February 2006 Archives by author

Messages sorted by: [ thread ] [ subject ] [ date ]
More info on this list...

Starting: Wed Feb 1 02:07:37 CET 2006
Ending: Tue Feb 28 23:37:51 CET 2006
Messages: 660

[gmx-users] opls charge Mu Yuguang (Dr)
[gmx-users] how to output the vectors of pricipal axes from the g_gyrate Mu Yuguang (Dr)
[gmx-users] how to output the vectors of pricipal axes from theg_gyrate Mu Yuguang (Dr)
[gmx-users] how about PBS professional 7.1 Mu Yuguang (Dr)
[gmx-users] Netiquette on the gromacs user list? Mu Yuguang (Dr)
[gmx-users] a question about gmx3.3 replica exchange Mu Yuguang (Dr)
[gmx-users] Netiquette on the gromacs user list? Daan van Aalten
[gmx-users] MPI scaling (was RE: MPI tips) Mark Abraham
[gmx-users] manual inconsistency Mark Abraham
[gmx-users] MPI flavours Mark Abraham
[gmx-users] manual inconsistency Mark Abraham
[gmx-users] Re: MPI scaling (was RE: MPI tips) Mark Abraham
[gmx-users] RNA compatiable FF in GROMACS3.3 Mark Abraham
[gmx-users] self assembly of protein Mark Abraham
[gmx-users] pressure coupling Mark Abraham
[gmx-users] Some parameters in the mdp file Mark Abraham
[gmx-users] restart Mark Abraham
[gmx-users] box size and pbc Mark Abraham
[gmx-users] dividing too large trajectory into smaller fragments Mark Abraham
[gmx-users] dividing too large trajectory into smaller fragments Mark Abraham
[gmx-users] CP atom type Mark Abraham
[gmx-users] top file confusion Mark Abraham
[gmx-users] box size and pbc Mark Abraham
[gmx-users] CP atom type Mark Abraham
[gmx-users] I want to know how to make pdb file with 2d structrure file. Mark Abraham
[gmx-users] Hyperthreading on or off? Mark Abraham
[gmx-users] Simulating a peptide Mark Abraham
[gmx-users] windows Mark Abraham
[gmx-users] REMD simulations in Gromacs 3.3 Mark Abraham
[gmx-users] rerun forces Mark Abraham
[gmx-users] Extra paramter to watch for mutants activity in MD run Mark Abraham
[gmx-users] Influence from images (PBC) Mark Abraham
[gmx-users] g_dih Mark Abraham
[gmx-users] distance constraints Mark Abraham
[gmx-users] D-amino acids simulation Mark Abraham
[gmx-users] rerun forces Mark Abraham
[gmx-users] ewald_rtol and convergence Mark Abraham
[gmx-users] distance constraints Mark Abraham
[gmx-users] OPLSS-AA Mark Abraham
[gmx-users] is there any reasonable way to produce a custom topology? Mark Abraham
[gmx-users] is there any reasonable way to produce a custom topology? Mark Abraham
[gmx-users] that is not about abuse Mark Abraham
[gmx-users] genius software Mark Abraham
[gmx-users] checking oplsaa parameters in the .top file Mark Abraham
[gmx-users] What's the best distribution for gromacs? Mark Abraham
[gmx-users] lincs contraint failure Mark Abraham
[gmx-users] Replica exchange shell script Mark Abraham
[gmx-users] Replica exchange shell script Mark Abraham
[gmx-users] pressure scaling and hard drive space Mark Abraham
[gmx-users] Re: Counterions: influence on protein dynamics. Mark Abraham
[gmx-users] lincs contraint failure Mark Abraham
[gmx-users] Simulation Techniques***Energy minimisation for Small Molecules. Mark Abraham
[gmx-users] Change restraints during md Mark Abraham
[gmx-users] Change restraints during md Mark Abraham
[gmx-users] question about exploding Mark Abraham
[gmx-users] Both Steepest and Conjugate didn't converge Prettina Anto_Louis
[gmx-users] Both Steepest and Conjugate didn't converge Prettina Anto_Louis
[gmx-users] NMA problem (again and again!) Rossen Apostolov
[gmx-users] NMA problem (again and again!) Rossen Apostolov
[gmx-users] NMA problem (again and again!) Rossen Apostolov
[gmx-users] g_nmeig convergence Rossen Apostolov
[gmx-users] Diffusion Coefficient calculations problem Alexandre Suman de Araujo
[gmx-users] Diffusion Coefficient calculations problem Alexandre Suman de Araujo
[gmx-users] Diffusion Coefficient from VAC Alexandre Suman de Araujo
[gmx-users] Diffusion Coefficient from VAC Alexandre Suman de Araujo
[gmx-users] Diffusion Coefficient from VAC Alexandre Suman de Araujo
[gmx-users] Diffusion Coefficient from VAC Alexandre Suman de Araujo
[gmx-users] Diffusion Coefficient from VAC Alexandre Suman de Araujo
[gmx-users] Diffusion Coefficient from VAC Alexandre Suman de Araujo
[gmx-users] rerun forces Attilio
[gmx-users] rerun forces Attilio
[gmx-users] g_sas -or Anthony Cruz Balberdi
[gmx-users] Re: Counterions: influence on protein dynamics. Antonio Baptista
[gmx-users] Both Steepest and Conjugate didn't converge Pradip Kumar Biswas
[gmx-users] Both Steepest and Conjugate didn't converge Pradip Kumar Biswas
[gmx-users] QM/MM features Pradip Kumar Biswas
[gmx-users] PME scaling Robert Bjornson
[gmx-users] Interaction Energies for QSAR analisys Monique Brito
[gmx-users] problems with compiling CVS source, nb_kernel010_c.lo is not a valid libtool object Michael Brunsteiner
[gmx-users] reference for gromos96 43a1 Christian Burisch
[gmx-users] Fatal error: Not enough ref_t and tau_t values! Priscila Capriles
[gmx-users] grompp_d precision Priscila Capriles
[gmx-users] MPI flavours Andrea Carotti
[gmx-users] MPI flavours Andrea Carotti
[gmx-users] Hyperthreading on or off? Andrea Carotti
[gmx-users] Fluctuation dissipation Paolo Cerri
[gmx-users] symtab get_symtab_handle 6139 not found Gaurav Chopra
[gmx-users] Re: symtab get_symtab_handle 6139 not found Gaurav Chopra
[gmx-users] Fatal Error: Wrong string Length and XTC error Gaurav Chopra
[gmx-users] Fatal error: Atomtype 'CT' not found! Luciano Costa
[gmx-users] running grompp in alpha COMPAQ Luciano Costa
[gmx-users] running grompp in alpha COMPAQ Luciano Costa
[gmx-users] secondary structure index Anthony Cruz
[gmx-users] countinuation run problem Anthony Cruz
[gmx-users] countinuation run problem Anthony Cruz
[gmx-users] countinuation run problem Anthony Cruz
[gmx-users] constraints and restraints Grazia Daminelli
[gmx-users] output control Grazia Daminelli
[gmx-users] using gmxchek -f traj.trr -s1 topol.tpr Grazia Daminelli
[gmx-users] again gmxcheck Grazia Daminelli
[gmx-users] RE: again gmxcheck Grazia Daminelli
[gmx-users] MPI flavours Alan Dodd
[gmx-users] g_order problem Alan Dodd
[gmx-users] still g_order problem! Alan Dodd
[gmx-users] Lipid simulations in 3.3 Alan Dodd
[gmx-users] 3.3 parallel runs - Lincs/PME/sorting errors? Alan Dodd
[gmx-users] 3.3 parallel runs - Lincs/PME/sorting errors? Alan Dodd
[gmx-users] pair-distance distribution function Jon Ellis
[gmx-users] Counterions: influence on protein dynamics. Maxim Fedorov
[gmx-users] Analysis programs and PBC. Maxim Fedorov
[gmx-users] Analysis programs and PBC. Maxim Fedorov
[gmx-users] Analysis programs and PBC. Maxim Fedorov
[gmx-users] Re: Counterions: influence on protein dynamics. Maxim Fedorov
[gmx-users] Analysis programs and PBC. Maxim Fedorov
[gmx-users] sw water problem Anton Feenstra
[gmx-users] coordinate file is mandatory? Anton Feenstra
[gmx-users] Re: g_hbond Anton Feenstra
[gmx-users] simulation crash Anton Feenstra
[gmx-users] HEME-LIGAND Anton Feenstra
[gmx-users] gmx-users Digest, Vol 21, Issue 74 Anton Feenstra
[gmx-users] Analysis programs and PBC. Anton Feenstra
[gmx-users] Re: gmx-users Digest, Vol 22, Issue 106 Jorge Hernandez Fernandez
[gmx-users] Compilation problem on SGI ORIGIN 3800 Patrick Fuchs
[gmx-users] RNA compatiable FF in GROMACS3.3 Maik Goette
[gmx-users] dummy atoms for amber free energy Maik Goette
[gmx-users] Re: converting pdb to gmx successfully - how? Maik Goette
[gmx-users] dummy atoms for amber free energy Maik Goette
[gmx-users] Re: converting pdb to gmx successfully Maik Goette
[gmx-users] Re: converting pdb to gmx successfully Maik Goette
[gmx-users] I want to know how to make pdb file with 2d structrure file. Maik Goette
[gmx-users] AFM pulling "group" question Maik Goette
[gmx-users] Error when using AFM Pulling Maik Goette
[gmx-users] is there any reasonable way to produce a custom topology? Maik Goette
[gmx-users] Netiquette on the gromacs user list? Maik Goette
[gmx-users] distance constraints Maik Goette
[gmx-users] RNA gro to pdbqs Maik Goette
[gmx-users] nucleic acis simulation Maik Goette
[gmx-users] D-amino acids simulation Arnold Perez Goicochea
[gmx-users] Re: gmx-users Digest, Vol 22, Issue 84 Arnold Perez Goicochea
[gmx-users] reference for gromos96 43a1 Kay Gottschalk
[gmx-users] can gromacs read amber trajectory Florian Haberl
[gmx-users] "B" state for free energy corrupts minimization? Berk Hess
[gmx-users] Reducing fast motion with Langevin Dynamics Berk Hess
[gmx-users] manual inconsistency Berk Hess
[gmx-users] "B" state for free energy corrupts minimization? Berk Hess
[gmx-users] COM removal Berk Hess
[gmx-users] spurious dihedral warnings Berk Hess
[gmx-users] trjconv PDB format problems (3.2.1) Berk Hess
[gmx-users] spurious dihedral warnings Berk Hess
[gmx-users] spurious dihedral warnings Berk Hess
[gmx-users] spurious dihedral warnings Berk Hess
[gmx-users] dummy atoms for amber free energy Berk Hess
[gmx-users] stochastic thermostat Berk Hess
[gmx-users] questions related to genpairs=no Berk Hess
[gmx-users] questions related to genpairs=no Berk Hess
[gmx-users] Fluctuation dissipation Berk Hess
[gmx-users] Re:gmxdemo: peptide to real protein and boom Berk Hess
[gmx-users] Re:gmxdemo: peptide to real protein and boom Berk Hess
[gmx-users] Inconsistent shift warning in g_traj Janne Hirvi
[gmx-users] Energy conservation of rigid water models Janne Hirvi
[gmx-users] Re: Re: Energy conservation of rigid water models Janne Hirvi
[gmx-users] 4xRe: Energy conservation of rigid water models Janne Hirvi
[gmx-users] Both Steepest and Conjugate didn't converge Tim Hohm
[gmx-users] mdrun -x Tamas Horvath
[gmx-users] mdrun -x Tamas Horvath
[gmx-users] trjconv PDB format problems (3.2.1) Tamas Horvath
[gmx-users] trjconv PDB format problems (3.2.1) Tamas Horvath
[gmx-users] trjconv PDB format problems (3.2.1) Tamas Horvath
[gmx-users] trjconv PDB format problems (3.2.1) Tamas Horvath
[gmx-users] gmxdemo: peptide to real protein and boom Tamas Horvath
[gmx-users] gmxdemo: peptide to real protein and boom Tamas Horvath
[gmx-users] Simulating a peptide Tamas Horvath
[gmx-users] genbox fatal error with ligand-receptor complex: realloc for atoms_solvt->atomname : No such file or directory Shanjie Huang
[gmx-users] Calculateing LJ and electrostatic energies Jochen Hub
[gmx-users] opls charge Jochen Hub
[gmx-users] Re: two negtively charhed atoms blow out my molecule Yegor Isakov
[gmx-users] Re: two negtively charhed atoms blow out my molecule Yegor Isakov
[gmx-users] two negtively charhed atoms blow out my molecule Yegor Isakov
[gmx-users] molecules blowing up Yegor Isakov
[gmx-users] is there any reasonable way to produce a custom topology? Yegor Isakov
[gmx-users] how can I get a topology? Yegor Isakov
[gmx-users] Could you give me a link to the script? Yegor Isakov
[gmx-users] Netiquette on the gromacs user list? Yegor Isakov
[gmx-users] that is not about abuse Yegor Isakov
[gmx-users] a real Etiquette Yegor Isakov
[gmx-users] genius software Yegor Isakov
[gmx-users] a real Etiquette. Dear Makoto!!!!! Thank YOU very MUCH!!! Yegor Isakov
[gmx-users] Energy conservation with water Eric Jakobsson
[gmx-users] COM removal Bob Johnson
[gmx-users] Simulation on a substrate Bob Johnson
[gmx-users] Inconsistent shifts in g_rms Bob Johnson
[gmx-users] Error when using AFM Pulling Bob Johnson
[gmx-users] pair-distance distribution function Jon
[gmx-users] windows Eddie Kabarriti
[gmx-users] mdrun with mpich Itamar Kass
[gmx-users] PowerMac Quad Performance Itamar Kass
[gmx-users] rmsd-dist.xvg Itamar Kass
[gmx-users] rmsd-dist.xvg Itamar Kass
[gmx-users] rmsd-dist.xvg Itamar Kass
[gmx-users] Simulating a peptide Itamar Kass
[gmx-users] T-coupling: System vs. Protein Sol? Itamar Kass
[gmx-users] I want to know how to make pdb file with 2d structrure file. Taeho Kim
[gmx-users] distance constraints for two molecules Michal Kolinski
[gmx-users] distance constraints Michal Kolinski
[gmx-users] distance constraints Michal Kolinski
[gmx-users] distance constraints Michal Kolinski
[gmx-users] distance constraints Michal Kolinski
[gmx-users] distance constraints Michal Kolinski
[gmx-users] Change restraints during md Michal Kolinski
[gmx-users] Change restraints during md Michal Kolinski
[gmx-users] lincs in parallel runs Pradeep Kota
[gmx-users] mdrun with mpich Pradeep Kota
[gmx-users] mdrun with mpich Pradeep Kota
[gmx-users] mdrun with mpich Pradeep Kota
[gmx-users] mdrun with mpich Pradeep Kota
[gmx-users] mdrun with mpich Pradeep Kota
[gmx-users] mdrun with mpich Pradeep Kota
[gmx-users] Replica exchange shell script Sukit Leekumjorn
[gmx-users] Replica exchange shell script Sukit Leekumjorn
[gmx-users] Diffusion Coefficient from VAC Frederic Leroy
[gmx-users] Fwd: system cooling down Erik Lindahl
[gmx-users] SGI installation problem: forcing the compilation with gcc Erik Lindahl
[gmx-users] PME scaling Erik Lindahl
[gmx-users] nucleic acis simulation Miguel Ortiz Lombardia
[gmx-users] nucleic acis simulation Miguel Ortiz Lombardia
[gmx-users] nucleic acis simulation Miguel Ortiz Lombardia
[gmx-users] PowerMac Quad Performance Tyler Luchko
[gmx-users] Re: PowerMac Quad Performance (Resolved) Tyler Luchko
[gmx-users] can gromacs read amber trajectory Lydia
[gmx-users] can gromacs read amber trajectory Lydia
[gmx-users] can gromacs read amber trajectory Lydia
[gmx-users] can gromacs read amber trajectory Lydia
[gmx-users] can gromacs read amber trajectory Lydia
[gmx-users] can gromacs read amber trajectory Lydia
[gmx-users] can gromacs read amber trajectory Lydia
[gmx-users] can gromacs read amber trajectory Lydia
[gmx-users] water insertion in hbond analysis Lydia
[gmx-users] water insertion in hbond analysis Lydia
[gmx-users] water insertion in hbond analysis Lydia
[gmx-users] Re: g_hbond MGiò
[gmx-users] QM/MM calculation Mahnam
[gmx-users] Minimization in vacuo Mahnam
[gmx-users] Minimization in vacuo Mahnam
[gmx-users] Re: dPCA Gia Maisuradze
[gmx-users] memory problem (normal mode analysis) Fabrizio Mancinelli
[gmx-users] NMA error Fabrizio Mancinelli
[gmx-users] NMA problem (again and again!) Fabrizio Mancinelli
[gmx-users] NMA problem (again and again!) Fabrizio Mancinelli
[gmx-users] NMA problem (again and again!) Fabrizio Mancinelli
[gmx-users] Minimization in vacuo Fabrizio Mancinelli
[gmx-users] Minimization in vacuo Fabrizio Mancinelli
[gmx-users] Minimization in vacuo Fabrizio Mancinelli
[gmx-users] extrapolating eigenvectors Ruben Martinez-Buey
[gmx-users] g_sgangle & dihedrals Matteo Masetti
[gmx-users] MPI scaling (was RE: MPI tips) David Mathog
[gmx-users] Re: MPI scaling (was RE: MPI tips) David Mathog
[gmx-users] converting pdb to gmx successfully - how? David Mathog
[gmx-users] Re: MPI scaling (was RE: MPI tips) David Mathog
[gmx-users] Re: converting pdb to gmx successfully - how? David Mathog
[gmx-users] Re: converting pdb to gmx successfully - how? David Mathog
[gmx-users] Re: converting pdb to gmx successfully - how? David Mathog
[gmx-users] Re: converting pdb to gmx successfully - how? David Mathog
[gmx-users] Re: converting pdb to gmx successfully David Mathog
[gmx-users] Re: converting pdb to gmx successfully David Mathog
[gmx-users] Re: converting pdb to gmx successfully David Mathog
[gmx-users] Re: converting pdb to gmx successfully David Mathog
[gmx-users] gmxdemo: peptide to real protein and boom David Mathog
[gmx-users] Re: gmxdemo: peptide to real protein and boom David Mathog
[gmx-users] Re:gmxdemo: peptide to real protein and boom David Mathog
[gmx-users] Re:gmxdemo: peptide to real protein and boom David Mathog
[gmx-users] Re:gmxdemo: peptide to real protein and boom David Mathog
[gmx-users] Re:gmxdemo: peptide to real protein and boom David Mathog
[gmx-users] T-coupling: System vs. Protein Sol? David Mathog
[gmx-users] T-coupling: System vs. Protein Sol? David Mathog
[gmx-users] grompp question: rest group created for unspecified constraints David Mathog
[gmx-users] Updated atom name nomenclature table, pre-release available David Mathog
[gmx-users] Re: Updated atom name nomenclature table, pre-release available David Mathog
[gmx-users] Tau_p Fernando Mattio
[gmx-users] Number of degrees of freedom in T-Coupling group Protein is 0.00 Fernando Mattio
[gmx-users] compilation --enable-threads fails Rene Meier
[gmx-users] manual inconsistency David Mobley
[gmx-users] MPI scaling (was RE: MPI tips) David Mobley
[gmx-users] Re: MPI scaling (was RE: MPI tips) David Mobley
[gmx-users] "B" state for free energy corrupts minimization? David Mobley
[gmx-users] dummy atoms for amber free energy David Mobley
[gmx-users] dummy atoms for amber free energy David Mobley
[gmx-users] Re: converting pdb to gmx successfully David Mobley
[gmx-users] cvs problems David Mobley
[gmx-users] cvs problems David Mobley
[gmx-users] cvs problems David Mobley
[gmx-users] T-coupling: System vs. Protein Sol? David Mobley
[gmx-users] Problem with PME David Mobley
[gmx-users] distance constraints David Mobley
[gmx-users] spurious dihedral warnings Moore, Jonathan (J)
[gmx-users] spurious dihedral warnings Moore, Jonathan (J)
[gmx-users] spurious dihedral warnings Moore, Jonathan (J)
[gmx-users] spurious dihedral warnings Moore, Jonathan (J)
[gmx-users] Hyperthreading on or off? Hector Mtz-Seara
[gmx-users] pair-distance distribution function Daniela S. Mueller
[gmx-users] Multiple chains, cofactors and ligands Daniela S. Mueller
[gmx-users] pair-distance distribution function Daniela S. Mueller
[gmx-users] pressure coupling Daniela S. Mueller
[gmx-users] box size and pbc Daniela S. Mueller
[gmx-users] dividing too large trajectory into smaller fragments Daniela S. Mueller
[gmx-users] dividing too large trajectory into smaller fragments Daniela S. Mueller
[gmx-users] I want to know how to make pdb file with 2d structrure file. Daniela S. Mueller
[gmx-users] minimum periodic distance Daniela S. Mueller
[gmx-users] rmsd-dist.xvg Daniela S. Mueller
[gmx-users] Re: dPCA analysis Daniela S. Mueller
[gmx-users] Problem with PME Daniela S. Mueller
[gmx-users] Netiquette on the gromacs user list? Daniela S. Mueller
[gmx-users] Netiquette on the gromacs user list? Daniela S. Mueller
[gmx-users] Analysis programs and PBC. Daniela S. Mueller
[gmx-users] Analysis programs and PBC. Daniela S. Mueller
[gmx-users] (no subject) Naser, Md Abu
[gmx-users] Water density Naser, Md Abu
[gmx-users] Water density Naser, Md Abu
[gmx-users] Water density Naser, Md Abu
[gmx-users] Water density Naser, Md Abu
[gmx-users] ff library confusion Afshin Nasrabad
[gmx-users] ff library confusion Afshin Nasrabad
[gmx-users] ff library confusion Afshin Nasrabad
[gmx-users] NVT simulations Afshin Nasrabad
[gmx-users] stochastic thermostat Dmitry Nerukh
[gmx-users] mdrun -x Osmair Vital de Oliveira
[gmx-users] Re: D-amino acids simulation Kirti Patel
[gmx-users] Water density Michael Patra
[gmx-users] how to skip corrupt frames in trr-file? Alexandra Patriksson
[gmx-users] problem with ligand in a methanol box Gerardo Perez-Hernandez
[gmx-users] problem with ligand in a methanol box Gerardo Perez-Hernandez
[gmx-users] RMSD of extended md Xavier Periole
[gmx-users] Inconsistent shift warning in g_traj Xavier Periole
[gmx-users] Group not found in indexfile Xavier Periole
[gmx-users] ff library confusion Xavier Periole
[gmx-users] simulation box Nguyen Hoang Phuong
[gmx-users] problem with g_rmsf Adriana Pietropaolo
[gmx-users] problem with g_rmsf Adriana Pietropaolo
[gmx-users] problem with g_rmsf Adriana Pietropaolo
[gmx-users] problem with g_rmsf Adriana Pietropaolo
[gmx-users] problem with g_rmsf Adriana Pietropaolo
[gmx-users] problem with g_rmsf Adriana Pietropaolo
[gmx-users] question about dihedral angles check Adriana Pietropaolo
[gmx-users] question about dihedral angles check,reload Adriana Pietropaolo
[gmx-users] OPLSS-AA Adriana Pietropaolo
[gmx-users] OPLSS-AA Adriana Pietropaolo
[gmx-users] OPLSS-AA Adriana Pietropaolo
[gmx-users] Residue-Residue interaction Sekar Ramachandran
[gmx-users] What's the best distribution for gromacs? Bruno Reboredo
[gmx-users] distance constraints Uwe Richter
[gmx-users] distance constraints Uwe Richter
[gmx-users] distance constraints Uwe Richter
[gmx-users] Too much movement in molecular crystal simulation Andrea Robben
[gmx-users] converting pdb to gmx successfully - how? Ken Rotondi
[gmx-users] Re: converting pdb to gmx successfully - how? Ken Rotondi
[gmx-users] Multiple chains, cofactors and ligands YOLANDA SMALL
[gmx-users] Multiple chains, cofactors and ligands--ffgmx unreliable? YOLANDA SMALL
[gmx-users] RE: FFGMX YOLANDA SMALL
[gmx-users] QM/MM features YOLANDA SMALL
[gmx-users] What's the best distribution for gromacs? Karsten SUHRE
[gmx-users] Group not found in indexfile Farid Sa'adedin
[gmx-users] REMD simulations in Gromacs 3.3 Sergey
[gmx-users] ewald_rtol and convergence Michael Shirts
[gmx-users] Energy conservation with water Michael Shirts
[gmx-users] Re: ewald_rtol and convergence Michael Shirts
[gmx-users] Re: ewald_rtol and convergence Michael Shirts
[gmx-users] Re: extrapolating eigenvectors Vojtěch Spiwok
[gmx-users] Re: extrapolating eigenvectors Vojtěch Spiwok
[gmx-users] Units for VIRIAL David van der Spoel
[gmx-users] mdrun with mpich David van der Spoel
[gmx-users] mdrun with mpich David van der Spoel
[gmx-users] mdrun with mpich David van der Spoel
[gmx-users] [Fwd: Regarding pair interactions in ligand itp file] David van der Spoel
[gmx-users] Re: converting pdb to gmx successfully - how? David van der Spoel
[gmx-users] Error in compiling GROMACS3.2.1 David van der Spoel
[gmx-users] Error in compiling GROMACS3.2.1 David van der Spoel
[gmx-users] trjconv PDB format problems (3.2.1) David van der Spoel
[gmx-users] trjconv PDB format problems (3.2.1) David van der Spoel
[gmx-users] Re: converting pdb to gmx successfully - how? David van der Spoel
[gmx-users] xtc error? David van der Spoel
[gmx-users] mdrun with mpich David van der Spoel
[gmx-users] Scalar virial David van der Spoel
[gmx-users] Re: converting pdb to gmx successfully David van der Spoel
[gmx-users] g_order usage David van der Spoel
[gmx-users] Re: Update on virial calculation non consistant David van der Spoel
[gmx-users] Inconsistent shift warning in g_traj David van der Spoel
[gmx-users] Virial Calculation David van der Spoel
[gmx-users] Re: converting pdb to gmx successfully David van der Spoel
[gmx-users] Re: converting pdb to gmx successfully David van der Spoel
[gmx-users] compilation --enable-threads fails David van der Spoel
[gmx-users] Some parameters in the mdp file David van der Spoel
[gmx-users] cvs problems David van der Spoel
[gmx-users] ff library confusion David van der Spoel
[gmx-users] cvs problems David van der Spoel
[gmx-users] Both Steepest and Conjugate didn't converge David van der Spoel
[gmx-users] ff library confusion David van der Spoel
[gmx-users] About topology protein? David van der Spoel
[gmx-users] restart David van der Spoel
[gmx-users] restart David van der Spoel
[gmx-users] Too much movement in molecular crystal simulation David van der Spoel
[gmx-users] symtab get_symtab_handle 6139 not found David van der Spoel
[gmx-users] opls charge David van der Spoel
[gmx-users] PME scaling David van der Spoel
[gmx-users] PowerMac Quad Performance David van der Spoel
[gmx-users] gromos96 file David van der Spoel
[gmx-users] rmsd-dist.xvg David van der Spoel
[gmx-users] NMA error David van der Spoel
[gmx-users] questions related to genpairs=no David van der Spoel
[gmx-users] Fatal Error: Wrong string Length and XTC error David van der Spoel
[gmx-users] gmxdemo: peptide to real protein and boom David van der Spoel
[gmx-users] Re:gmxdemo: peptide to real protein and boom David van der Spoel
[gmx-users] AFM pulling "group" question David van der Spoel
[gmx-users] Re:gmxdemo: peptide to real protein and boom David van der Spoel
[gmx-users] Fluctuation dissipation David van der Spoel
[gmx-users] Vacuum Minimization Problem David van der Spoel
[gmx-users] Re: Re: Energy conservation of rigid water models David van der Spoel
[gmx-users] how to skip corrupt frames in trr-file? David van der Spoel
[gmx-users] NMA problem (again and again!) David van der Spoel
[gmx-users] Inconsistent shifts in g_rms David van der Spoel
[gmx-users] can gromacs read amber trajectory David van der Spoel
[gmx-users] DNA Simulation David van der Spoel
[gmx-users] problems with compiling CVS source, nb_kernel010_c.lo is not a valid libtool object David van der Spoel
[gmx-users] can gromacs read amber trajectory David van der Spoel
[gmx-users] can gromacs read amber trajectory David van der Spoel
[gmx-users] can gromacs read amber trajectory David van der Spoel
[gmx-users] Gromacs-3.14 supports x86-64 CPU ? David van der Spoel
[gmx-users] again gmxcheck David van der Spoel
[gmx-users] g_dih David van der Spoel
[gmx-users] g_dih David van der Spoel
[gmx-users] NMA problem (again and again!) David van der Spoel
[gmx-users] Water density David van der Spoel
[gmx-users] D-amino acids simulation David van der Spoel
[gmx-users] Water density David van der Spoel
[gmx-users] Water density David van der Spoel
[gmx-users] Water density David van der Spoel
[gmx-users] OPLSS-AA David van der Spoel
[gmx-users] running grompp in alpha COMPAQ David van der Spoel
[gmx-users] Problem with PME David van der Spoel
[gmx-users] how to output the vectors of pricipal axes from the g_gyrate David van der Spoel
[gmx-users] Problem with PME David van der Spoel
[gmx-users] Problem with PME David van der Spoel
[gmx-users] Updated atom name nomenclature table, pre-release available David van der Spoel
[gmx-users] Re: ewald_rtol and convergence David van der Spoel
[gmx-users] Netiquette on the gromacs user list? David van der Spoel
[gmx-users] countinuation run problem David van der Spoel
[gmx-users] still Netiquette on the gromacs user list David van der Spoel
[gmx-users] Compilation problem on SGI ORIGIN 3800 David van der Spoel
[gmx-users] countinuation run problem David van der Spoel
[gmx-users] water insertion in hbond analysis David van der Spoel
[gmx-users] water insertion in hbond analysis David van der Spoel
[gmx-users] pressure scaling and hard drive space David van der Spoel
[gmx-users] genbox fatal error with ligand-receptor complex: realloc for atoms_solvt->atomname : No such file or directory David van der Spoel
[gmx-users] Analysis programs and PBC. David van der Spoel
[gmx-users] g_sas -or David van der Spoel
[gmx-users] Analysis programs and PBC. David van der Spoel
[gmx-users] Counterions: influence on protein dynamics. David van der Spoel
[gmx-users] David van der Spoel
[gmx-users] double precision minimization with version 3.3 David van der Spoel
[gmx-users] Simulation problem David van der Spoel
[gmx-users] grompp -check14 David van der Spoel
[gmx-users] pressure scaling and hard drive space David van der Spoel
[gmx-users] Residue-Residue interaction David van der Spoel
[gmx-users] lincs contraint failure David van der Spoel
[gmx-users] grompp -check14 David van der Spoel
[gmx-users] Re: g_hbond David van der Spoel
[gmx-users] nucleic acis simulation David van der Spoel
[gmx-users] nucleic acis simulation David van der Spoel
[gmx-users] Change restraints during md David van der Spoel
[gmx-users] Change restraints during md David van der Spoel
[gmx-users] restart Viswanadham Sridhara
[gmx-users] Water density Viswanadham Sridhara
[gmx-users] Water density Viswanadham Sridhara
[gmx-users] Water density Viswanadham Sridhara
[gmx-users] Diffusion Coefficient from VAC Viswanadham Sridhara
[gmx-users] Diffusion Coefficient from VAC Viswanadham Sridhara
[gmx-users] Diffusion Coefficient from VAC Viswanadham Sridhara
[gmx-users] Diffusion Coefficient from VAC Viswanadham Sridhara
[gmx-users] Diffusion Coefficient from VAC Viswanadham Sridhara
[gmx-users] Diffusion Coefficient from VAC Viswanadham Sridhara
[gmx-users] Problem with PME S. Srikrishna
[gmx-users] pressure scaling and hard drive space Brian Stephenson
[gmx-users] pressure scaling and hard drive space Brian Stephenson
[gmx-users] Problem with Steepest descents Dr. Ulf Strijowski
[gmx-users] Problem with PME Srikrishna Sureshkumar
[gmx-users] Problem with PME Srikrishna Sureshkumar
[gmx-users] Units for VIRIAL Tandia, Adama
[gmx-users] Scalar virial Tandia, Adama
[gmx-users] Virial Calculation Tandia, Adama
[gmx-users] Implicit solvent, Generalized Born ... Stéphane Teletchéa
[gmx-users] Minimization in vacuo Stéphane Teletchéa
[gmx-users] Minimization in vacuo Stéphane Teletchéa
[gmx-users] What's the best distribution for gromacs? Stéphane Teletchéa
[gmx-users] What's the best distribution for gromacs? Stéphane Teletchéa
[gmx-users] Cys protonation state-Zn modeling Nuri A Temiz
[gmx-users] solvent out of box with genbox Nuri A Temiz
[gmx-users] solvent out of box with genbox Nuri A Temiz
[gmx-users] Minimization in vacuo Nuri A Temiz
[gmx-users] lincs contraint failure Nuri A Temiz
[gmx-users] lincs contraint failure Nuri A Temiz
[gmx-users] self assembly of protein Pednekar Deepa V.
[gmx-users] Re: MPI scaling (was RE: MPI tips) Lubos Vrbka
[gmx-users] AFM pulling "group" question Artit Wangperawong
[gmx-users] AFM pulling "group" question Artit Wangperawong
[gmx-users] Diffusion Coefficient calculations problem Dallas B. Warren
[gmx-users] dividing too large trajectory into smaller fragments Dallas B. Warren
[gmx-users] top file confusion Dallas B. Warren
[gmx-users] converting pdb to gmx successfully - how? Tsjerk Wassenaar
[gmx-users] Re: converting pdb to gmx successfully - how? Tsjerk Wassenaar
[gmx-users] Multiple chains, cofactors and ligands Tsjerk Wassenaar
[gmx-users] Multiple chains, cofactors and ligands--ffgmx unreliable? Tsjerk Wassenaar
[gmx-users] Re: two negtively charhed atoms blow out my molecule Tsjerk Wassenaar
[gmx-users] Both Steepest and Conjugate didn't converge Tsjerk Wassenaar
[gmx-users] box size and pbc Tsjerk Wassenaar
[gmx-users] pressure coupling and running MD Tsjerk Wassenaar
[gmx-users] dssp program Tsjerk Wassenaar
[gmx-users] Both Steepest and Conjugate didn't converge Tsjerk Wassenaar
[gmx-users] simulation box Tsjerk Wassenaar
[gmx-users] solvent out of box with genbox Tsjerk Wassenaar
[gmx-users] problem with g_rmsf Tsjerk Wassenaar
[gmx-users] problem with g_rmsf Tsjerk Wassenaar
[gmx-users] rmsd-dist.xvg Tsjerk Wassenaar
[gmx-users] Re:gmxdemo: peptide to real protein and boom Tsjerk Wassenaar
[gmx-users] dPCA analysis Tsjerk Wassenaar
[gmx-users] molecules blowing up Tsjerk Wassenaar
[gmx-users] isoaspartic acid Tsjerk Wassenaar
[gmx-users] mix solvent Tsjerk Wassenaar
[gmx-users] RMSD/Points on different curves Tsjerk Wassenaar
[gmx-users] is there any reasonable way to produce a custom topology? Tsjerk Wassenaar
[gmx-users] Minimization in vacuo Tsjerk Wassenaar
[gmx-users] Netiquette on the gromacs user list? Tsjerk Wassenaar
[gmx-users] Could you give me a link to the script? Tsjerk Wassenaar
[gmx-users] a real Etiquette Tsjerk Wassenaar
[gmx-users] LINCS warning in Position Restraint Tsjerk Wassenaar
[gmx-users] Analysis programs and PBC. Tsjerk Wassenaar
[gmx-users] Analysis programs and PBC. Tsjerk Wassenaar
[gmx-users] Re: Counterions: influence on protein dynamics. Tsjerk Wassenaar
[gmx-users] EMBO'04 Membrane Protein Practical Christoph Weise
[gmx-users] Re: converting pdb to gmx successfully Rongliang Wu
[gmx-users] g_order usage Rongliang Wu
[gmx-users] g_order problem Rongliang Wu
[gmx-users] still g_order problem! Rongliang Wu
[gmx-users] top file confusion Rongliang Wu
[gmx-users] CP atom type Rongliang Wu
[gmx-users] CP atom type Rongliang Wu
[gmx-users] opls error Rongliang Wu
[gmx-users] opls charge Rongliang Wu
[gmx-users] opls charge Rongliang Wu
[gmx-users] gromos96 file Rongliang Wu
[gmx-users] restart Yujie Wu
[gmx-users] restart Yujie Wu
[gmx-users] restart Yujie Wu
[gmx-users] secondary structure index X.Periole
[gmx-users] rmsd-dist.xvg X.Periole
[gmx-users] rmsd-dist.xvg X.Periole
[gmx-users] problem with g_rmsf X.Periole
[gmx-users] molecules blowing up X.Periole
[gmx-users] Extra paramter to watch for mutants activity in MD run X.Periole
[gmx-users] converting pdb to gmx successfully - how? Yang Ye
[gmx-users] RNA compatiable FF in GROMACS3.3 Yang Ye
[gmx-users] RNA compatiable FF in GROMACS3.3 Yang Ye
[gmx-users] extending parallel simulations with grompp? Yang Ye
[gmx-users] Multiple chains, cofactors and ligands Yang Ye
[gmx-users] Multiple chains, cofactors and ligands--ffgmx unreliable? Yang Ye
[gmx-users] problem in average energy Yang Ye
[gmx-users] Calculateing LJ and electrostatic energies Yang Ye
[gmx-users] RMSD of extended md Yang Ye
[gmx-users] Re: converting pdb to gmx successfully Yang Ye
[gmx-users] constraints and restraints Yang Ye
[gmx-users] box size and pbc Yang Ye
[gmx-users] opls error Yang Ye
[gmx-users] pressure coupling and running MD Yang Ye
[gmx-users] restart Yang Ye
[gmx-users] harmonic potential on the distance between two atoms Yang Ye
[gmx-users] Fatal error: Atomtype 'CT' not found! Yang Ye
[gmx-users] questions related to genpairs=no Yang Ye
[gmx-users] questions related to genpairs=no Yang Ye
[gmx-users] how can I get a topology? Yang Ye
[gmx-users] is there any reasonable way to produce a custom topology? Yang Ye
[gmx-users] grompp_d precision Yang Ye
[gmx-users] Plz. Unsubscribe me Yang Ye
[gmx-users] Influence from images (PBC) Yinghong
[gmx-users] About topology protein? Absalom Zamorano
[gmx-users] dPCA analysis Dongsheng Zhang
[gmx-users] dPCA analysis Dongsheng Zhang
[gmx-users] Re: dPCA analysis Dongsheng Zhang
[gmx-users] Re: dPCA analysis Dongsheng Zhang
[gmx-users] grompp -check14 Dongsheng Zhang
[gmx-users] g_covar Dongsheng Zhang
[gmx-users] questions related to genpairs=no Wusheng Zhu
[gmx-users] box size and pbc Wang Zhun
[gmx-users] minimum periodic distance Wang Zhun
[gmx-users] problem in average energy bharat v. adkar
[gmx-users] question about exploding shensui830720 at aim.com
[gmx-users] mix solvent davood ajloo
[gmx-users] Gromacs compiled with mopac asg2000
[gmx-users] QMMM_mopac asg2000
[gmx-users] Time Step asg2000
[gmx-users] xtc error? paloureiro at biof.ufrj.br
[gmx-users] still Netiquette on the gromacs user list paloureiro at biof.ufrj.br
[gmx-users] pressure scaling and hard drive space paloureiro at biof.ufrj.br
[gmx-users] LINCS warning in Position Restraint pandey at bioinfo.ernet.in
[gmx-users] h-angle and all-bonds constraints gil claudio
[gmx-users] RE: FFGMX Junfang.Zhang at csiro.au
[gmx-users] RMSD/Points on different curves Junfang.Zhang at csiro.au
[gmx-users] RMSD/Points on different curves Junfang.Zhang at csiro.au
[gmx-users] Vacuum Minimization Problem enklnils at fh-bingen.de
[gmx-users] force field reliability mprabha at fiu.edu
[gmx-users] extending parallel simulations with grompp? wnoid at hec.utah.edu
[gmx-users] restart wnoid at hec.utah.edu
[gmx-users] restart wnoid at hec.utah.edu
[gmx-users] Re: Energy conservation of rigid water models wnoid at hec.utah.edu
[gmx-users] restart again wnoid at hec.utah.edu
[gmx-users] Calculateing LJ and electrostatic energies hnam
[gmx-users] Cys protonation state-Zn modeling hnam
[gmx-users] cosine content jean-francois.gibrat
[gmx-users] Re: gmx-users Digest, Vol 22, Issue 91 linfu
[gmx-users] pressure coupling ninoo mani
[gmx-users] pressure coupling and running MD ninoo mani
[gmx-users] Unsubscrib from users-list ysun at mie.utoronto.ca
[gmx-users] problem creating .rtp file csilva at qui.uc.pt
[gmx-users] RNA compatiable FF in GROMACS3.3 raja
[gmx-users] RNA compatiable FF in GROMACS3.3 raja
[gmx-users] RNA compatiable FF in GROMACS3.3 raja
[gmx-users] Error in compiling GROMACS3.2.1 raja
[gmx-users] Error in compiling GROMACS3.2.1 raja
[gmx-users] Simulating a peptide raja
[gmx-users] DNA Simulation raja
[gmx-users] Extra paramter to watch for mutants activity in MD run raja
[gmx-users] RNA gro to pdbqs raja
[gmx-users] Some parameters in the mdp file qiwenpeng at sinap.ac.cn
[gmx-users] Some parameters in the mdp file qiwenpeng at sinap.ac.cn
[gmx-users] Some parameters in the mdp file qiwenpeng at sinap.ac.cn
[gmx-users] Plz. Unsubscribe me shailza singh
[gmx-users] Re: gmx-users Digest, Vol 22, Issue 51 jaimohan sm
[gmx-users] Simulation Techniques***Energy minimisation for Small Molecules. jaimohan sm
[gmx-users] Energy conservation of rigid water models milton sonoda
[gmx-users] Re: Re: Energy conservation of rigid water models milton sonoda
[gmx-users] isoaspartic acid andrea spitaleri
[gmx-users] DNA Simulation ramadugu at sscu.iisc.ernet.in
[gmx-users] Group not found in indexfile fsaadedi at staffmail.ed.ac.uk
[gmx-users] dssp program taveechai taveecharoenkool
[gmx-users] SGI installation problem: forcing the compilation with gcc dastmalchi.s at tbzmed.ac.ir
[gmx-users] SGI installation problem: forcing the compilation with gcc dastmalchi.s at tbzmed.ac.ir
[gmx-users] "B" state for free energy corrupts minimization? mernst at tricity.wsu.edu
[gmx-users] "B" state for free energy corrupts minimization? mernst at tricity.wsu.edu
[gmx-users] "B" state for free energy corrupts minimization? mernst at tricity.wsu.edu
[gmx-users] spurious dihedral warnings mernst at tricity.wsu.edu
[gmx-users] dummy atoms for amber free energy mernst at tricity.wsu.edu
[gmx-users] NMA problem (again and again!) fabrizio.mancinelli at unina2.it
[gmx-users] umbrella sampling vincenzo venditti
[gmx-users] g_dih vincenzo venditti
[gmx-users] petrucci86 at vip.sina.com
[gmx-users] a question about gmx3.3 replica exchange petrucci86 at vip.sina.com
[gmx-users] RMSD of extended md luigi.burgi at virgilio.it
[gmx-users] harmonic potential on the distance between two atoms wang xiaoling
[gmx-users] Simulation problem stranger at xter.net
[gmx-users] Gromacs-3.14 supports x86-64 CPU ? leafyoung81-group at yahoo.com
[gmx-users] checking oplsaa parameters in the .top file rob yang
[gmx-users] double precision minimization with version 3.3 xu yechun
[gmx-users] Gromacs-3.14 supports x86-64 CPU ? yngwie
[gmx-users] how can I get a topology? 日産化学　石川誠

Last message date: Tue Feb 28 23:37:51 CET 2006
Archived on: Thu Nov 14 12:02:41 CET 2013

Messages sorted by: [ thread ] [ subject ] [ date ]
More info on this list...

This archive was generated by Pipermail 0.09 (Mailman edition).