July 2004 Archives by author

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Starting: Thu Jul 1 04:39:28 CEST 2004
Ending: Sat Jul 31 11:15:44 CEST 2004
Messages: 489

[gmx-users] g_rama Fatal error & Ace group (again) Jake .
[gmx-users] CRY-ED question Daan van Aalten
[gmx-users] selecting part of a trajectory Bamidele Adisa
[gmx-users] getting problem in some of the commonds Alok
[gmx-users] Compiling on Opteron Amil Anderson
[gmx-users] postdoctorals Arturas
[gmx-users] Re: reducing vdw radii Kia Balali-Mood
[gmx-users] Bugs in calculation of virial Vincent Ballenegger
[gmx-users] virial and external potential Vincent Ballenegger
[gmx-users] cannot compile parallel version Oliver Beckstein
[gmx-users] cannot compile parallel version Oliver Beckstein
[gmx-users] lam-mpi question Oliver Beckstein
[gmx-users] neutral LYS (NH2) Oliver Beckstein
[gmx-users] Solvation causes failure of GROMPP preprocessing for Conjugate Gradients minimization? Mark Berjanskii
[gmx-users] Solvation causes failure of GROMPP preprocessing for Conjugate Gradients minimization? Mark Berjanskii
[gmx-users] Solvation causes failure of GROMPP preprocessing for Conjugate Gradients minimization? Mark Berjanskii
[gmx-users] Different sets of residues for ensemble fitting and RMSF calculation Mark Berjanskii
[gmx-users] postdoctorals Mark Berjanskii
[gmx-users] pdb2gmx -ter Rainer Boeckmann
[gmx-users] eneconv error Rainer Boeckmann
[gmx-users] eneconv error Rainer Boeckmann
[gmx-users] topology problems Marc Bruning
[gmx-users] topology problems Marc Bruning
[gmx-users] g_sas, VdW radii Michael Brunsteiner
[gmx-users] long range interactions depend on bonds ? Michael Brunsteiner
[gmx-users] Re: [gmx-developers] Re: long range interactions depend on bonds ? Michael Brunsteiner
[gmx-users] calculate rotation between monomers Ruben M Buey
[gmx-users] CRY-ED question Ruben Martinez Buey
[gmx-users] pdb2gmx -ter Raghunadha Reddy Burri
[gmx-users] Hbonds Raghunadha Reddy Burri
[gmx-users] Center Raghunadha Reddy Burri
[gmx-users] PBC problem Andrea Carotti
[gmx-users] PBC problem Andrea Carotti
[gmx-users] PBC problem Andrea Carotti
[gmx-users] PBC problem Andrea Carotti
[gmx-users] PBC problem Andrea Carotti
[gmx-users] Re: Parallel run on Gromacs ... Andrea Carotti
[gmx-users] Is the AMBER or CHARMM Force field running in GROMACS Michel Cuendet
[gmx-users] strict-aliasing warning Michel Cuendet
[gmx-users] Duron Benchmark DV
[gmx-users] ngmx 'command not found' Marc Daley
[gmx-users] ngmx 'command not found' Marc Daley
[gmx-users] Long range dispersion correction David
[gmx-users] pbc David
[gmx-users] mean life time David
[gmx-users] 2-Dimensional simulation by Gromacs David
[gmx-users] RE: Benzene again2 David
[gmx-users] residue database David
[gmx-users] Distance computation using g_mindist David
[gmx-users] Distance computation using g_mindist David
[gmx-users] viscosity David
[gmx-users] gen_seed David
[gmx-users] Sample Molecules Containing Silicon David
[gmx-users] how to continue simulation? David
[gmx-users] cannot compile parallel version David
[gmx-users] g_sas, VdW radii David
[gmx-users] Help ! Some molecules go away from my bilayer..... David
[gmx-users] Linux binaries David
[gmx-users] cannot compile parallel version David
[gmx-users] cannot compile parallel version David
[gmx-users] cannot compile parallel version David
[gmx-users] Re: about PLP cofactor David
[gmx-users] cannot compile parallel version David
[gmx-users] cannot compile David
[gmx-users] SS bridges David
[gmx-users] Protonation states for TYR,CYS,ARG David
[gmx-users] Pressure Calculation David
[gmx-users] Pressure Calculation David
[gmx-users] Grompp problem? David
[gmx-users] Solvation causes failure of GROMPP preprocessing for Conjugate Gradients minimization? David
[gmx-users] pdb2gmx Problems David
[gmx-users] ligand drifting David
[gmx-users] pdb2gmx Problems David
[gmx-users] pdb2gmx Problems David
[gmx-users] pdb David
[gmx-users] mdrun stopped undeservedly David
[gmx-users] center of mass [question] David
[gmx-users] freezing atom group speed up issue David
[gmx-users] PRODRG vs PDB2GMX output generated David
[gmx-users] The meaning of rlist, rvdm and rcolumn Li Dawei
[gmx-users] The meaning of rlist, rvdm and rcolumn Li Dawei
[gmx-users] The meaning of rlist, rvdm and rcolumn Li Dawei
[gmx-users] The meaning of rlist, rvdm and rcolumn Li Dawei
[gmx-users] The meaning of rlist, rvdm and rcolumn Li Dawei
[gmx-users] RE: Benzene again2 nicolas Dinter
[gmx-users] Constraint algorithm error nicolas Dinter
[gmx-users] Constraint algorithm error nicolas Dinter
[gmx-users] Constraint algorithm error nicolas Dinter
[gmx-users] Long range energy nicolas Dinter
[gmx-users] Long range energy nicolas Dinter
[gmx-users] nonbonded parameters Carlos Emidio
[gmx-users] Defaults in lipid.itp - please help! Semen Esilevsky
[gmx-users] Defaults in lipid.itp - please help! Semen Esilevsky
[gmx-users] Defaults in lipid.itp - please help! Semen Esilevsky
[gmx-users] Defaults in lipid.itp - please help! Semen Esilevsky
[gmx-users] Defaults in lipid.itp - please help! Semen Esilevsky
[gmx-users] Defaults in lipid.itp - please help! Semen Esilevsky
[gmx-users] Defaults in lipid.itp - please help! Semen Esilevsky
[gmx-users] simulation with cofactor Semen Esilevsky
[gmx-users] Membrane issues Semen Esilevsky
[gmx-users] Everything you wanted to know... Anton Feenstra
[gmx-users] molecular dynamics problems Anton Feenstra
[gmx-users] Energy drift problem Anton Feenstra
[gmx-users] error 1-4 interaction Anton Feenstra
[gmx-users] Energy drift problem Anton Feenstra
[gmx-users] Constraint algorithm error Anton Feenstra
[gmx-users] rhombic dodecahedron - box vectors Anton Feenstra
[gmx-users] Center Anton Feenstra
[gmx-users] Is it possible to fix one cell length in pressure-coupling Anton Feenstra
[gmx-users] Constraint algorithm error Anton Feenstra
[gmx-users] atoms Anton Feenstra
[gmx-users] Problem with CG in double precision Anton Feenstra
[gmx-users] how to calculate water residence time? Anton Feenstra
[gmx-users] Potential energy of the prot. only Anton Feenstra
[gmx-users] Constraint algorithm error Anton Feenstra
[gmx-users] problem in protein - cofactor linkage Anton Feenstra
[gmx-users] The meaning of rlist, rvdm and rcolumn Anton Feenstra
[gmx-users] SUSPICIOUS: Pressure scaling ... Anton Feenstra
[gmx-users] problem with -multi Anton Feenstra
[gmx-users] The meaning of rlist, rvdm and rcolumn Anton Feenstra
[gmx-users] The meaning of rlist, rvdm and rcolumn Anton Feenstra
[gmx-users] problem with -multi Anton Feenstra
[gmx-users] multiple backups Anton Feenstra
[gmx-users] CRY-ED question Anton Feenstra
[gmx-users] Timers used in Gromacs and accuracy? Anton Feenstra
[gmx-users] multiple backups Anton Feenstra
[gmx-users] How to get one T coupling for a multi component systems ? Anton Feenstra
[gmx-users] The meaning of rlist, rvdm and rcolumn Anton Feenstra
[gmx-users] atoms Anton Feenstra
[gmx-users] topology problems Anton Feenstra
[gmx-users] ngmx 'command not found' Anton Feenstra
[gmx-users] ngmx 'command not found' Anton Feenstra
[gmx-users] g_cluster: fit & rmsd groups Nuno R. L. Ferreira
[gmx-users] g_cluster: fit & rmsd groups Nuno R. L. Ferreira
[gmx-users] output unimaged trajectory? Nuno R. L. Ferreira
[gmx-users] output unimaged trajectory? Nuno R. L. Ferreira
[gmx-users] ligand drifting Nuno R. L. Ferreira
[gmx-users] em.mdp Nuno R. L. Ferreira
[gmx-users] output unimaged trajectory? Nuno R. L. Ferreira
[gmx-users] PRODRG2 output-why only polar hydrogens? Nuno R. L. Ferreira
[gmx-users] (no subject) Nuno R. L. Ferreira
[gmx-users] eneconv error Nuno R. L. Ferreira
[gmx-users] eneconv error Nuno R. L. Ferreira
[gmx-users] rhombic dodecahedron - box vectors Nuno R. L. Ferreira
[gmx-users] Alinging beta sheets Nuno R. L. Ferreira
[gmx-users] Center Nuno R. L. Ferreira
[gmx-users] Protein jumping out of box Nuno R. L. Ferreira
[gmx-users] Protein jumping out of box Nuno R. L. Ferreira
[gmx-users] Fw: Can you help me ? Nuno R. L. Ferreira
[gmx-users] QM/MM code? Ran Friedman
[gmx-users] Help!: Some molecules go away from my bilayer....... Sergio Garay
[gmx-users] Help!: Some molecules go away from my bilayer....... Sergio Garay
[gmx-users] Help!: Some molecules go away from my bilayer....... Sergio Garay
[gmx-users] Re: Help ! Some molecules go away from my bilayer..... (stearic acid data) Sergio Garay
[gmx-users] pdb2gmx Problems Gary
[gmx-users] pdb2gmx Problems Gary
[gmx-users] PRODRG vs PDB2GMX output generated Gary
[gmx-users] pdb2gmx omit residue Gary
[gmx-users] Genbox & Topologies Gary
[gmx-users] copyright question Andrey V Golovin
[gmx-users] Running GROMACS with DNA Andrey V Golovin
[gmx-users] copyright question Andrey V Golovin
[gmx-users] multiple backups Andrey V Golovin
[gmx-users] A problem about H-bonds Andrey V Golovin
[gmx-users] Fw: Can you help me ? Andrey V Golovin
[gmx-users] Add new topologies - article ( Arlan ) Arlan Goncalves
[gmx-users] Re:How I can create a gromacs input file from a gamess output Arlan Gonçalves
[gmx-users] how to continue simulation? Kay Gottschalk
[gmx-users] Grompp problem? Kay Gottschalk
[gmx-users] trjconv Kay Gottschalk
[gmx-users] trjconv Kay Gottschalk
[gmx-users] trjconv Kay Gottschalk
[gmx-users] continue run on different platform Kay Gottschalk
[gmx-users] pull code Kay Gottschalk
[gmx-users] phosphorylated Asp Kay Gottschalk
[gmx-users] QM/MM code? Gerrit Groenhof
[gmx-users] NM and energy minimization Bert de Groot
[gmx-users] error Bert de Groot
[gmx-users] CRY-ED question Bert de Groot
[gmx-users] multiple backups Bert de Groot
[gmx-users] concoord problem Bert de Groot
[gmx-users] CRY-ED question Bert de Groot
[gmx-users] neutral LYS (NH2) Haberl
[gmx-users] neutral LYS (NH2) Haberl
[gmx-users] Membrane issues Haerterich, Steffen
[gmx-users] atom type error Haerterich, Steffen
[gmx-users] how can I set the value of bd-fric Hanming
[gmx-users] Why the carbons in the benzene can not keep in the plane when i do the bd? Hanming
[gmx-users] What is the meaning of the sentence in my md.log file? Hanming
[gmx-users] number of frames in trajectory Berk Hess
[gmx-users] Defaults in lipid.itp - please help! Berk Hess
[gmx-users] how to continue simulation? Berk Hess
[gmx-users] long range interactions depend on bonds ? Berk Hess
[gmx-users] PBC problem Berk Hess
[gmx-users] Re: [gmx-developers] Re: long range interactions dependon bonds Berk Hess
[gmx-users] how to do force analysis using trajectory file? Berk Hess
[gmx-users] parallel computations Berk Hess
[gmx-users] how can I set the value of bd-fric Berk Hess
[gmx-users] output unimaged trajectory? Berk Hess
[gmx-users] output unimaged trajectory? Berk Hess
[gmx-users] Why the carbons in the benzene can not keep in theplane when i d Berk Hess
[gmx-users] Another boring imaging question Berk Hess
[gmx-users] Is the AMBER or CHARMM Force field running in GROMACS Berk Hess
[gmx-users] Is the AMBER or CHARMM Force field running in GROMACS Berk Hess
[gmx-users] Is the AMBER or CHARMM Force field running in GROMACS Berk Hess
[gmx-users] What is the meaning of the sentence in my md.log file? Berk Hess
[gmx-users] pull code Berk Hess
[gmx-users] continue run on different platform Berk Hess
[gmx-users] Output of mpi gromacs Berk Hess
[gmx-users] (no subject) Berk Hess
[gmx-users] Bugs in calculation of virial Berk Hess
[gmx-users] simulating in double precision but writing in singleprecision Berk Hess
[gmx-users] virial and external potential Berk Hess
[gmx-users] problem with -multi Berk Hess
[gmx-users] multiple backups Berk Hess
[gmx-users] multiple backups Berk Hess
[gmx-users] The meaning of rlist, rvdm and rcolumn Berk Hess
[gmx-users] eneconv error Berk Hess
[gmx-users] Long range energy Berk Hess
[gmx-users] Long range energy Berk Hess
[gmx-users] Re: Compiling Gromacs 3.2.1 on IBM p690+ Power4 Berk Hess
[gmx-users] order parameter Carl-Johan Högberg
[gmx-users] order parameter Carl-Johan Högberg
[gmx-users] gromacs double precision installation Pankaj Kumar JRF
[gmx-users] (no subject) A. A. Jeyaprakash
[gmx-users] ligand drifting A. A. Jeyaprakash
[gmx-users] PRODRG2 output-why only polar hydrogens? A. A. Jeyaprakash
[gmx-users] set maximum CPU running time F Jiang
[gmx-users] About LJ parameters: sigma/epsilon vs. c6/c12 Daejoong Kim
[gmx-users] (no subject) Daejoong Kim
[gmx-users] alter the box Dmitry Kovalsky
[gmx-users] SS bridges Dmitry Kovalsky
[gmx-users] SS bridges Dmitry Kovalsky
[gmx-users] Defaults in lipid.itp - please help! Andreas Kukol
[gmx-users] Defaults in lipid.itp - please help! Andreas Kukol
[gmx-users] Simulation Box Hadas Lapid
[gmx-users] pdb2gmx omit residue Derrick Guang Yuh Lee
[gmx-users] DNA on GROMACS? Hwankyu Lee
[gmx-users] freezing atoms does not speed up calculation Sung-Joo Lee
[gmx-users] PS. freeze group speed up Sung-Joo Lee
[gmx-users] freezing atom group speed up issue Sung-Joo Lee
[gmx-users] How I can create a gromacs input file from a gamess output Marcelo de Freitas Lima
[gmx-users] How I can create a gromacs input file from a gamess output (one more question) Marcelo de Freitas Lima
[gmx-users] NVE discussion again Linda
[gmx-users] how to calculate water residence time? Linda
[gmx-users] Possible problem in trxio.c Erik Lindahl
[gmx-users] number of frames in trajectory Erik Lindahl
[gmx-users] how to continue simulation? Erik Lindahl
[gmx-users] simulation failure Erik Lindahl
[gmx-users] gromacs double precision installation Paul van Maaren
[gmx-users] diffusion constant of protein. Coincon Mathieu
[gmx-users] Defaults in lipid.itp - please help! Milan Melichercik
[gmx-users] Defaults in lipid.itp - please help! Milan Melichercik
[gmx-users] Defaults in lipid.itp - please help! Milan Melichercik
[gmx-users] Defaults in lipid.itp - please help! Milan Melichercik
[gmx-users] pdb2gmx -ter Milan Melichercik
[gmx-users] Implicit solvent model Arpita Mitra
[gmx-users] em.mdp Luca Mollica
[gmx-users] Pressure Calculation Farshid Mostowfi
[gmx-users] Pressure Calculation Farshid Mostowfi
[gmx-users] cannot compile parallel version Andre Farias de Moura
[gmx-users] cannot compile parallel version Andre Farias de Moura
[gmx-users] cannot compile parallel version Andre Farias de Moura
[gmx-users] cannot compile parallel version Andre Farias de Moura
[gmx-users] cannot compile parallel version Andre Farias de Moura
[gmx-users] compiling paralel version Andre Farias de Moura
[gmx-users] eneconv error Andre Farias de Moura
[gmx-users] eneconv error Andre Farias de Moura
[gmx-users] compiling paralel version Andrei Neamtu
[gmx-users] Sample Molecules Containing Silicon Gromacs Newbie
[gmx-users] Sample Molecules Containing Silicon Gromacs Newbie
[gmx-users] pdb2gmx Problems Gromacs Newbie
[gmx-users] pdb2gmx Problems Gromacs Newbie
[gmx-users] PDB2GMX Not Using .itp File Gromacs Newbie
[gmx-users] mpiexec.. Sekwan Oh
[gmx-users] Re: Compiling Gromacs 3.2.1 on IBM p690+ Power4 Sekwan Oh
[gmx-users] whole/center/inbox Bruno Pagano
[gmx-users] pbc Bruno Pagano
[gmx-users] box type Choon Peng
[gmx-users] Crystallographic waters for TIP4P Choon Peng
[gmx-users] gromacs double precision installation Choon Peng
[gmx-users] protein-lipid order Xavier Periole
[gmx-users] residue database Xavier Periole
[gmx-users] PBC problem Xavier Periole
[gmx-users] PBC problem Xavier Periole
[gmx-users] SS bridges Xavier Periole
[gmx-users] pdb Xavier Periole
[gmx-users] genconf Xavier Periole
[gmx-users] genconf Xavier Periole
[gmx-users] Output of mpi gromacs Xavier Periole
[gmx-users] extend MD runs Xavier Periole
[gmx-users] selecting part of a trajectory Xavier Periole
[gmx-users] molecular dynamics problems Xavier Periole
[gmx-users] molecular dynamics problems Xavier Periole
[gmx-users] error Xavier Periole
[gmx-users] error Xavier Periole
[gmx-users] Different sets of residues for ensemble fitting and RMSF calculation Xavier Periole
[gmx-users] Linux binaries Amy Petrik
[gmx-users] Grompp problem? Amy Petrik
[gmx-users] Grompp problem? Amy Petrik
[gmx-users] Output of mpi gromacs Nguyen Hoang Phuong
[gmx-users] problem with -multi Nguyen Hoang Phuong
[gmx-users] problem with -multi Nguyen Hoang Phuong
[gmx-users] multiple backups Nguyen Hoang Phuong
[gmx-users] multiple backups Nguyen Hoang Phuong
[gmx-users] residue database Dinesh Pinisetty
[gmx-users] residue Dinesh Pinisetty
[gmx-users] residue database Dinesh Pinisetty
[gmx-users] pdb Dinesh Pinisetty
[gmx-users] pdb2gmx omit residue Dinesh Pinisetty
[gmx-users] atom type error Dinesh Pinisetty
[gmx-users] atom type error Dinesh Pinisetty
[gmx-users] genconf Dinesh Pinisetty
[gmx-users] genconf Dinesh Pinisetty
[gmx-users] forcefield Dinesh Pinisetty
[gmx-users] error Dinesh Pinisetty
[gmx-users] error Dinesh Pinisetty
[gmx-users] forcefield Dinesh Pinisetty
[gmx-users] atoms Dinesh Pinisetty
[gmx-users] atom types Dinesh Pinisetty
[gmx-users] error Dinesh Pinisetty
[gmx-users] atoms Dinesh Pinisetty
[gmx-users] atom types Dinesh Pinisetty
[gmx-users] Alinging beta sheets Gaurav Porwal
[gmx-users] how to continue simulation? Rui Qiao
[gmx-users] how to do force analysis using trajectory file? Rui Qiao
[gmx-users] double bonds Aina Quintilla
[gmx-users] simulated annealing Sekar Ramachandran
[gmx-users] Career prospects Vivek Raut
[gmx-users] (no subject) SLN Prasad Reddy
[gmx-users] Timers used in Gromacs and accuracy? Fiona Reid
[gmx-users] Compiling Gromacs 3.2.1 on IBM p690+ Power4 Fiona Reid
[gmx-users] reducing vdw radii Uwe Richter
[gmx-users] OPLS lipids? Jee E Rim
[gmx-users] 1-4 Coulomb interaction Jee E Rim
[gmx-users] Re: how to do force analysis using trajectory file? Pim Schravendijk
[gmx-users] Re: how to do force analysis using trajectory file? Pim Schravendijk
[gmx-users] Compiling on Opteron Pim Schravendijk
[gmx-users] Compiling on power4, still struggling Pim Schravendijk
[gmx-users] Re: Compiling Gromacs 3.2.1 on IBM p690+ Power4 Pim Schravendijk
[gmx-users] methanol parameters Gunnar Schroeder
[gmx-users] protein-lipid order John Simms
[gmx-users] NM and energy minimization John Simms
[gmx-users] concoord problem John Simms
[gmx-users] membrane mimetics John Simms
[gmx-users] mixed solvent density John Simms
[gmx-users] Electrostatic potential of NaCl on DPPC system Yuhua Song
[gmx-users] genconf or way to duplicate trajectory? Yuhua Song
[gmx-users] unsymmetric profile for electrostatic potential with g_potential Yuhua Song
[gmx-users] question about g_rdf Yuhua Song
[gmx-users] simulating in double precision but writing in single precision Milton Taidi Sonoda
[gmx-users] electrostatic potencial on site position Milton Taidi Sonoda
[gmx-users] Re: How I can create a gromacs input file from a gamess output Ing. Vojtech Spiwok
[gmx-users] Re: How I can create a gromacs input file from a gamess output (one more question) Ing. Vojtech Spiwok
[gmx-users] Re: size of the molecule Ing. Vojtech Spiwok
[gmx-users] Possible problem in trxio.c David van der Spoel
[gmx-users] Long range dispersion correction David van der Spoel
[gmx-users] Long range dispersion correction David van der Spoel
[gmx-users] g_cluster: fit & rmsd groups David van der Spoel
[gmx-users] alter the box David van der Spoel
[gmx-users] Problem in Invaccum MD David van der Spoel
[gmx-users] reducing vdw radii David van der Spoel
[gmx-users] spc water questions David van der Spoel
[gmx-users] Re: reducing vdw radii David van der Spoel
[gmx-users] [Fwd: Regd vaccum forcefield.] David van der Spoel
[gmx-users] pressure coupling problem David van der Spoel
[gmx-users] when grompp and mdrun disagree about processor numbers David van der Spoel
[gmx-users] simulation failure David van der Spoel
[gmx-users] PBC problem David van der Spoel
[gmx-users] how to do force analysis using trajectory file? David van der Spoel
[gmx-users] parallel computations David van der Spoel
[gmx-users] output unimaged trajectory? David van der Spoel
[gmx-users] trjconv David van der Spoel
[gmx-users] Grompp problem? David van der Spoel
[gmx-users] Hbonds David van der Spoel
[gmx-users] geometry is rigid, but angle energy changes Oleg V. Stroganov
[gmx-users] announcing normal mode analysis web server ElNemo Karsten Suhre
[gmx-users] Protonation states for TYR,CYS,ARG Kamil Tamiola
[gmx-users] Number of atoms limitation Tandia, Adama
[gmx-users] RE: Number of atoms limitation Tandia, Adama
[gmx-users] Output of mpi gromacs Tandia, Adama
[gmx-users] Re: Parallel run on Gromacs ... Tandia, Adama
[gmx-users] Force Fields for IONS Tandia, Adama
[gmx-users] SUSPICIOUS: Pressure scaling ... Tandia, Adama
[gmx-users] How to get one T coupling for a multi component systems ? Tandia, Adama
[gmx-users] QM/MM code? Sishi Tang
[gmx-users] Water molecule can't be settled Tanos
[gmx-users] Water molecule can't be settled Christopher Tran
[gmx-users] How I can create a gromacs input file from a gamess output (one more question) Christopher Tran
[gmx-users] atom type error Christopher Tran
[gmx-users] center of mass [question] Sergio Modesto Vechi
[gmx-users] Re: nonbonded parameter Alessandra Villa
[gmx-users] ngmx 'command not found' Marc Vogt
[gmx-users] how to continue simulation? Dallas Warren
[gmx-users] Problem in Invaccum MD Dallas Warren
[gmx-users] How I can create a gromacs input file from a gamess output Dallas Warren
[gmx-users] pdb2gmx Problems Dallas Warren
[gmx-users] Genbox & Topologies Dallas Warren
[gmx-users] double bonds Dallas Warren
[gmx-users] calculate rotation between monomers Dallas Warren
[gmx-users] question about g_sas Dallas Warren
[gmx-users] atom types Dallas Warren
[gmx-users] error Dallas Warren
[gmx-users] atom types Dallas Warren
[gmx-users] Simulation Box Tsjerk Wassenaar
[gmx-users] A question about Periodic boundary condition Tsjerk Wassenaar
[gmx-users] Re:A question about Periodic boundary condition Tsjerk Wassenaar
[gmx-users] error 1-4 interaction Maarten Wolf
[gmx-users] Re Re: Error 1-4 interaction Maarten Wolf
[gmx-users] problem with MD and docking Maximiliano Figueroa Y
[gmx-users] whole/center/inbox Yiannis
[gmx-users] Long range dispersion correction Yiannis
[gmx-users] trjconv Peter Zoon
[gmx-users] Possible problem in trxio.c Pierfrancesco Zuccato
[gmx-users] Possible problem in trxio.c Pierfrancesco Zuccato
[gmx-users] Possible problem in trxio.c Pierfrancesco Zuccato
[gmx-users] Compiling on Opteron Pierfrancesco Zuccato
[gmx-users] when grompp and mdrun disagree about processor numbers fabio affinito
[gmx-users] parallel computations fabio affinito
[gmx-users] parallel computations fabio affinito
[gmx-users] neutral LYS (NH2) mauricio arenas
[gmx-users] neutral LYS (NH2) mauricio arenas
[gmx-users] abnormal termination while mdrun_mpi pandey at bioinfo.ernet.in
[gmx-users] (no subject) anwar at cdfd.org.in
[gmx-users] Stuck at Invaccum MD anwar at cdfd.org.in
[gmx-users] Problem in Invaccum MD anwar at cdfd.org.in
[gmx-users] Problem with CG in double precision anwar at cdfd.org.in
[gmx-users] Re: gmx-users Digest, Vol 3, Issue 63 anwar at cdfd.org.in
[gmx-users] problem in simulation with PLP cofactor pankaj at cdfd.org.in
[gmx-users] simulation with cofactor pankaj at cdfd.org.in
[gmx-users] Re: about PLP cofactor pankaj at cdfd.org.in
[gmx-users] problem in protein - cofactor linkage pankaj at cdfd.org.in
[gmx-users] Distance computation using g_mindist sunita at chem.iitb.ac.in
[gmx-users] Potential energy of the prot. only pascal.baillod at epfl.ch
[gmx-users] Help ! Some molecules go away from my bilayer..... sgaray at fbcb.unl.edu.ar
[gmx-users] simulation failure herbst at fhi-berlin.mpg.de
[gmx-users] simulation failure herbst at fhi-berlin.mpg.de
[gmx-users] simulation failure herbst at fhi-berlin.mpg.de
[gmx-users] Protein jumping out of box herbst at fhi-berlin.mpg.de
[gmx-users] grompp problem with cpp -- 'does not match topology' yli at hcg.bmb.uga.edu
[gmx-users] lam-mpi question aneamtu at iasi.mednet.ro
[gmx-users] Energy drift problem xzp02 at mails.tsinghua.edu.cn
[gmx-users] Energy drift problem xzp02 at mails.tsinghua.edu.cn
[gmx-users] Is it possible to fix one cell length in pressure-coupling xzp02 at mails.tsinghua.edu.cn
[gmx-users] On isotropic pressure coupling xzp02 at mails.tsinghua.edu.cn
[gmx-users] 2-Dimensional simulation by Gromacs ysun at mie.utoronto.ca
[gmx-users] question about g_sas neda mirsamadi
[gmx-users] molecular dynamics problems vlad.chindea at pharmatech.ro
[gmx-users] molecular dynamics problems vlad.chindea at pharmatech.ro
[gmx-users] molecular dynamics problems vlad.chindea at pharmatech.ro
[gmx-users] gen_seed prasad
[gmx-users] extend MD runs deepa rajamani
[gmx-users] box type sadhna
[gmx-users] Is the AMBER or CHARMM Force field running in GROMACS p.keymer at student.qut.edu.au
[gmx-users] Running GROMACS with DNA p.keymer at student.qut.edu.au
[gmx-users] cannot compile tenghl
[gmx-users] cannot compile tenghl
[gmx-users] A question about Periodic boundary condition tenghl
[gmx-users] Re:A question about Periodic boundary condition tenghl
[gmx-users] A problem about H-bonds tenghl
[gmx-users] electrostatic potencial on site position varma1 at uiuc.edu
[gmx-users] Long range dispersion correction david.evans at ulsop.ac.uk
[gmx-users] Long range dispersion correction david.evans at ulsop.ac.uk
[gmx-users] Long range dispersion correction david.evans at ulsop.ac.uk
[gmx-users] Long range dispersion correction david.evans at ulsop.ac.uk
[gmx-users] output unimaged trajectory? david.evans at ulsop.ac.uk
[gmx-users] output unimaged trajectory? david.evans at ulsop.ac.uk
[gmx-users] output unimaged trajectory? david.evans at ulsop.ac.uk
[gmx-users] output unimaged trajectory? david.evans at ulsop.ac.uk
[gmx-users] Another boring imaging question david.evans at ulsop.ac.uk
[gmx-users] trjconv david.evans at ulsop.ac.uk
[gmx-users] Is the AMBER or CHARMM Force field running in GROMACS david.evans at ulsop.ac.uk
[gmx-users] Is the AMBER or CHARMM Force field running in GROMACS david.evans at ulsop.ac.uk
[gmx-users] Is the AMBER or CHARMM Force field running in GROMACS david.evans at ulsop.ac.uk
[gmx-users] em.mdp juraina at um.edu.my
[gmx-users] troubles with zinc ion and distance restraint elena.papaleo at unimib.it
[gmx-users] Force-Field-Request acorrea at unisa.it
[gmx-users] IMPLICIT SOLVENT-help acorrea at unisa.it
[gmx-users] mean life time parinald at unsl.edu.ar
[gmx-users] viscosity parinald at unsl.edu.ar
[gmx-users] entropy parinald at unsl.edu.ar
[gmx-users] pressure coupling problem raj vel
[gmx-users] size of the molecule raj vel
[gmx-users] mdrun stopped undeservedly yinjun
[gmx-users] ref_t in .mdp yinjun
[gmx-users] (no subject) yinjun
[gmx-users] spc water questions コウチ
[gmx-users] segmentation error コウチ
[gmx-users] segmentation error コウチ

Last message date: Sat Jul 31 11:15:44 CEST 2004
Archived on: Thu Nov 14 12:00:56 CET 2013

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