April 2009 Archives by subject

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

Starting: Wed Apr 1 03:32:11 CEST 2009
Ending: Thu Apr 30 22:29:01 CEST 2009
Messages: 684

[gmx-users] Re:(Mark) The X-size of the box times triclinic skew factor is smaller than ... wuxiao
[gmx-users] (no subject) Antonia V.
[gmx-users] (no subject) Justin A. Lemkul
[gmx-users] (no subject) Antonia V.
[gmx-users] (no subject) Justin A. Lemkul
[gmx-users] (no subject) Antonia V.
[gmx-users] (no subject) He, Yang
[gmx-users] (no subject) Justin A. Lemkul
[gmx-users] (no subject) He, Yang
[gmx-users] (no subject) Justin A. Lemkul
[gmx-users] (no subject) He, Yang
[gmx-users] (no subject) Justin A. Lemkul
[gmx-users] (no subject) He, Yang
[gmx-users] (no subject) Justin A. Lemkul
[gmx-users] (no subject) He, Yang
[gmx-users] (no subject) Mark Abraham
[gmx-users] (no subject) wuxiao
[gmx-users] (no subject) Mark Abraham
[gmx-users] -center -fit dodecahedron : dimer nahren manuel
[gmx-users] -center -fit dodecahedron : dimer Tsjerk Wassenaar
[gmx-users] -center -fit dodecahedron : dimer Mark Abraham
[gmx-users] -center -fit dodecahedron : dimer nahren manuel
[gmx-users] -center -fit dodecahedron : dimer Mark Abraham
[gmx-users] 10-4 Wall Potential. ttrudeau
[gmx-users] 2d-RDF for lipid systems Dmitry Lupyan
[gmx-users] A question regarding the xdr lib LuLanyuan
[gmx-users] A question regarding the xdr lib David van der Spoel
[gmx-users] A question regarding the xdr lib LuLanyuan
[gmx-users] About a restart problem kyungchan chae
[gmx-users] About a restart problem Justin A. Lemkul
[gmx-users] about estiminating the binding free energy by LIE method Mark Abraham
[gmx-users] about estiminating the binding free energy by LIE method mircial at sjtu.edu.cn
[gmx-users] about Normal Mode Analysis Anna Marabotti
[gmx-users] about Normal Mode Analysis Mark Abraham
[gmx-users] about parallel work sheerychen
[gmx-users] about parallel work Carsten Kutzner
[gmx-users] about parallel work Martin Höfling
[gmx-users] about parallel work sheerychen
[gmx-users] about parallel work Carsten Kutzner
[gmx-users] about salt bridge mary
[gmx-users] about salt bridge Mark Abraham
[gmx-users] about salt bridge xiongxuqiong
[gmx-users] about salt bridge Justin A. Lemkul
[gmx-users] about salt bridge (documentation suggestion) Justin A. Lemkul
[gmx-users] about the bond connection between different groups He, Yang
[gmx-users] about the bond connection between different groups Justin A. Lemkul
[gmx-users] about the bond connection between different groups He, Yang
[gmx-users] about the bond connection between different groups Justin A. Lemkul
[gmx-users] about the bond connection between different groups Tsjerk Wassenaar
[gmx-users] about the bond connection between different groups He, Yang
[gmx-users] about the bond connection between different groups Tsjerk Wassenaar
[gmx-users] about the bond connection between different groups He, Yang
[gmx-users] about the bond connection between different groups Steve Fiedler
[gmx-users] about the bond connection between different groups Justin A. Lemkul
[gmx-users] Assignment of Atoms to Charge Groups in x2top darrellk at ece.ubc.ca
[gmx-users] atomtype OWT4 not found but OWT3 and OWT5 is ok in amber03 force field....how is that possible? Kevin Channon
[gmx-users] beta peptide parameters Michael McGovern
[gmx-users] Re:binding energy Archana Sonawani
[gmx-users] broken molecules in ouput of MDRUN Gurpreet Singh
[gmx-users] broken molecules in ouput of MDRUN Justin A. Lemkul
[gmx-users] building Topologies Jessé Nóbrega
[gmx-users] building Topologies Justin A. Lemkul
[gmx-users] calculating com-com distances. Fernando C
[gmx-users] calculating com-com distances. Tsjerk Wassenaar
[gmx-users] calculating com-com distances. Fernando C
[gmx-users] calculating com-com distances. Tsjerk Wassenaar
[gmx-users] calculating com-com distances. Fernando C
[gmx-users] Coarse graining for Benzene and related molecules ROHIT MALSHE
[gmx-users] Coarse graining for Benzene and related molecules Justin A. Lemkul
[gmx-users] Coarse-graining in gromacs วันเวลา อมรนพ
[gmx-users] Coarse-graining in gromacs Mark Abraham
[gmx-users] Combining LJ and buckingham potential osmair oliveira
[gmx-users] Combining LJ and buckingham potential Omer Markovitch
[gmx-users] Combining LJ and buckingham potential osmair oliveira
[gmx-users] compilation error yimnai forlemu
[gmx-users] compilation error Mark Abraham
[gmx-users] compilation error yimnai forlemu
[gmx-users] compilation error Mark Abraham
[gmx-users] Conjugate Gradient - Equations Una Bjarnadottir
[gmx-users] continuing a MD simulation on different architectures andrea spitaleri
[gmx-users] continuing a MD simulation on different architectures Berk Hess
[gmx-users] continuing a MD simulation on different architectures andrea spitaleri
[gmx-users] continuing a MD simulation on different architectures Mark Abraham
[gmx-users] continuing a MD simulation on different architectures Berk Hess
[gmx-users] continuing a MD simulation on different architectures Berk Hess
[gmx-users] Continuous trajectory processing Aaron Fafarman
[gmx-users] Continuous trajectory processing XAvier Periole
[gmx-users] Continuous trajectory processing Mark Abraham
[gmx-users] Couette flow Manik Mayur
[gmx-users] Couette flow David van der Spoel
[gmx-users] Couette flow Manik Mayur
[gmx-users] Couette flow David van der Spoel
[gmx-users] Couette flow Manik Mayur
[gmx-users] Couette flow David van der Spoel
[gmx-users] Couette flow Manik Mayur
[gmx-users] Couette flow David van der Spoel
[gmx-users] Couette flow Manik Mayur
[gmx-users] define atoms shahrbanoo karbalaee
[gmx-users] define atoms Justin A. Lemkul
[gmx-users] define atoms shahrbanoo karbalaee
[gmx-users] define atoms Justin A. Lemkul
[gmx-users] density around protein Morteza Khabiri
[gmx-users] density around protein Matt Wyczalkowski
[gmx-users] density around protein Dallas B. Warren
[gmx-users] Density Problem Zhang Hui
[gmx-users] Density Problem Zhang Hui
[gmx-users] Density Problem Mark Abraham
[gmx-users] Density Problem Zhang Hui
[gmx-users] dgdl convergence in free energy calculation friendli
[gmx-users] different result for entropy with normal mode analysis and schlitter-approximation Ran Friedman
[gmx-users] different result for entropy with normal mode analysis and schlitter-approximation oliver.kuhn at uni-duisburg-essen.de
[gmx-users] dihedral angle restraints Sandeep Pal
[gmx-users] dihedral angle restraints Justin A. Lemkul
[gmx-users] dihedral angle restraints Justin A. Lemkul
[gmx-users] dihedral potential structure Филипп Орехов
[gmx-users] dihedral potential structure Филипп Орехов
[gmx-users] dihedral potential structure Mark Abraham
[gmx-users] distance restraint energy from g_energy jennifer johnston
[gmx-users] distance restraints in Gromacs 4.0.4 Ivan Gladich
[gmx-users] Doubt regarding membrane protein in POPC bilayer Pawan Kumar
[gmx-users] Doubt regarding membrane protein in POPC bilayer Pawan Kumar
[gmx-users] Doubt regarding membrane protein in POPC bilayer Kukol, Andreas
[gmx-users] Doubt regarding membrane protein in POPC bilayer Pawan Kumar
[gmx-users] Doubt regarding membrane protein in POPC bilayer Kukol, Andreas
[gmx-users] Doubt regarding membrane protein in POPC bilayer Pawan Kumar
[gmx-users] Re: Doubt regarding membrane protein in POPC bilayer Justin A. Lemkul
[gmx-users] Doubt regarding membrane protein in POPC bilayer Pawan Kumar
[gmx-users] Doubt regarding membrane protein in POPC bilayer Justin A. Lemkul
[gmx-users] Doubt regarding membrane protein in POPC bilayer Pawan Kumar
[gmx-users] Doubt regarding membrane protein in POPC bilayer Mark Abraham
[gmx-users] Doubt regarding membrane protein in POPC bilayer Pawan Kumar
[gmx-users] Doubt regarding membrane protein in POPC bilayer Mark Abraham
[gmx-users] Doubt regarding membrane protein in POPC bilayer Pawan Kumar
[gmx-users] dssp install problems KS Rotondi
[gmx-users] dssp install problems J. Rui Rodrigues
[gmx-users] dssp install problems Justin A. Lemkul
[gmx-users] dssp install problems KS Rotondi
[gmx-users] editconf 2 warning Homa Azizian
[gmx-users] editconf 2 warning Mark Abraham
[gmx-users] editing .rtp files Jacob Harvey
[gmx-users] editing .rtp files Justin A. Lemkul
[gmx-users] editing .rtp files Jacob Harvey
[gmx-users] editing .rtp files David van der Spoel
[gmx-users] editing .rtp files Dallas B. Warren
[gmx-users] Elastic Network Model Joe Joe
[gmx-users] energy jayant james
[gmx-users] energy Mark Abraham
[gmx-users] energy jayant james
[gmx-users] Energy Conservation with 4fs timestep Joe Joe
[gmx-users] Energy Conservation with 4fs timestep Mark Abraham
[gmx-users] Energy Conservation with 4fs timestep Berk Hess
[gmx-users] Energy Conservation with 4fs timestep Joe Joe
[gmx-users] energy xvg file shows a large energy change from time step 0 to time step 0.2 ps Halie Shah
[gmx-users] Error by pdb2gmx Yanmei Song
[gmx-users] Error by pdb2gmx Justin A. Lemkul
[gmx-users] Error by pdb2gmx Yanmei Song
[gmx-users] Error by pdb2gmx Dallas B. Warren
[gmx-users] Error by pdb2gmx Yanmei Song
[gmx-users] Error by pdb2gmx Justin A. Lemkul
[gmx-users] Error by pdb2gmx Dallas B. Warren
[gmx-users] Error by pdb2gmx Yanmei Song
[gmx-users] Error by pdb2gmx Mark Abraham
[gmx-users] Error by pdb2gmx Justin A. Lemkul
[gmx-users] Error by pdb2gmx Yanmei Song
[gmx-users] Error by pdb2gmx Dallas B. Warren
[gmx-users] Error by pdb2gmx Yanmei Song
[gmx-users] Error by pdb2gmx Justin A. Lemkul
[gmx-users] Error by pdb2gmx Yanmei Song
[gmx-users] Error by pdb2gmx Yanmei Song
[gmx-users] Error with equilibration of DPPC membrane with protein Edvin Erdtman
[gmx-users] Error with equilibration of DPPC membrane with protein Justin A. Lemkul
[gmx-users] Error with equilibration of DPPC membrane with protein Edvin Erdtman
[gmx-users] Error with equilibration of DPPC membrane with protein Justin A. Lemkul
[gmx-users] Error with equilibration of DPPC membrane with protein chris.neale at utoronto.ca
[gmx-users] estimate free energy bu LIE method, about long range electrostatic interaction mircial at sjtu.edu.cn
[gmx-users] estimate the binding free energy. long range electrostatic interaction mircial at sjtu.edu.cn
[gmx-users] Ewald summation: n=0 Mark Abraham
[gmx-users] Ewald summation: n=0 Steve Fiedler
[gmx-users] Fatal error: The X-size of the box times triclinic skew factor is smaller than the number of DD cells times the smallest allowed cell size Mark Abraham
[gmx-users] Fatal error: The X-size of the box times triclinic skew factor is smaller than the number of DD cells times the smallest allowed cell size wuxiao
[gmx-users] FEP source code murat cetinkaya
[gmx-users] FEP source code Carsten Kutzner
[gmx-users] ffgmx:diffusion of oxygen Sunil Thapa
[gmx-users] ffgmx:diffusion of oxygen Mark Abraham
[gmx-users] ffgmx:diffusion of oxygen Jochen Hub
[gmx-users] ffgmx:diffusion of oxygen David van der Spoel
[gmx-users] ffgmx:diffusion of oxygen Sunil Thapa
[gmx-users] ffgmx:diffusion of oxygen David van der Spoel
[gmx-users] ffgmx:diffusion of oxygen Dallas B. Warren
[gmx-users] forcefield for free (neutral) amino acids chun feng
[gmx-users] forcefield for free (neutral) amino acids FyD
[gmx-users] forcefield for free (neutral) amino acids Mark Abraham
[gmx-users] Re: Free energy with Gromacs. David Mobley
[gmx-users] Full implementation of CHARMM and AMBER in GROMACS? DimitryASuplatov
[gmx-users] Full implementation of CHARMM and AMBER in GROMACS? Roland Schulz
[gmx-users] g_cluster output sarbani chattopadhyay
[gmx-users] g_cluster output Mark Abraham
[gmx-users] Re: Re:g_cluster output sarbani chattopadhyay
[gmx-users] Re: Re:g_cluster output Mark Abraham
[gmx-users] g_covar Segmentation fault Anirban Ghosh
[gmx-users] g_covar Segmentation fault Mark Abraham
[gmx-users] g_covar Segmentation fault Nicolas
[gmx-users] g_hbond Dmitry Lupyan
[gmx-users] g_hbond Justin A. Lemkul
[gmx-users] g_hbond Mark Abraham
[gmx-users] g_msd Borys Szefczyk
[gmx-users] g_msd Yanmei Song
[gmx-users] g_msd clarification Dmitry Lupyan
[gmx-users] g_msd clarification Justin A. Lemkul
[gmx-users] g_msd clarification Dmitry Lupyan
[gmx-users] g_msd clarification Justin A. Lemkul
[gmx-users] g_sas Cheong Wee Loong, Daniel
[gmx-users] g_sas Justin A. Lemkul
[gmx-users] g_sas Cheong Wee Loong, Daniel
[gmx-users] g_sas Justin A. Lemkul
[gmx-users] g_sas Cheong Wee Loong, Daniel
[gmx-users] g_sas Justin A. Lemkul
[gmx-users] g_sas Cheong Wee Loong, Daniel
[gmx-users] g_sas Mark Abraham
[gmx-users] g_sas Tsjerk Wassenaar
[gmx-users] g_sas Cheong Wee Loong, Daniel
[gmx-users] g_sdf Morteza Khabiri
[gmx-users] g_sdf Dallas B. Warren
[gmx-users] g_sdf Morteza Khabiri
[gmx-users] g_sdf Dallas B. Warren
[gmx-users] Generate topology for infinite alpha helix with pbc? David van der Spoel
[gmx-users] Generate topology for infinite alpha helix with pbc? Zhiping Xu
[gmx-users] glass transition temperature ROHIT MALSHE
[gmx-users] Re: gmx-users Digest, Vol 60, Issue 116 nitu sharma
[gmx-users] Re: gmx-users Digest, Vol 60, Issue 14 Alan
[gmx-users] Re: gmx-users Digest, Vol 60, Issue 40 darrellk at ece.ubc.ca
[gmx-users] Re: gmx-users Digest, Vol 60, Issue 89 Anirban Ghosh
[gmx-users] Re: gmx-users] Mopac7 / Gromacs 4.0.4 Issue Gerrit Groenhof
[gmx-users] Re: gmx-users] Mopac7 / Gromacs 4.0.4 Issue Matthew Lardy
[gmx-users] Gromacs 4.0.2 vs. 4.0.3 Rainer Bockmann
[gmx-users] Gromacs 4.0.2 vs. 4.0.3 Berk Hess
[gmx-users] Gromacs 4.0.2 vs. 4.0.3 Rainer Bockmann
[gmx-users] Gromacs 4.0.2 vs. 4.0.3 Martin Höfling
[gmx-users] Gromacs 4.0.2 vs. 4.0.3 Rainer Bockmann
[gmx-users] Gromacs 4.0.2 vs. 4.0.3 Berk Hess
[gmx-users] Gromacs 4.0.2 vs. 4.0.3 Rainer Bockmann
[gmx-users] Gromacs QM-MM Tutorial Praveen Agrawal
[gmx-users] Re: Gromacs QM-MM Tutorial Praveen Agrawal
[gmx-users] Re: Gromacs QM-MM Tutorial Praveen Agrawal
[gmx-users] GROMOS carbohydrate forcefield 45a4 Neha Gandhi
[gmx-users] GROMOS carbohydrate forcefield 45a4 Justin A. Lemkul
[gmx-users] grompp error nitu sharma
[gmx-users] grompp error Dallas B. Warren
[gmx-users] grompp error Mark Abraham
[gmx-users] grompp error in running simultion of membrane protein with lipid bilayer nitu sharma
[gmx-users] grompp error in running simultion of membrane protein with lipid bilayer Justin A. Lemkul
[gmx-users] grompp error in simulation of membrane protein. nitu sharma
[gmx-users] grompp error in simulation of membrane protein. Justin A. Lemkul
[gmx-users] grompp error no. of coordinate file doesn't match with topology file Justin A. Lemkul
[gmx-users] grompp error no. of coordinate file doesn't match with topology file nitu sharma
[gmx-users] grompp error no. of coordinate file doesn't match with topology file nitu sharma
[gmx-users] Grompp fatal error (Residue numbers in the .top are not numbered consecutively from 1) Justin A. Lemkul
[gmx-users] Grompp fatal error (Residue numbers in the .top are not numbered consecutively from 1) Justin A. Lemkul
[gmx-users] Grompp fatal error (Residue numbers in the .top are not numbered consecutively from 1) annalisa bordogna
[gmx-users] Grompp fatal error (Residue numbers in the .top are not numbered consecutively from 1) annalisa bordogna
[gmx-users] Grompp fatal error (Residue numbers in the .top are not numbered consecutively from 1) annalisa bordogna
[gmx-users] Help on Exclusions and 1-4 Interactions feng chen
[gmx-users] Help on Exclusions and 1-4 Interactions Mark Abraham
[gmx-users] HF/6-31G** ESP derived charges to replace PRODRGassigned ones Mark Abraham
[gmx-users] HF/6-31G** ESP derived charges to replace PRODRG assigned ones Ran Friedman, Biochemisches Inst.
[gmx-users] HF/6-31G** ESP derived charges to replace PRODRG assigned ones Ran Friedman, Biochemisches Inst.
[gmx-users] HF/6-31G** ESP derived charges to replace PRODRGassigned ones Lucio Montero
[gmx-users] HF/6-31G** ESP derived charges to replace PRODRGassigned ones Lucio Montero
[gmx-users] HF/6-31G** ESP derived charges to replace PRODRG assigned ones Lucio Ricardo Montero Valenzuela
[gmx-users] HF/6-31G** ESP derived charges to replace PRODRG assigned ones Lucio Ricardo Montero Valenzuela
[gmx-users] HF/6-31G** ESP derived charges to replace PRODRG assigned ones David van der Spoel
[gmx-users] HF/6-31G** ESP derived charges to replace PRODRG assigned ones Lucio Ricardo Montero Valenzuela
[gmx-users] HF/6-31G** ESP derived charges to replace PRODRG assigned ones Josmar R. da Rocha
[gmx-users] HF/6-31G** ESP derived charges to replace PRODRG assigned ones Justin A. Lemkul
[gmx-users] HF/6-31G** ESP derived charges to replace PRODRG assigned ones FyD
[gmx-users] How to calculate the dihedral angle variations ??? Venkat Reddy
[gmx-users] How to calculate the dihedral angle variations ??? Antonia V.
[gmx-users] How to calculate the dihedral angle variations ??? Venkat Reddy
[gmx-users] How to calculate the dihedral angle variations ??? Tsjerk Wassenaar
[gmx-users] How to calculate the dihedral angle variations ??? Venkat Reddy
[gmx-users] How to calculate the dihedral angle variations ??? Dallas B. Warren
[gmx-users] how to find conformational free energy? ajani haresh
[gmx-users] how to find conformational free energy? David van der Spoel
[gmx-users] How to find Enthalpy And Entropy ? ajani haresh
[gmx-users] How to find Enthalpy And Entropy ? Justin A. Lemkul
[gmx-users] How to obtain a approperiate PDB file of DNA? li ming
[gmx-users] How to obtain a approperiate PDB file of DNA? Mark Abraham
[gmx-users] How to obtain a approperiate PDB file of DNA? li ming
[gmx-users] How to obtain a approperiate PDB file of DNA? Gerrit Groenhof
[gmx-users] How to restrain ligand atom position Hitesh singla
[gmx-users] How to restrain ligand atom position Tsjerk Wassenaar
[gmx-users] How to understand the pull geometry of cylinder lammps lammps
[gmx-users] human readable topology parameters in a top file? Alan
[gmx-users] human readable topology parameters in a top file? Mark Abraham
[gmx-users] Re: human readable topology parameters in a top file? Vitaly V. Chaban
[gmx-users] Hw to use the G_anaeig.................? ajani haresh
[gmx-users] Hw to use the G_anaeig.................? David van der Spoel
[gmx-users] Hydrogen bonds from interface - gOH(z) Eudes Fileti
[gmx-users] Identical energies generated in a rerun calculation ... but ... Mark Abraham
[gmx-users] Identical energies generated in a rerun calculation ... but ... Mark Abraham
[gmx-users] Identical energies generated in a rerun calculation ... but ... Mark Abraham
[gmx-users] Identical energies generated in a rerun calculation ... but ... Berk Hess
[gmx-users] Identical energies generated in a rerun calculation ... but ... Berk Hess
[gmx-users] Identical energies generated in a rerun calculation ... but ... Mark Abraham
[gmx-users] Identical energies generated in a rerun calculation ... but ... Mark Abraham
[gmx-users] Identical energies generated in a rerun calculation ... but ... Justin A. Lemkul
[gmx-users] Identical energies generated in a rerun calculation ... but ... David van der Spoel
[gmx-users] Identical energies generated in a rerun calculation ... but ... Mark Abraham
[gmx-users] Identical energies generated in a rerun calculation ... but ... Luca Mollica
[gmx-users] identical energies in a rerun calculation Rebeca García Fandiño
[gmx-users] Implicit Solvent System - Energy Minimization Grace Tang
[gmx-users] Implicit Solvent System - Energy Minimization Mark Abraham
[gmx-users] Implicit Solvent System - Energy Minimization Grace Tang
[gmx-users] Implicit Solvent System - Energy Minimization Mark Abraham
[gmx-users] improper dihedrals for OPLS parksh at northwestern.edu
[gmx-users] Inclusion of position_restraints Tsjerk Wassenaar
[gmx-users] input the .gro and .trr file to the VMD Mark Abraham
[gmx-users] input the .gro and .trr file to the VMD He, Yang
[gmx-users] input the .gro and .trr file to the VMD Dallas B. Warren
[gmx-users] input the .gro and .trr file to the VMD He, Yang
[gmx-users] install problem Hongyan Xiao
[gmx-users] install problem Roland Schulz
[gmx-users] Installing topolbuild Bruce D. Ray
[gmx-users] intermolecular distance restraint warren deng
[gmx-users] intermolecular distance restraint Mark Abraham
[gmx-users] intermolecular distance restraint warren deng
[gmx-users] intermolecular distance restraint Jochen Hub
[gmx-users] intermolecular distance restraint warren deng
[gmx-users] intermolecular distance restraints warren deng
[gmx-users] Invitation to connect on LinkedIn Anil Kumar
[gmx-users] Issues with my PDB file Jacob Harvey
[gmx-users] Issues with my PDB file Justin A. Lemkul
[gmx-users] Issues with my PDB file Justin A. Lemkul
[gmx-users] Issues with my PDB file Mark Abraham
[gmx-users] itp for rigid acetone Xin Liu
[gmx-users] LINCS warnings generated in NPT ensemble and not in NVT Mark Abraham
[gmx-users] LINCS warnings generated in NPT ensemble and not in NVT Lee Soin
[gmx-users] LINCS warnings generated in NPT ensemble and not in NVT Lee Soin
[gmx-users] localp Cheong Wee Loong, Daniel
[gmx-users] md error message Antonia V.
[gmx-users] md error message Mark Abraham
[gmx-users] md.mdp query akalabya bissoyi
[gmx-users] md.mdp query Höfling Martin
[gmx-users] md.mdp query Antonia V.
[gmx-users] mdrun error Sheetal Arora
[gmx-users] mdrun error Pawan Kumar
[gmx-users] mdrun error Justin A. Lemkul
[gmx-users] mdrun_mpi error Signal: Segmentation fault nam kim
[gmx-users] mdrun_mpi error Signal: Segmentation fault Justin A. Lemkul
[gmx-users] mdrun_mpi error Signal: Segmentation fault nam kim
[gmx-users] mdrun_mpi error Signal: Segmentation fault Justin A. Lemkul
[gmx-users] mdrun_mpi error Signal: Segmentation fault annalisa bordogna
[gmx-users] mdrun_mpi error Signal: Segmentation fault nam kim
[gmx-users] Re: Membrane protein tutoria chris.neale at utoronto.ca
[gmx-users] Re: Membrane protein tutoria Pawan Kumar
[gmx-users] Membrane protein tutorial Justin A. Lemkul
[gmx-users] Membrane protein tutorial Tsjerk Wassenaar
[gmx-users] Membrane protein tutorial Stephane Abel
[gmx-users] Membrane protein tutorial Justin A. Lemkul
[gmx-users] Membrane protein tutorial Tsjerk Wassenaar
[gmx-users] Membrane protein tutorial Justin A. Lemkul
[gmx-users] Membrane protein tutorial Pawan Kumar
[gmx-users] Membrane protein tutorial Dallas B. Warren
[gmx-users] Membrane protein tutorial Mark Abraham
[gmx-users] Membrane protein tutorial Pawan Kumar
[gmx-users] Membrane protein tutorial Pawan Kumar
[gmx-users] Membrane protein tutorial Mark Abraham
[gmx-users] Membrane protein tutorial Pawan Kumar
[gmx-users] Membrane protein tutorial Mark Abraham
[gmx-users] Membrane protein tutorial Justin A. Lemkul
[gmx-users] Membrane protein tutorial Pawan Kumar
[gmx-users] Membrane protein tutorial Mark Abraham
[gmx-users] Membrane protein tutorial Justin A. Lemkul
[gmx-users] Mg ion not recognize. akalabya bissoyi
[gmx-users] Mg ion not recognize. Mark Abraham
[gmx-users] Mg ion not recognize. Tsjerk Wassenaar
[gmx-users] minimisation converted into machine precision nitu sharma
[gmx-users] minimisation converted into machine precision Mark Abraham
[gmx-users] missing interactions for the LJ-decoupled molecule during free energy in parallel but not serial Berk Hess
[gmx-users] missing interactions for the LJ-decoupled molecule during free energy in parallel but not serial chris.neale at utoronto.ca
[gmx-users] missing interactions for the LJ-decoupled molecule during free energy in parallel but not serial Chris Neale
[gmx-users] Missing VdW Parameters darrellk at ece.ubc.ca
[gmx-users] Missing VdW Parameters David van der Spoel
[gmx-users] Missing VdW Parameters darrellk at ece.ubc.ca
[gmx-users] Missing VdW Parameters darrellk at ece.ubc.ca
[gmx-users] Mopac7 / Gromacs 4.0.4 Issues Matthew Lardy
[gmx-users] NAN at high temperatures and high pressures Popov Konstantin
[gmx-users] NAN at high temperatures and high pressures David van der Spoel
[gmx-users] NAN at high temperatures and high pressures Justin A. Lemkul
[gmx-users] NEUTRALISED CHARGES akalabya bissoyi
[gmx-users] NEUTRALISED CHARGES Pawan Kumar
[gmx-users] NEUTRALISED CHARGES Justin A. Lemkul
[gmx-users] NEUTRALISED CHARGES Marius Retegan
[gmx-users] NEUTRALISED CHARGES Justin A. Lemkul
[gmx-users] New topology generation tool available Justin A. Lemkul
[gmx-users] No such moleculetype Na swatik at ncbs.res.in
[gmx-users] No such moleculetype Na Tsjerk Wassenaar
[gmx-users] No such moleculetype Na swatik at ncbs.res.in
[gmx-users] No such moleculetype Na Tsjerk Wassenaar
[gmx-users] No such moleculetype Na swatik at ncbs.res.in
[gmx-users] No such moleculetype Na swatik at ncbs.res.in
[gmx-users] Non-equilibrium Viscosity Calculation Yanmei Song
[gmx-users] Non-equilibrium Viscosity Calculation David van der Spoel
[gmx-users] Non-equilibrium Viscosity Calculation Yanmei Song
[gmx-users] Non-equilibrium Viscosity Calculation David van der Spoel
[gmx-users] Non-equilibrium Viscosity Calculation Yanmei Song
[gmx-users] Non-equilibrium Viscosity Calculation David van der Spoel
[gmx-users] Non-equilibrium Viscosity Calculation Yanmei Song
[gmx-users] Non-equilibrium Viscosity Calculation David van der Spoel
[gmx-users] Non-equilibrium Viscosity Calculation Yanmei Song
[gmx-users] np command with GROMACS 4.0.4 Halie Shah
[gmx-users] np command with GROMACS 4.0.4 Justin A. Lemkul
[gmx-users] np command with GROMACS 4.0.4 David van der Spoel
[gmx-users] np command with GROMACS 4.0.4 kyungchan chae
[gmx-users] Re: np command with GROMACS 4.0.4 Vitaly V. Chaban
[gmx-users] obtaining a pdb after a simulation with ffamber Serena Leone
[gmx-users] obtaining a pdb after a simulation with ffamber Mark Abraham
[gmx-users] OPLS-AA forcefield parameters Jacob Harvey
[gmx-users] OPLS-AA forcefield parameters Justin A. Lemkul
[gmx-users] OPLS-AA forcefield parameters Jacob Harvey
[gmx-users] OPLS-AA forcefield parameters Justin A. Lemkul
[gmx-users] OPLS-AA forcefield parameters Justin A. Lemkul
[gmx-users] oxygen itp Sunil Thapa
[gmx-users] oxygen itp Justin A. Lemkul
[gmx-users] partial charge on protein Homa Azizian
[gmx-users] partial charge on protein Justin A. Lemkul
[gmx-users] partial charge on protein Homa Azizian
[gmx-users] partial charge on protein Justin A. Lemkul
[gmx-users] partial charge on protein Homa Azizian
[gmx-users] partial charge on protein Mark Abraham
[gmx-users] pdb file and force filed Bhawana Gupta
[gmx-users] pdb file and force filed Pawan Kumar
[gmx-users] pdb file and force filed Mark Abraham
[gmx-users] Re:pdb files and force field Bhawana Gupta
[gmx-users] Re:pdb files and force field Justin A. Lemkul
[gmx-users] PDB structure quality Chih-Ying Lin
[gmx-users] PDB structure quality Mark Abraham
[gmx-users] Re: PDB structure quality Alan
[gmx-users] PMF a straight line with PULL Michiel van Lun
[gmx-users] PMF calculation using pull code (constraint force method): constrained atom seems to be moving Nickle Fan
[gmx-users] PMF calculation using pull code (constraint force method): constrained atom seems to be moving chris.neale at utoronto.ca
[gmx-users] Pressure Coupling Problem Joe Joe
[gmx-users] Pressure Coupling Problem chris.neale at utoronto.ca
[gmx-users] Pressure Coupling Problem Joe Joe
[gmx-users] Pressure Coupling Problem chris.neale at utoronto.ca
[gmx-users] Pressure Coupling Problem Joe Joe
[gmx-users] Pressure Coupling Problem chris.neale at utoronto.ca
[gmx-users] Pressure Coupling Problem Justin A. Lemkul
[gmx-users] Pressure Coupling Problem Roland Schulz
[gmx-users] Pressure Coupling Problem Joe Joe
[gmx-users] Pressure Coupling Problem Joe Joe
[gmx-users] Pressure Coupling Problem Joe Joe
[gmx-users] Pressure Coupling Problem Joe Joe
[gmx-users] Pressure Coupling Problem Justin A. Lemkul
[gmx-users] Pressure Coupling Problem Joe Joe
[gmx-users] Pressure Coupling Problem Chris Neale
[gmx-users] Pressure Coupling Problem Joe Joe
[gmx-users] Pressure Coupling Problem chris.neale at utoronto.ca
[gmx-users] Pressure Coupling Problem Joe Joe
[gmx-users] Pressure Coupling Problem Lucio Montero
[gmx-users] Probably a bug in nstenergy? Lee Soin
[gmx-users] Probably a bug in nstenergy? David van der Spoel
[gmx-users] Probably a bug in nstenergy? Mark Abraham
[gmx-users] Probably a bug in nstenergy? Lee Soin
[gmx-users] Probably a bug in nstenergy? Mark Abraham
[gmx-users] problem during inflatgro process nitu sharma
[gmx-users] problem during inflatgro process Tsjerk Wassenaar
[gmx-users] problem in applying position restrain on protein nitu sharma
[gmx-users] problem in applying position restrain on protein Justin A. Lemkul
[gmx-users] Problem in applying postion restrain on protein nitu sharma
[gmx-users] Problem in applying postion restrain on protein Mark Abraham
[gmx-users] problem in energy minimisation nitu sharma
[gmx-users] problem in energy minimisation Justin A. Lemkul
[gmx-users] problem in energy minimisation Pawan Kumar
[gmx-users] problem in energy minimisation during inflategro process. nitu sharma
[gmx-users] problem in energy minimisation during inflategro process. Mark Abraham
[gmx-users] problem in energy minimisation during inflategro process. Tsjerk Wassenaar
[gmx-users] problem in energy minimization Abhik Mukhopadhyay
[gmx-users] problem in increasing lipid bilayer size and to know about net charge on protein Pär Bjelkmar
[gmx-users] problem in increasing lipid bilayer size and to know about net charge on protein nitu sharma
[gmx-users] problem in increasing lipid bilayer size and to know about net charge on protein Justin A. Lemkul
[gmx-users] problem in insertion of protein into lipid bilayer in proper orientation Justin A. Lemkul
[gmx-users] problem in insertion of protein into lipid bilayer in proper orientation nitu sharma
[gmx-users] problem in insertion of protein into lipid bilayer in proper orientation chris.neale at utoronto.ca
[gmx-users] problem in making topology file for protein inlipid bilayer nitu sharma
[gmx-users] problem in making topology file for protein inlipid bilayer Mark Abraham
[gmx-users] problem in pulling in gromacs 4.03 anirban polley
[gmx-users] problem in pulling in gromacs 4.03 Berk Hess
[gmx-users] RE: problem in pulling in gromacs 4.03 Thomas Schlesier
[gmx-users] problem in topology file for protein+lipid bilayer system nitu sharma
[gmx-users] problem in topology file for protein+lipid bilayer system Justin A. Lemkul
[gmx-users] problem in topology file for protein+lipid bilayer system Dallas B. Warren
[gmx-users] problem in topology file of protein-lipid bilayer system for grompp nitu sharma
[gmx-users] problem in topology file of protein-lipid bilayer system for grompp Mark Abraham
[gmx-users] problem with genbox -ci option Ken Rotondi
[gmx-users] problem with genbox -ci option Justin A. Lemkul
[gmx-users] problem with genbox -ci option Ken Rotondi
[gmx-users] problem with genbox -ci option Justin A. Lemkul
[gmx-users] problem with genbox -ci option Ken Rotondi
[gmx-users] problem with genbox -ci option Justin A. Lemkul
[gmx-users] problem with genbox -ci option Ken Rotondi
[gmx-users] Problem with grompp? Hoof, B. van
[gmx-users] Problem with grompp? Justin A. Lemkul
[gmx-users] Problem with grompp? Hoof, B. van
[gmx-users] Problem with grompp? Tsjerk Wassenaar
[gmx-users] Problem with grompp? Hoof, B. van
[gmx-users] Problem with grompp? Tsjerk Wassenaar
[gmx-users] problem with the calculation of a propene molecule Saskia Frenzel
[gmx-users] problem with the calculation of a propene molecule Mark Abraham
[gmx-users] Problems with Jacobi diagonalization Dayle Smith
[gmx-users] Problems with Jacobi diagonalization Tsjerk Wassenaar
[gmx-users] Problems with Jacobi diagonalization Dayle Smith
[gmx-users] Problems with Jacobi diagonalization Justin A. Lemkul
[gmx-users] Problems with Jacobi diagonalization Dayle Smith
[gmx-users] Problems with Jacobi diagonalization Justin A. Lemkul
[gmx-users] Problems with Jacobi diagonalization Mark Abraham
[gmx-users] Problems with Jacobi diagonalization TJ Piggot
[gmx-users] Problems with Jacobi diagonalization Dayle Smith
[gmx-users] Problems with Jacobi diagonalization Tsjerk Wassenaar
[gmx-users] Problems with Jacobi diagonalization Dayle Smith
[gmx-users] Problems with Jacobi diagonalization Justin A. Lemkul
[gmx-users] problems with my PDB file Jacob Harvey
[gmx-users] problems with my PDB file Joshua Adelman
[gmx-users] prolems on viewing .trr file by vmd Hongyan Xiao
[gmx-users] prolems on viewing .trr file by vmd Mark Abraham
[gmx-users] pull code absolute reference artifacts chris.neale at utoronto.ca
[gmx-users] pull code absolute reference artifacts rversace at ccny.cuny.edu
[gmx-users] pull code absolute reference artifacts Berk Hess
[gmx-users] pull code absolute reference artifacts chris.neale at utoronto.ca
[gmx-users] Query amit upadhyay
[gmx-users] query Sheetal Arora
[gmx-users] query Mark Abraham
[gmx-users] query regarding coming out of ligand from protein during simulation sangeeta kundu
[gmx-users] query regarding coming out of ligand from protein during simulation Justin A. Lemkul
[gmx-users] Re: Questions Tsjerk Wassenaar
[gmx-users] Re: Questions Chih-Ying Lin
[gmx-users] Re: Questions David van der Spoel
[gmx-users] Re: Questions Tsjerk Wassenaar
[gmx-users] questions regarding Replica Exchange sarbani chattopadhyay
[gmx-users] questions regarding Replica Exchange David van der Spoel
[gmx-users] Radial orientation distribution in cylindrical geometry Zuowei Wang
[gmx-users] Regarding RMSF ! Venkat Reddy
[gmx-users] Regarding RMSF ! Mark Abraham
[gmx-users] Release of R.E.D. Server FyD
[gmx-users] Release of R.E.D. Server Joe Joe
[gmx-users] Release of R.E.D. Server FyD
[gmx-users] Remove the water from the crystal structure of Protein in PDB file Chih-Ying Lin
[gmx-users] Remove the water from the crystal structure of Protein in PDB file Mark Abraham
[gmx-users] Replica Exchange Error Joe Joe
[gmx-users] Replica Exchange Error Justin A. Lemkul
[gmx-users] Replica Exchange Error Joe Joe
[gmx-users] Replica Exchange Error Justin A. Lemkul
[gmx-users] Replica Exchange Error Joe Joe
[gmx-users] Replica Exchange Error Roland Schulz
[gmx-users] Replica Exchange Error Justin A. Lemkul
[gmx-users] Replica Exchange Error Joe Joe
[gmx-users] Replica Exchange Error Mark Abraham
[gmx-users] Replica Exchange Error Joe Joe
[gmx-users] Replica Exchange Error Mark Abraham
[gmx-users] Replica Exchange Error Joe Joe
[gmx-users] Resizing membrane (dopc, berger) shayamra at post.tau.ac.il
[gmx-users] Resizing membrane (dopc, berger) chris.neale at utoronto.ca
[gmx-users] Resizing membrane (dopc, berger) shayamra at post.tau.ac.il
[gmx-users] restart problem kyungchan chae
[gmx-users] restrict two atoms in a group using freezegrps He, Yang
[gmx-users] restrict two atoms in a group using freezegrps Justin A. Lemkul
[gmx-users] restrict two atoms in a group using freezegrps He, Yang
[gmx-users] restrict two atoms in a group using freezegrps Justin A. Lemkul
[gmx-users] RMSD of Aminoacids Andy Torres
[gmx-users] RMSD of Aminoacids Mark Abraham
[gmx-users] say something about the pull geometry of cylinder lammps lammps
[gmx-users] say something about the pull geometry of cylinder Dallas B. Warren
[gmx-users] Shake block crossing node boundaries Suman Chakrabarty
[gmx-users] Shake block crossing node boundaries David van der Spoel
[gmx-users] shell molecular dynamics Shuangxing Dai
[gmx-users] shell molecular dynamics David van der Spoel
[gmx-users] shell molecular dynamics Shuangxing Dai
[gmx-users] shell molecular dynamics David van der Spoel
[gmx-users] Shift Electrostatic Summation Shuangxing Dai
[gmx-users] Shift Electrostatic Summation David van der Spoel
[gmx-users] Shift Electrostatic Summation Mark Abraham
[gmx-users] Shift Electrostatic Summation Shuangxing Dai
[gmx-users] Shift Electrostatic Summation Mark Abraham
[gmx-users] Shift Electrostatic Summation Shuangxing Dai
[gmx-users] Shift Electrostatic Summation Mark Abraham
[gmx-users] Shift Electrostatic Summation David van der Spoel
[gmx-users] Shift Electrostatic Summation Shuangxing Dai
[gmx-users] Si-O-Si angle calculation with g_angle Tandia, Adama
[gmx-users] Si-O-Si angle calculation with g_angle David van der Spoel
[gmx-users] solvent density around protein Morteza Khabiri
[gmx-users] solvent density around protein Matt Wyczalkowski
[gmx-users] Steepest Descents converged to machine precision nitu sharma
[gmx-users] Steepest Descents converged to machine precision Mark Abraham
[gmx-users] Steepest Descents converged to machine precision nitu sharma
[gmx-users] Steepest Descents converged to machine precision Mark Abraham
[gmx-users] steepest descents converged to machine precision in several steps. Mark Abraham
[gmx-users] steepest descents converged to machine precision in several steps. nitu sharma
[gmx-users] strange behavior upon compiling 4.0.4 Ken Rotondi
[gmx-users] strange behavior upon compiling 4.0.4 David van der Spoel
[gmx-users] strange behavior upon compiling 4.0.4 Justin A. Lemkul
[gmx-users] strange behavior upon compiling 4.0.4 Ken Rotondi
[gmx-users] T-Coupling group Protein has fewer than 10% of the atoms David van der Spoel
[gmx-users] T-Coupling group Protein has fewer than 10% of the atoms akalabya bissoyi
[gmx-users] Temperature in Brownian Dynamics simulation Suman Chakrabarty
[gmx-users] Temperature in Brownian Dynamics simulation Mark Abraham
[gmx-users] Temperature in Brownian Dynamics simulation Suman Chakrabarty
[gmx-users] Temperature in Brownian Dynamics simulation Suman Chakrabarty
[gmx-users] Temperature in Brownian Dynamics simulation Justin A. Lemkul
[gmx-users] Temperature in Brownian Dynamics simulation Suman Chakrabarty
[gmx-users] testing gromacs installation gmx-4.0.4; failures; success? Y. U. Sasidhar
[gmx-users] Thank you Jessé Nóbrega
[gmx-users] The free energy calculation in Manual Chapter 4 Chih-Ying Lin
[gmx-users] the position_restraints He, Yang
[gmx-users] the position_restraints Justin A. Lemkul
[gmx-users] the position_restraints He, Yang
[gmx-users] the position_restraints Justin A. Lemkul
[gmx-users] the position_restraints He, Yang
[gmx-users] the position_restraints Justin A. Lemkul
[gmx-users] the position_restraints Mark Abraham
[gmx-users] the position_restraints XAvier Periole
[gmx-users] the reson for neutralizing the charge Homa Azizian
[gmx-users] the reson for neutralizing the charge Mark Abraham
[gmx-users] the reson for neutralizing the charge Berk Hess
[gmx-users] the reson for neutralizing the charge hazizian
[gmx-users] the reson for neutralizing the charge Justin A. Lemkul
[gmx-users] the reson for neutralizing the charge hazizian
[gmx-users] the vdw and electrostatic energy Dechang Li
[gmx-users] the vdw and electrostatic energy Ran Friedman
[gmx-users] Re:Re: the vdw and electrostatic energy (Ran Friedman) Dechang Li
[gmx-users] Re:Re: the vdw and electrostatic energy (Ran Friedman) Ran Friedman
[gmx-users] The way how to restrict atoms in gromacs He, Yang
[gmx-users] The way how to restrict atoms in gromacs Mark Abraham
[gmx-users] Re:The X-size of the box times triclinic skew factor wuxiao
[gmx-users] Re:The X-size of the box times triclinic skew factor Mark Abraham
[gmx-users] Thermodynamic integration with Martini force field Carola vonDeuster
[gmx-users] tip5p water model with 53a5 wei yang
[gmx-users] tip5p water model with 53a5 Justin A. Lemkul
[gmx-users] too_low_temperature Sang-Min Park
[gmx-users] too_low_temperature Mark Abraham
[gmx-users] Topologies and charges for large organic ligands Dean Cuebas
[gmx-users] Topologies and charges for large organic ligands Ran Friedman
[gmx-users] topology for oxygen molecule Sunil Thapa
[gmx-users] topology for oxygen molecule Justin A. Lemkul
[gmx-users] topology for oxygen molecule Chris Neale
[gmx-users] trajectory file not moving in vmd Halie Shah
[gmx-users] trajectory file not moving in vmd Justin A. Lemkul
[gmx-users] transport properties oguz gurbulak
[gmx-users] transport properties kyungchan chae
[gmx-users] transport properties oguz gurbulak
[gmx-users] RE: transport properties Vitaly V. Chaban
[gmx-users] Re:trestart Sunil Thapa
[gmx-users] Re:trestart David van der Spoel
[gmx-users] unknown atom type HW nitu sharma
[gmx-users] unknown atom type HW Justin A. Lemkul
[gmx-users] unknown atom type HW Kevin Channon
[gmx-users] validating gromacs installation 4.0.4 Y. U. Sasidhar
[gmx-users] validating gromacs installation 4.0.4 Rafael R. Pappalardo
[gmx-users] visualize atom number backbone shahrbanoo karbalaee
[gmx-users] visualize atom number backbone Mark Abraham
[gmx-users] Water models for amber03 Alan
[gmx-users] Water models for amber03 Berk Hess
[gmx-users] what is meaning of vol 0.95 imb F 1%? wuxiao
[gmx-users] what is meaning of vol 0.95 imb F 1%? Mark Abraham
[gmx-users] what is meaning of vol 0.95 imb F 1%? Berk Hess
[gmx-users] What's the max number of pull groups? LuLanyuan
[gmx-users] What's the max number of pull groups? Berk Hess
[gmx-users] What's the max number of pull groups? LuLanyuan
[gmx-users] which structure in NPT MD trjectory should be chosen to start another NVT MD? Mark Abraham
[gmx-users] which structure in NPT MD trjectory should be chosen to start another NVT MD? wuxiao
[gmx-users] x2top & Encad all-atom force field (vacuum) darrellk at ece.ubc.ca
[gmx-users] x2top & Encad all-atom force field (vacuum) darrellk at ece.ubc.ca
[gmx-users] x2top & Encad all-atom force field (vacuum) David van der Spoel
[gmx-users] x2top & Encad all-atom force field (vacuum) darrellk at ece.ubc.ca
[gmx-users] x2top & Encad all-atom force field (vacuum) Justin A. Lemkul
[gmx-users] x2top & Encad all-atom force field (vacuum) David van der Spoel
[gmx-users] x2top & Encad all-atom force field (vacuum) Justin A. Lemkul
[gmx-users] x2top & Encad all-atom force field (vacuum) not recognizing bonds David van der Spoel
[gmx-users] x2top & Encad all-atom force field (vacuum) not recognizing bonds darrellk at ece.ubc.ca
[gmx-users] x2top: duplicate bond, angle, & dihedral parameters; missing VdW parameters darrellk at ece.ubc.ca
[gmx-users] x2top: duplicate bond, angle, & dihedral parameters; missing VdW parameters David van der Spoel
[gmx-users] XTC.error David van der Spoel
[gmx-users] XTC.error He, Yang
[gmx-users] XTC.error Mark Abraham
[gmx-users] XTC.error He, Yang

Last message date: Thu Apr 30 22:29:01 CEST 2009
Archived on: Thu Nov 14 12:06:41 CET 2013

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

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