March 2008 Archives by date

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

Starting: Sat Mar 1 01:18:46 CET 2008
Ending: Mon Mar 31 23:53:55 CEST 2008
Messages: 563

[gmx-users] Gromacs force field discussion Reay, Andrew
[gmx-users] peoblem with water sudheer babu
[gmx-users] peoblem with water Mark Abraham
[gmx-users] Gromacs force field discussion David van der Spoel
[gmx-users] procedure for creating an S-S bridge OZGE ENGIN
[gmx-users] procedure for creating an S-S bridge Mark Abraham
[gmx-users] constraints & cg V. Tanchuk
[gmx-users] number of coordinates in coordinate file s lal badshah
[gmx-users] S2 min and S2 max Lam Y Sonia
[gmx-users] number of coordinates in coordinate file David van der Spoel
[gmx-users] number of coordinates in coordinate file Mark Abraham
[gmx-users] DPPC lipid model in Gromos 53a5 Andreas
[gmx-users] procedure for creating an S-S bridge OZGE ENGIN
[gmx-users] DPPC lipid model in Gromos 53a5 Andreas
[gmx-users] procedure for creating an S-S bridge Mark Abraham
[gmx-users] procedure for creating an S-S bridge OZGE ENGIN
[gmx-users] Gromacs force field discussion patrick fuchs
[gmx-users] Gromacs force field discussion David van der Spoel
[gmx-users] problem with trjconv sudheer babu
[gmx-users] problem with trjconv Justin A. Lemkul
[gmx-users] Gromacs force field discussion Ran Friedman
[gmx-users] Electrostatic forces Georgios Patargias
[gmx-users] problem with trjconv Mark Abraham
[gmx-users] Gromacs force field discussion rainer
[gmx-users] DPPC lipid model in Gromos 53a5 Mark Abraham
[gmx-users] DPPC lipid model in Gromos 53a5 Mark Abraham
[gmx-users] DPPC lipid model in Gromos 53a5 David van der Spoel
[gmx-users] Electrostatic forces Mark Abraham
[gmx-users] DPPC lipid model in Gromos 53a5 Mark Abraham
[gmx-users] Electrostatic forces Georgios Patargias
[gmx-users] problem with mpi configuration. mario ciappy
[gmx-users] problem with mpi configuration. Diego Enry
[gmx-users] incorporation of distance restraint into the topology file OZGE ENGIN
[gmx-users] GROMACS vs NAMD Dibyadeep Paul
[gmx-users] incorporation of distance restraint into the topology file Mark Abraham
[gmx-users] GROMACS vs NAMD Mark Abraham
[gmx-users] step.pdb files during EM JMandumpal
[gmx-users] GROMACS vs NAMD David van der Spoel
[gmx-users] step.pdb files during EM Mark Abraham
[gmx-users] problem with mpi configuration. mario ciappy
[gmx-users] peptide MD Rigden, LucianeVMello
[gmx-users] Dumping of energies andersle at stud.ntnu.no
[gmx-users] Dumping of energies Mark Abraham
[gmx-users] peptide MD Daniel Larsson
[gmx-users] GROMACS vs NAMD Ilya Chorny
[gmx-users] constraints & cg Justin A. Lemkul
[gmx-users] constraints & cg Daniel Larsson
[gmx-users] problem with mpi configuration. Diego Enry
[gmx-users] Re: Dumping of energies andersle at stud.ntnu.no
[gmx-users] Re: Dumping of energies David van der Spoel
[gmx-users] Relating acceleration to pressure avinash kumar
[gmx-users] Relating acceleration to pressure Alan Dodd
[gmx-users] Skewed box using Parrinello-Rahman pressure coupling reich at mpikg.mpg.de
[gmx-users] Data generated by g_sas mon_sharma at research.iiit.ac.in
[gmx-users] Data generated by g_sas Daniel Larsson
[gmx-users] ramping force constants D. Flemming Hansen
[gmx-users] Coul-14, LJ-14 and RF-excl definitions? pascal.baillod at epfl.ch
[gmx-users] Total potential energy: 1/2 protein-solvent interactions?? pascal.baillod at epfl.ch
[gmx-users] Problems with OPLS topology files Goran Krilov
[gmx-users] Problem with using distance restraints (disre) with PBC Grace Li
[gmx-users] Problems with OPLS topology files Mark Abraham
[gmx-users] Problem with using distance restraints (disre) with PBC D. Flemming Hansen
[gmx-users] Problem with using distance restraints (disre) with PBC Mark Abraham
[gmx-users] ramping force constants Mark Abraham
[gmx-users] Problems with OPLS topology files Goran Krilov
[gmx-users] Data generated by g_sas Mark Abraham
[gmx-users] Problem with using distance restraints (disre) with PBC TJ Piggot
[gmx-users] Problem with using distance restraints (disre) with PBC Mitchell Stanton-Cook
[gmx-users] Problem with using distance restraints (disre) with PBC TJ Piggot
[gmx-users] Problem with using distance restraints (disre) with PBC Mitchell Stanton-Cook
[gmx-users] lateral diffusion coefficient of bilayer LeeHwan-kyu
[gmx-users] lateral diffusion coefficient of bilayer Justin A. Lemkul
[gmx-users] Problems with OPLS topology files Mark Abraham
[gmx-users] Checking the Progress of Energy minimization s lal badshah
[gmx-users] TIP5P and cg minimization rob yang
[gmx-users] TIP5P and cg minimization Mark Abraham
[gmx-users] Checking the Progress of Energy minimization Mark Abraham
[gmx-users] Total potential energy: 1/2 protein-solvent interactions?? Xavier Periole
[gmx-users] Data generated by g_sas mon_sharma at research.iiit.ac.in
[gmx-users] Data generated by g_sas Tsjerk Wassenaar
[gmx-users] Total potential energy: 1/2 protein-solvent interactions?? David van der Spoel
[gmx-users] Querry about NPT simulation with PR shankari hariharan
[gmx-users] Checking the Progress of Energy minimization Berk Hess
[gmx-users] Total potential energy: 1/2 protein-solvent interactions?? Xavier Periole
[gmx-users] Total potential energy: 1/2 protein-solvent interactions?? David van der Spoel
[gmx-users] Total potential energy: 1/2 protein-solvent interactions?? Xavier Periole
[gmx-users] Total potential energy: 1/2 protein-solvent interactions?? David van der Spoel
[gmx-users] Skewed box using Parrinello-Rahman pressure coupling Berk Hess
[gmx-users] problem with undistribution of water sudheer babu
[gmx-users] Total potential energy: 1/2 protein-solvent interactions?? Xavier Periole
[gmx-users] Problem with using distance restraints (disre) with PBC TJ Piggot
[gmx-users] problem with undistribution of water Justin A. Lemkul
[gmx-users] Skewed box using Parrinello-Rahman pressure coupling Stéphane Téletchéa
[gmx-users] Re: gmx-users Digest, Vol 47, Issue 12 Grace Li
[gmx-users] Re: lateral diffusion coefficient of bilayer LeeHwan-kyu
[gmx-users] density calculation of genbox Tobias Unruh
[gmx-users] TIP5P and cg minimization rob yang
[gmx-users] density calculation of genbox Mark Abraham
[gmx-users] TIP5P and cg minimization Mark Abraham
[gmx-users] Computational efficiency Ricardo Soares
[gmx-users] Computational efficiency Diego Enry
[gmx-users] density calculation of genbox Tobias Unruh
[gmx-users] Computational efficiency Ricardo Soares
[gmx-users] Computational efficiency Diego Enry
[gmx-users] query for g_sas Dilraj Lama
[gmx-users] Gromacs setup on dual core machine Ricardo Soares
[gmx-users] Gromacs setup on dual core machine Yang Ye
[gmx-users] trjconv behaving differently in 3.3.3 vs previous versions rob yang
[gmx-users] TIP5P and cg minimization JMandumpal
[gmx-users] TIP5P and cg minimization rob yang
[gmx-users] problem with undistribution of water sudheer babu
[gmx-users] problem with undistribution of water Mark Abraham
[gmx-users] trjconv behaving differently in 3.3.3 vs previous versions David van der Spoel
[gmx-users] query for g_sas Xavier Periole
[gmx-users] problem with undistribution of water Maik Goette
[gmx-users] Skewed box using Parrinello-Rahman pressure coupling Berk Hess
[gmx-users] Skewed box using Parrinello-Rahman pressure coupling Berk Hess
[gmx-users] trjconv behaving differently in 3.3.3 vs previous versions rob yang
[gmx-users] trjconv behaving differently in 3.3.3 vs previous versions David van der Spoel
[gmx-users] .gro files generation for a certain time-step interval in a simulation Huey Ling Tan
[gmx-users] trjconv behaving differently in 3.3.3 vs previous versions rob yang
[gmx-users] .gro files generation for a certain time-step interval in a simulation rob yang
[gmx-users] trjconv behaving differently in 3.3.3 vs previous versions David van der Spoel
[gmx-users] trjconv behaving differently in 3.3.3 vs previous versions rob yang
[gmx-users] .gro files generation for a certain time-step interval in a simulation Yang Ye
[gmx-users] Position restraints on a lipid bilayer toma0052
[gmx-users] Skewed box using Parrinello-Rahman pressure coupling reich at mpikg.mpg.de
[gmx-users] ED analysis, domain rotation, DynDom jo hanna
[gmx-users] Position restraints on a lipid bilayer Mark Abraham
[gmx-users] Noive to gromacs : MD for zeolitic system anjaiah Nalaparaju
[gmx-users] Noive to gromacs : MD for zeolitic system Mark Abraham
[gmx-users] Error of moleculetype s lal badshah
[gmx-users] Error of moleculetype Mark Abraham
[gmx-users] ED analysis, domain rotation, DynDom Tsjerk Wassenaar
[gmx-users] Coul-14, LJ-14 and RF-excl definitions (2) pascal.baillod at epfl.ch
[gmx-users] Coul-14, LJ-14 and RF-excl definitions (2) David van der Spoel
[gmx-users] A question about quenching Kristina Woods
[gmx-users] A question about quenching L. Michel Espinoza-Fonseca
[gmx-users] minimized on protein-protein decoys Liu Shiyong
[gmx-users] minimized on protein-protein decoys Mark Abraham
[gmx-users] A question about quenching David van der Spoel
[gmx-users] problem of nvt and npt sudheer babu
[gmx-users] problem of nvt and npt Mark Abraham
[gmx-users] Coul-14, LJ-14 and RF-excl definitions (2) Xavier Periole
[gmx-users] minimized on protein-protein decoys Liu Shiyong
[gmx-users] minimized on protein-protein decoys Justin A. Lemkul
[gmx-users] pbc on the "xy" direction OZGE ENGIN
[gmx-users] pbc on the "xy" direction Berk Hess
[gmx-users] Coul-14, LJ-14 and RF-excl definitions (2) Berk Hess
[gmx-users] Ki estimation V. Tanchuk
[gmx-users] no peak in rdf graph zhuliang at tju.edu.cn
[gmx-users] no peak in rdf graph Xavier Periole
[gmx-users] Position restraints on a lipid bilayer Stéphane Téletchéa
[gmx-users] Position restraints on a lipid bilayer Mark Abraham
[gmx-users] Free energy of dihedral restraint Robert Johnson
[gmx-users] Gromacs setup on dual core machine Kpiwara De X-nelo
[gmx-users] Error of atomtype before minimization s lal badshah
[gmx-users] Error of atomtype before minimization Mark Abraham
[gmx-users] Problem of *tpbconv sudheer babu
[gmx-users] Problem of *tpbconv Mark Abraham
[gmx-users] Error of atomtype not found s lal badshah
[gmx-users] ligand-protein interaction using gromacs #NGUYEN CONG TRI#
[gmx-users] Avoiding parameterization step Abu Naser
[gmx-users] Avoiding parameterization step Abu Naser
[gmx-users] Avoiding parameterization step Abu Naser
[gmx-users] Avoiding parameterization step Abu Naser
[gmx-users] Ki estimation Ran Friedman
[gmx-users] Avoiding parameterization step Gerrit Groenhof
[gmx-users] Error of atomtype not found Justin A. Lemkul
[gmx-users] ligand-protein interaction using gromacs Justin A. Lemkul
[gmx-users] Avoiding parameterization step Abu Naser
[gmx-users] Avoiding parameterization step Gerrit Groenhof
[gmx-users] Ki estimation Maik Goette
[gmx-users] Calculation of Dihedral angles Anirban Ghosh
[gmx-users] Calculation of Dihedral angles Justin A. Lemkul
[gmx-users] Avoiding parameterization step Mark Abraham
[gmx-users] ligand-protein interaction using gromacs David Mobley
[gmx-users] size of the system V.V. Chaban
[gmx-users] size of the system Justin A. Lemkul
[gmx-users] Gromacs setup on dual core machine Ricardo Soares
[gmx-users] size of the system V.V. Chaban
[gmx-users] size of the system V.V. Chaban
[gmx-users] parameter on Energy Minimization Liu Shiyong
[gmx-users] size of the system V.V. Chaban
[gmx-users] size of the system Justin A. Lemkul
[gmx-users] parameter on Energy Minimization Justin A. Lemkul
[gmx-users] pdb2gmx error shyamala iyer
[gmx-users] Gromacs setup on dual core machine Diego Enry
[gmx-users] parameter on Energy Minimization Mark Abraham
[gmx-users] size of the system Mark Abraham
[gmx-users] parameter on Energy Minimization Liu Shiyong
[gmx-users] parameter on Energy Minimization Justin A. Lemkul
[gmx-users] Gromacs setup on dual core machine Kpiwara De X-nelo
[gmx-users] Gromacs setup on dual core machine Jens Pohl
[gmx-users] Gromacs setup on dual core machine David van der Spoel
[gmx-users] Gromacs setup on dual core machine Mark Abraham
[gmx-users] Gromacs setup on dual core machine Jens Pohl
[gmx-users] How to judge the system was equilibrated Rui Li
[gmx-users] results of energy minimization s lal badshah
[gmx-users] results of energy minimization Per Larsson
[gmx-users] results of energy minimization Justin A. Lemkul
[gmx-users] DMSO G53a6 FF in Gromacs Andreas Boozo Frank
[gmx-users] DMSO G53a6 FF in Gromacs Berk Hess
[gmx-users] Re: DMSO G53a6 FF in Gromacs Andreas Boozo Frank
[gmx-users] size of the system V.V. Chaban
[gmx-users] DMSO G53a6 FF in Gromacs Xavier Periole
[gmx-users] DMSO G53a6 FF in Gromacs Andreas Boozo Frank
[gmx-users] Re: DMSO G53a6 FF in Gromacs Berk Hess
[gmx-users] Re: DMSO G53a6 FF in Gromacs Andreas Boozo Frank
[gmx-users] orires energy terms Berk Hess
[gmx-users] RE: Coul-14, LJ-14 and RF-excl definitions (2) pascal.baillod at epfl.ch
[gmx-users] RE: Coul-14, LJ-14 and RF-excl definitions (2) Berk Hess
[gmx-users] Re: DMSO G53a6 FF in Gromacs Andreas Boozo Frank
[gmx-users] Re: DMSO G53a6 FF in Gromacs Berk Hess
[gmx-users] problem with mpi configuration. mario ciappy
[gmx-users] trjconv output at a specified time Liu Shiyong
[gmx-users] trjconv output at a specified time Alan Dodd
[gmx-users] trjconv output at a specified time Liu Shiyong
[gmx-users] problem with mpi configuration. Diego Enry
[gmx-users] trjconv output at a specified time Alan Dodd
[gmx-users] problem with mpi configuration. Jens Pohl
[gmx-users] Problem about *pdbgmx sudheer babu
[gmx-users] Problem about *pdbgmx David van der Spoel
[gmx-users] problem with mpi configuration. Dr. Niharendu Choudhury
[gmx-users] problem with mpi configuration. Mark Abraham
[gmx-users] downloading problem Siavoush Dastmalchi
[gmx-users] downloading problem David van der Spoel
[gmx-users] selecting residues which are within cutoff distances maria goranovic
[gmx-users] Re: gmx-users Digest, Vol 47, Issue 41 sudheer babu
[gmx-users] selecting residues which are within cutoff distances TJ Piggot
[gmx-users] Acetyl capping and Range checking error Mauro Puppett
[gmx-users] Acetyl capping and Range checking error Justin A. Lemkul
[gmx-users] Umbrella sampling using 3-dimensions Mirijanian, Dina Tigranui
[gmx-users] How to change the default value for pbc ? Liu Shiyong
[gmx-users] How to change the default value for pbc ? Alan Dodd
[gmx-users] How to change the default value for pbc ? Liu Shiyong
[gmx-users] converged to Epot Liu Shiyong
[gmx-users] converged to Epot Mark Abraham
[gmx-users] how to run a gases diffusiion simulation vips g
[gmx-users] Help needed on using general amber force field (GAFF) in Gromacs Xiangyu Fan
[gmx-users] Help needed on using general amber force field (GAFF) in Gromacs Yang Ye
[gmx-users] mgxtest failed. Dr. Niharendu Choudhury
[gmx-users] how to run a gases diffusiion simulation David van der Spoel
[gmx-users] mgxtest failed. David van der Spoel
[gmx-users] running multiprocessor jobs on leopard 10.5.2 Syma Khalid
[gmx-users] running multiprocessor jobs on leopard 10.5.2 Marc Baaden
[gmx-users] mgxtest failed. Dr. Niharendu Choudhury
[gmx-users] traj.trr s lal badshah
[gmx-users] traj.trr Maik Goette
[gmx-users] ambconv again Alan
[gmx-users] mgxtest failed. David van der Spoel
[gmx-users] Re: Help needed on using general amber force field (GAFF) in Gromacs servaas michielssens
[gmx-users] Black whole simluations roger han
[gmx-users] Black whole simluations Steffen Wolf
[gmx-users] Black whole simluations Mark Abraham
[gmx-users] Black whole simluations David van der Spoel
[gmx-users] g_msd, REMD, trestart... Julián GC
[gmx-users] ambconv again Bruce Ray
[gmx-users] g_msd, REMD, trestart... Mark Abraham
[gmx-users] Whereabouts of NDLP??? Alan Chen
[gmx-users] Whereabouts of NDLP??? Tsjerk Wassenaar
[gmx-users] kinetically trapped in a local minimum??? #NGUYEN CONG TRI#
[gmx-users] Force field Dr. Niharendu Choudhury
[gmx-users] kinetically trapped in a local minimum??? Mark Abraham
[gmx-users] SGI installation problem Siavoush Dastmalchi
[gmx-users] kinetically trapped in a local minimum??? #NGUYEN CONG TRI#
[gmx-users] SGI installation problem David van der Spoel
[gmx-users] Re: kinetically trapped in a local minimum??? Alan Chen
[gmx-users] g_msd, REMD, trestart... Julián GC
[gmx-users] Force field Ángel Piñeiro
[gmx-users] g_msd, REMD, trestart... David van der Spoel
[gmx-users] SGI installation problem Siavoush Dastmalchi
[gmx-users] SGI installation problem David van der Spoel
[gmx-users] Postdoc/staff scientist opportunities: Gromacs & free energy Erik Lindahl
[gmx-users] SGI installation problem Siavoush Dastmalchi
[gmx-users] SGI installation problem Erik Lindahl
e: [gmx-users] ambconv again Alan
[gmx-users] SGI installation problem Siavoush Dastmalchi
[gmx-users] SGI installation problem - make_edi David van der Spoel
[gmx-users] SGI installation problem Siavoush Dastmalchi
[gmx-users] SGI installation problem David van der Spoel
[gmx-users] SGI installation problem Siavoush Dastmalchi
e: [gmx-users] ambconv again Bruce Ray
[gmx-users] *.itp files Sagittarius
[gmx-users] *.itp files Justin A. Lemkul
[gmx-users] Black whole simluations Kpiwara De X-nelo
[gmx-users] Black whole simluations #NGUYEN CONG TRI#
[gmx-users] equilibration s lal badshah
[gmx-users] equilibration Mark Abraham
[gmx-users] total energy Daniel P. Luis Jimenez
[gmx-users] Problem about Forcefield sudheer babu
[gmx-users] RE:Problem about *FF Andreas
[gmx-users] understanding of difference between gromacs procedures pragya chohan
[gmx-users] equilibration s lal badshah
[gmx-users] equilibration Tsjerk Wassenaar
[gmx-users] understanding of difference between gromacs procedures Mark Abraham
[gmx-users] Problem about Forcefield Mark Abraham
[gmx-users] total energy Mark Abraham
[gmx-users] understanding of difference between gromacs procedures pragya chohan
[gmx-users] understanding of difference between gromacs procedures Justin A. Lemkul
[gmx-users] understanding of difference between gromacs procedures pragya chohan
[gmx-users] understanding of difference between gromacs procedures Justin A. Lemkul
[gmx-users] RE:Problem about *FF sudheer babu
[gmx-users] understanding of difference between gromacs procedures pragya chohan
[gmx-users] understanding of difference between gromacs procedures Justin A. Lemkul
[gmx-users] Problem about *FF sudheer babu
[gmx-users] Free energy of dihedral restraint Robert Johnson
[gmx-users] pdb2gmx error Gadzikano Munyuki
[gmx-users] Problem about *FF Justin A. Lemkul
[gmx-users] pdb2gmx error Mark Abraham
[gmx-users] Force field Dr. Niharendu Choudhury
[gmx-users] problem of FF sudheer babu
[gmx-users] average structure with ligand Anna Marabotti
[gmx-users] average structure with ligand #NGUYEN CONG TRI#
[gmx-users] average structure with ligand Ran Friedman
[gmx-users] Force field Ángel Piñeiro
[gmx-users] nstcomm value avinash kumar
[gmx-users] Black whole simluations Maik Goette
[gmx-users] g_anaeig SWAPNA
[gmx-users] Definition of mol2 file used by topolbuild Bruce Ray
[gmx-users] RE: gmx-users Digest, Vol 47, Issue 58 Evanildo Júnior
[gmx-users] How to create three different zones to minimize energy of a enzyme? Evanildo Júnior
[gmx-users] center of mass removal baloilgiullare at interfree.it
[gmx-users] g_anaeig Mark Abraham
[gmx-users] How to create three different zones to minimize energy of a enzyme? Mark Abraham
[gmx-users] Remove COM of group only in x & y direction Mirijanian, Dina Tigranui
[gmx-users] ions different s lal badshah
[gmx-users] ions different Mark Abraham
[gmx-users] center of mass removal Tsjerk Wassenaar
[gmx-users] How to create three different zones to minimize energy of a enzyme? Tsjerk Wassenaar
[gmx-users] g_anaeig SWAPNA
[gmx-users] g_anaeig Mark Abraham
[gmx-users] Remove COM of group only in x & y direction Berk Hess
[gmx-users] SGI installation problem Erik Lindahl
[gmx-users] complete energy minimization s lal badshah
[gmx-users] configure error (lam-mpi installation) Andreas Kring
[gmx-users] complete energy minimization Justin A. Lemkul
[gmx-users] complete energy minimization Mark Abraham
[gmx-users] configure error (lam-mpi installation) Mark Abraham
[gmx-users] center of mass removal Giordano Mancini
[gmx-users] Black whole simluations Jiang ran
[gmx-users] SGI installation problem Siavoush Dastmalchi
[gmx-users] How to create three different zones to minimize energy of a enzyme? TJ Piggot
[gmx-users] pdb2gmx error Gadzikano Munyuki
[gmx-users] pdb2gmx error Tsjerk Wassenaar
[gmx-users] pdb2gmx error Justin A. Lemkul
[gmx-users] construct electron density from file WANNIER_CENTER Yunan Yan
[gmx-users] tutorial for membrane-bound systems serdar durdagi
[gmx-users] wants to simulate for more timesteps Anamika Awasthi
[gmx-users] wants to simulate for more timesteps Siavoush Dastmalchi
[gmx-users] wants to simulate for more timesteps Mark Abraham
[gmx-users] tutorial for membrane-bound systems Alan Dodd
[gmx-users] tutorial for membrane-bound systems serdar durdagi
[gmx-users] tutorial for membrane-bound systems Andreas
[gmx-users] tutorial for membrane-bound systems Alan Dodd
[gmx-users] ED analysis, domain rotation, DynDom jo hanna
[gmx-users] help for dynamic in TFE/H2O Luisa Calvanese
[gmx-users] problem with TFE in GROMOS96 53a6 Luisa Calvanese
[gmx-users] problem with TFE in GROMOS96 53a6 Luisa Calvanese
[gmx-users] help for file .itp Luisa Calvanese
[gmx-users] ED analysis, domain rotation, DynDom Tsjerk Wassenaar
[gmx-users] help for file .itp Mark Abraham
[gmx-users] Problem about tpbconv sudheer babu
[gmx-users] Problem about tpbconv Mark Abraham
[gmx-users] information about tau_p pragya chohan
[gmx-users] information about tau_p Mark Abraham
[gmx-users] popc Chiara Parravicini
[gmx-users] popc Justin A. Lemkul
[gmx-users] popc Chiara Parravicini
[gmx-users] popc Justin A. Lemkul
[gmx-users] changing the time step with tpbconv OZGE ENGIN
[gmx-users] changing the time step with tpbconv David van der Spoel
[gmx-users] problem about rmsd sudheer babu
[gmx-users] changing the time step with tpbconv OZGE ENGIN
[gmx-users] popc chris.neale at utoronto.ca
[gmx-users] problem about rmsd Justin A. Lemkul
[gmx-users] changing the time step with tpbconv David van der Spoel
[gmx-users] problem about rmsd sudheer babu
[gmx-users] problem about rmsd Justin A. Lemkul
[gmx-users] problem about rmsd bharat v. adkar
[gmx-users] problem with grompp (that is used instead of tpbconv) OZGE ENGIN
[gmx-users] problem with grompp (that is used instead of tpbconv) Mark Abraham
[gmx-users] problem about rmsd Mark Abraham
[gmx-users] average structure with ligand David Mobley
[gmx-users] Free energy of dihedral restraint David Mobley
[gmx-users] problem with grompp (that is used instead of tpbconv) David van der Spoel
[gmx-users] Simulated Annealing problem mon_sharma at research.iiit.ac.in
[gmx-users] lipid parameters for ffG43a1 pragya chohan
[gmx-users] Simulated Annealing problem Mark Abraham
[gmx-users] lipid parameters for ffG43a1 Justin A. Lemkul
[gmx-users] lipid parameters for ffG43a1 Mark Abraham
[gmx-users] Simulated Annealing problem mon_sharma at research.iiit.ac.in
[gmx-users] Simulated Annealing problem mon_sharma at research.iiit.ac.in
[gmx-users] error of equilibration s lal badshah
[gmx-users] pr.mdp file s lal badshah
[gmx-users] LINCS problem s lal badshah
[gmx-users] FF for membrane protein simulation in water sudheer babu
[gmx-users] Gromacs slow for 23000 atom DPPC bilayer on a (1 x 4) node: 50 ps in 10 hours maria goranovic
[gmx-users] pr.mdp file Justin A. Lemkul
[gmx-users] FF for membrane protein simulation in water Justin A. Lemkul
[gmx-users] Gromacs slow for 23000 atom DPPC bilayer on a (1 x 4) node: 50 ps in 10 hours Carsten Kutzner
[gmx-users] Gromacs slow for 23000 atom DPPC bilayer on a (1 x 4) node: 50 ps in 10 hours Alan Dodd
[gmx-users] Gromacs slow for 23000 atom DPPC bilayer on a (1 x 4) node: 50 ps in 10 hours maria goranovic
[gmx-users] OPLS-FF sudheer babu
[gmx-users] amber force field problem: ignh doesnot work Liu Shiyong
[gmx-users] amber force field problem: ignh doesnot work Justin A. Lemkul
[gmx-users] OPLS-FF chris.neale at utoronto.ca
[gmx-users] error of equilibration Mark Abraham
[gmx-users] LINCS problem Mark Abraham
[gmx-users] Error in equilibration s lal badshah
[gmx-users] Gromacs slow for 23000 atom DPPC bilayer on a (1 x 4) node: 50 ps in 10 hours maria goranovic
[gmx-users] error oxo s lal badshah
[gmx-users] .itp file for polymer (Polystyrene) Rohit
[gmx-users] Error in equilibration Justin A. Lemkul
[gmx-users] query about itp file of sugar SHREYA RAY CHAUDHURI
[gmx-users] Re: Hi Justin A. Lemkul
[gmx-users] Re: Informatin about Force field for Protein in POPC Chris Neale
[gmx-users] POL3 polarizable water model Bo Zhou
[gmx-users] POL3 polarizable water model Vasilii Artyukhov
[gmx-users] POL3 polarizable water model David van der Spoel
[gmx-users] combining the OPLS-AA forcefield with the Berger lipids Chris Neale
[gmx-users] Distance constrained energy minimization and MD jayant james
[gmx-users] Error in equilibration Mark Abraham
[gmx-users] Gromacs slow for 23000 atom DPPC bilayer on a (1 x 4) node: 50 ps in 10 hours Mark Abraham
[gmx-users] Distance constrained energy minimization and MD Mark Abraham
[gmx-users] .itp file for polymer (Polystyrene) Mark Abraham
[gmx-users] looking for help about the generating of opls forcefield zhuliang at tju.edu.cn
[gmx-users] query about itp file of sugar Mark Abraham
[gmx-users] OPLS-AA/L sudheer babu
[gmx-users] System s lal badshah
[gmx-users] OPLS-AA/L chris.neale at utoronto.ca
[gmx-users] .itp file for polymer (Polystyrene) Rohit
[gmx-users] Error in equilibration s lal badshah
[gmx-users] Error in equilibration Mark Abraham
[gmx-users] looking for help about the generating of opls forcefield Mark Abraham
[gmx-users] Basic questions. fabracht sdf
[gmx-users] gmxtest failure on a phenom machine Giovanni Settanni
[gmx-users] Basic questions. Justin A. Lemkul
[gmx-users] minimization -- bugzilla or general advice? David Mobley
[gmx-users] minimization -- bugzilla or general advice? Xavier Periole
[gmx-users] Install on a 64 bit dual core machine - Debian linux Kpiwara De X-nelo
[gmx-users] Install on a 64 bit dual core machine - Debian linux Ricardo Soares
[gmx-users] Install on a 64 bit dual core machine - Debian linux Diego Enry
[gmx-users] minimization -- bugzilla or general advice? David Mobley
[gmx-users] minimization -- bugzilla or general advice? Mark Abraham
[gmx-users] minimization -- bugzilla or general advice? David Mobley
[gmx-users] minimization -- bugzilla or general advice? Christian Burisch
[gmx-users] minimization -- bugzilla or general advice? David Mobley
[gmx-users] system collapsed Gitanjali tandon
[gmx-users] system collapsed Mark Abraham
[gmx-users] minimization -- bugzilla or general advice? David van der Spoel
[gmx-users] Re:writing xtc file from trr file JMandumpal
[gmx-users] Re:writing xtc file from trr file Florian Dommert
[gmx-users] Re:writing xtc file from trr file Florian Dommert
[gmx-users] Re:writing xtc file from trr file Florian Dommert
[gmx-users] minimization -- bugzilla or general advice? Berk Hess
[gmx-users] about g_bond Rui Li
[gmx-users] MInimization with frozen atoms Georgios Patargias
[gmx-users] about g_bond David van der Spoel
[gmx-users] minimization -- bugzilla or general advice? David Mobley
[gmx-users] minimization -- bugzilla or general advice? Berk Hess
[gmx-users] Skewed box using Parrinello-Rahman pressure coupling reich at mpikg.mpg.de
[gmx-users] why trjconv cannot split a file more than 1020 parts 齐文鹏
[gmx-users] why trjconv cannot split a file more than 1020 parts Yang Ye
[gmx-users] Skewed box using Parrinello-Rahman pressure coupling Berk Hess
[gmx-users] Minimisation with frozen groups reich at mpikg.mpg.de
[gmx-users] Alkane dihedral from OPLS to Ryckaert-Bellemans Sung Hyun Park
[gmx-users] Install on a 64 bit dual core machine - Debian linux Rodrigo faccioli
[gmx-users] OPLS-AA/L sudheer babu
[gmx-users] OPLS-AA/L Justin A. Lemkul
[gmx-users] Skewed box using Parrinello-Rahman pressure coupling reich at mpikg.mpg.de
[gmx-users] How to decrease the temperature during a MD? Priscila Capriles Goliatt
[gmx-users] minimization -- bugzilla or general advice? David Mobley
[gmx-users] minimization -- bugzilla or general advice? David Mobley
[gmx-users] OPLS-AA/L Chris Neale
[gmx-users] gmx-users Luis Javier Alvarez Noguera
[gmx-users] How to decrease the temperature during a MD? Martin Höfling
[gmx-users] gmx-users Mark Abraham
[gmx-users] why trjconv cannot split a file more than 1020 parts 齐文鹏
[gmx-users] NVT and NVE JMandumpal
[gmx-users] how to calculate redisue wise RMSD in gromacs? yren at home.ipe.ac.cn
[gmx-users] NVT and NVE JMandumpal
[gmx-users] NVT and NVE Mark Abraham
[gmx-users] how to calculate redisue wise RMSD in gromacs? Mark Abraham
[gmx-users] NVT and NVE JMandumpal
[gmx-users] Skewed box using Parrinello-Rahman pressure coupling Berk Hess
[gmx-users] minimization -- bugzilla or general advice? Berk Hess
[gmx-users] Question about different versions of gromacs Nicolas Martinez
[gmx-users] NVT and NVE JMandumpal
[gmx-users] Question about different versions of gromacs Mark Abraham
[gmx-users] NVT and NVE David van der Spoel
[gmx-users] Question about different versions of gromacs Carsten Kutzner
[gmx-users] gromacs 4.0 Xavier Periole
[gmx-users] gromacs 4.0 Berk Hess
[gmx-users] Question about different versions of gromacs Berk Hess
[gmx-users] H Atom type modification of POPC and double pair sudheer babu
[gmx-users] how to calculate redisue wise RMSD in gromacs? TJ Piggot
[gmx-users] Re: Re: How to decrease the temperature during a MD? Priscila Capriles Goliatt
[gmx-users] Question about different versions of gromacs pragya chohan
[gmx-users] restarting MD simulation serdar durdagi
[gmx-users] restarting MD simulation David van der Spoel
[gmx-users] Question about different versions of gromacs Berk Hess
[gmx-users] Position restraint and distance restraints jayant james
[gmx-users] Position restraint and distance restraints Yang Ye
[gmx-users] restarting MD simulation Diego Enry
[gmx-users] Re: Starting configuration for gromacs Mark Abraham
[gmx-users] modify H atom type from opls_369 sudheer babu
[gmx-users] Command for MD s lal badshah
[gmx-users] Command for MD Tsjerk Wassenaar
[gmx-users] g_sas WARNING: could not find a Van der Waals radius jo hanna
[gmx-users] transfer of AMBER ion definitions to the ions.itp file OZGE ENGIN
[gmx-users] g_analyze A Heddell
[gmx-users] g_analyze David van der Spoel
[gmx-users] transfer of AMBER ion definitions to the ions.itp file Justin A. Lemkul
[gmx-users] transfer of AMBER ion definitions to the ions.itp file OZGE ENGIN
[gmx-users] simulation of gases diffusion pathways vips g
[gmx-users] simulation of gases diffusion pathways David van der Spoel
[gmx-users] table-extension jayant james
[gmx-users] g_sas WARNING: could not find a Van der Waals radius Mark Abraham
[gmx-users] table-extension Mark Abraham
[gmx-users] How to analyse the number of atom around the protein? fufengliu at tju.edu.cn
[gmx-users] How to analyse the number of atom around the protein? David van der Spoel
[gmx-users] g_sas WARNING: could not find a Van der Waals radius Tsjerk Wassenaar
[gmx-users] Help with water decane interface fabracht sdf
[gmx-users] An error in parallel shuai lu
[gmx-users] to create a simulation box containing only oxygen gas vips g
[gmx-users] Help with water decane interface Justin A. Lemkul
[gmx-users] to create a simulation box containing only oxygen gas Justin A. Lemkul
[gmx-users] An error in parallel Justin A. Lemkul
[gmx-users] Help with water decane interface Ángel Piñeiro
[gmx-users] An error in parallel shuai lu
[gmx-users] residue names for AMBER ff in GROMACS OZGE ENGIN
[gmx-users] residue names for AMBER ff in GROMACS Justin A. Lemkul
[gmx-users] Entropy correction in PMF Ángel Piñeiro
[gmx-users] Converting Tripos FF to Gromacs? serdar durdagi
[gmx-users] Converting Tripos FF to Gromacs? Mark Abraham
[gmx-users] Pressure negative after NVT simulation Alif M Latif
[gmx-users] Pressure negative after NVT simulation Mark Abraham
[gmx-users] How to modify H atom type from opls_369 to match H expected by popc.itp sudheer babu
[gmx-users] Simulation at different temperature s lal badshah
[gmx-users] Simulation at different temperature David van der Spoel
[gmx-users] Please let me know where can I found parameters for Phosphorylated amino acids. SeungPyo Hong
[gmx-users] Simulation at different temperature Yang Ye
[gmx-users] problem with bilayer PBC. after dynamics, bilayer becomes 2 monolayers (shift in box center?) maria goranovic
[gmx-users] problem with bilayer PBC. after dynamics, bilayer becomes 2 monolayers (shift in box center?) Alan Dodd
[gmx-users] how can I restart simulation Anamika Awasthi
[gmx-users] how can I restart simulation Justin A. Lemkul
[gmx-users] Please let me know where can I found parameters for Phosphorylated amino acids. Justin A. Lemkul
[gmx-users] How to modify H atom type from opls_369 to match H expected by popc.itp Justin A. Lemkul
[gmx-users] How to modify H atom type from opls_369 to match H expected by popc.itp Chris Neale
[gmx-users] Re: Help needed on using general amber force field (GAFF) in Gromacs Xiangyu Fan
[gmx-users] Re: Help needed on using general amber force field (GAFF) servaas michielssens
[gmx-users] anisotropic coupling tau_p values pragya chohan
[gmx-users] anisotropic coupling tau_p values Justin A. Lemkul
[gmx-users] error with pdb2gmx when using AMBER ff in GROMACS OZGE ENGIN
[gmx-users] g_sas and vdwradii.dat Justin A. Lemkul
[gmx-users] error with pdb2gmx when using AMBER ff in GROMACS Justin A. Lemkul
[gmx-users] error with pdb2gmx when using AMBER ff in GROMACS OZGE ENGIN
[gmx-users] error with pdb2gmx when using AMBER ff in GROMACS Justin A. Lemkul
[gmx-users] Re: g_sas and vdwradii.dat Justin A. Lemkul
[gmx-users] error with pdb2gmx when using AMBER ff in GROMACS OZGE ENGIN
[gmx-users] error with pdb2gmx when using AMBER ff in GROMACS Justin A. Lemkul
[gmx-users] Converting Tripos FF to Gromacs? Bruce Ray

Last message date: Mon Mar 31 23:53:55 CEST 2008
Archived on: Thu Nov 14 12:04:21 CET 2013

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

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