-users] flexibility parinald at unsl.edu.ar
[gmx-users] flexibility Y U Sasidhar
[gmx-users] Deshuffling of .xtc file Ivano Eberini
[gmx-users] Conversion of a Gromacs (sub)system to mol2 ? Marc Baaden
[gmx-users] trjconv -fit rot+trans Abil Aliev
[gmx-users] trjconv -fit rot+trans David
[gmx-users] Deshuffling of .xtc file David
[gmx-users] protein in a crystal Raul
[gmx-users] (no subject) Marcin Wojdyr
[gmx-users] Re: Different sets of residues for ensemble fitting and RMSF calculation Zhenting Gao
[gmx-users] trjconv -fit rot+trans Abil Aliev
[gmx-users] protein in a crystal David van der Spoel
[gmx-users] (no subject) David van der Spoel
[gmx-users] trjconv -fit rot+trans David van der Spoel
[gmx-users] normal mode analysis hj zou
[gmx-users] protein in a crystal Daan van Aalten
[gmx-users] Re: Deshuffling of .xtc file Ivano Eberini
[gmx-users] Re: Deshuffling of .xtc file David van der Spoel
[gmx-users] Diferent ensambles for monolayers dynamics Hector Mrz-Seara Monne
[gmx-users] Re: Deshuffling of .xtc file Ivano Eberini
[gmx-users] Diferent ensambles for monolayers dynamics Andre Farias de Moura
[gmx-users] Diferent ensambles for monolayers dynamics David van der Spoel
[gmx-users] Diferent ensambles for monolayers dynamics Hector Mrz-Seara Monne
[gmx-users] Diferent ensambles for monolayers dynamics David van der Spoel
[gmx-users] positional restraint Xavier Periole
[gmx-users] Re: Different sets of residues for ensemble fitting and RMSF calculation Xavier Periole
[gmx-users] positional restraint David van der Spoel
[gmx-users] positional restraint Xavier Periole
[gmx-users] Conversion of a Gromacs (sub)system to mol2 ? Cesar Lopez
[gmx-users] artificial stabilization of helical content Germana Paterlini
[gmx-users] artificial stabilization of helical content David van der Spoel
[gmx-users] charmm FF to Gromacs FF Fabio Affinito
[gmx-users] artificial stabilization of helical content Anton Feenstra
[gmx-users] Conversion of a Gromacs (sub)system to mol2 ? Anton Feenstra
[gmx-users] Re: Deshuffling of .xtc file Anton Feenstra
[gmx-users] protein in a crystal Anton Feenstra
[gmx-users] (no subject) Anton Feenstra
[gmx-users] question about number of atomic contacts beetween residues Anton Feenstra
[gmx-users] Grompp-error message chandran karunakaran
[gmx-users] Grompp-error message David
[gmx-users] positional restraint Alok
[gmx-users] positional restraint David
[gmx-users] centering Marc Vogt
[gmx-users] Negative arginine? Steven Spronk
[gmx-users] Negative arginine? David
[gmx-users] Negative arginine? Steven Spronk
[gmx-users] positional restraint Alok
[gmx-users] Conversion of a Gromacs (sub)system to mol2 ? Marc Baaden
[gmx-users] protein in a crystal Daan van Aalten
[gmx-users] GROMACS parallel performance(sorry to post again) Zhong Wenyu
[gmx-users] the protein drifts when molecular dynanic simulation zjim
[gmx-users] the protein drifts when molecular dynanic simulation David van der Spoel
[gmx-users] GROMACS parallel performance(sorry to post again) David van der Spoel
[gmx-users] the protein drifts when molecular dynanic simulation Florian Haberl
[gmx-users] force constants Arturas
[gmx-users] [Fwd: dna in gromacs] David van der Spoel
Re: Re: [gmx-users] the protein drifts when molecular dynanic simulation zjim
[gmx-users] question about number of atomic contacts beetween residues Leonardo Sepulveda
[gmx-users] problems Lianqing Zheng
[gmx-users] positional restraint Xavier Periole
[gmx-users] question about number of atomic contacts beetween residues Anton Feenstra
[gmx-users] force constants Anton Feenstra
[gmx-users] protein in a crystal Anton Feenstra
[gmx-users] Negative arginine? Anton Feenstra
[gmx-users] centering Marc Vogt
[gmx-users] centering Anton Feenstra
[gmx-users] force constants Lars Schaefer
[gmx-users] positional restraint Alok
[gmx-users] problems David
[gmx-users] positional restraint David
[gmx-users] positional restraint David
[gmx-users] .tpr file Dinesh Pinisetty
[gmx-users] .tpr file David
[gmx-users] problems Lianqing Zheng

Last message date: Tue Nov 30 19:40:02 CET 2004
Archived on: Thu Nov 14 12:01:09 CET 2013

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