November 2008 Archives by thread

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Starting: Sat Nov 1 01:38:19 CET 2008
Ending: Sun Nov 30 16:04:06 CET 2008
Messages: 800

• [gmx-users] Persistent crashes due to unsettled waters   Aaron Fafarman
  • [gmx-users] Persistent crashes due to unsettled waters   Justin A. Lemkul
• [gmx-users] vsite problem in gromacs 4.0   zazeri
• [gmx-users] Re: Disulfide bond in Martini Coarse Grain   Myunggi Yi
• [gmx-users] Re: Sorry   Alif M Latif
  • [gmx-users] Re: Sorry   Justin A. Lemkul
• [gmx-users] Martini ff.   DAVID RINCON
  • [gmx-users] Martini ff.   Justin A. Lemkul
• [gmx-users] Gromacs 4 for SunOS   DimitryASuplatov
  • [gmx-users] Gromacs 4 for SunOS   Mark Abraham
• [gmx-users] pdb file   He, Yang
  • [gmx-users] pdb file   Mark Abraham
• [gmx-users] pair forces   Inon Sharony
  • [gmx-users] pair forces   Mark Abraham
• [gmx-users] seek for forcefield parameters   Jinyao Wang
  • [gmx-users] seek for forcefield parameters   Justin A. Lemkul
• [gmx-users] problem with g_dist (probably solved)   Thomas Schlesier
  • [gmx-users] problem with g_dist (probably solved)   Tsjerk Wassenaar
• [gmx-users] Re: Persistent crashes due to unsettled waters   Aaron Fafarman
  • [gmx-users] Re: Persistent crashes due to unsettled waters   Mark Abraham
• [gmx-users] surface simulation   Hongyan Xiao
  • [gmx-users] surface simulation   Mark Abraham
• [gmx-users] CCl4 parameters problem   Hongyan Xiao
  • [gmx-users] CCl4 parameters problem   Justin A. Lemkul
• [gmx-users] CCl4 parameters   Hongyan Xiao
  • [gmx-users] CCl4 parameters   Justin A. Lemkul
• [gmx-users] surface simulation   Hongyan Xiao
  • [gmx-users] surface simulation   Mark Abraham
• [gmx-users] ionic liquid   naimah haron naimah
  • [gmx-users] ionic liquid   Jones de Andrade
• [gmx-users] email   naimah haron naimah
• [gmx-users] help- ionic liquid   naimah haron naimah
  • [gmx-users] help- ionic liquid   Mark Abraham
• [gmx-users] ready topology for ionic liquid?   naimah haron naimah
• [gmx-users] problem with lamboot   sarbani chattopadhyay
  • [gmx-users] problem with lamboot   Carsten Kutzner
• [gmx-users] periodic boundary conditions in g_rdf   Berk Hess
• [gmx-users] Fwd: still problem with lamboot   sarbani chattopadhyay
  • [gmx-users] Fwd: still problem with lamboot   Carsten Kutzner
• [gmx-users] GROMOS [BMIM][PF6] and [BMIM][NO3] Ionic liquid force field   Nuno Micaelo
• Sv: Re: [gmx-users] surface simulation   Peter Ahlström
• [gmx-users] about PMF calculation   chiloo Laohpongspaisan
  • [gmx-users] about PMF calculation   Xavier Periole
• [gmx-users] partial charges, editconf -grasp   Una Bjarnadottir
  • [gmx-users] partial charges, editconf -grasp   Justin A. Lemkul
• [gmx-users] Problems of test particle insertion with gromacs 4.0   Zhang Zhigang
  • [gmx-users] Problems of test particle insertion with gromacs 4.0   Berk Hess
• [gmx-users] g_potential   minnale
  • [gmx-users] g_potential   Justin A. Lemkul
• [gmx-users] gromacs-4: statring in parallel on solaris 8   DimitryASuplatov
  • [gmx-users] gromacs-4: statring in parallel on solaris 8   Justin A. Lemkul
    • [gmx-users] gromacs-4: statring in parallel on solaris 8   Berk Hess
      • [gmx-users] gromacs-4: statring in parallel on solaris 8   DimitryASuplatov
      • [gmx-users] gromacs-4: statring in parallel on solaris 8   Roland Schulz
• [gmx-users] periodic boundary conditions in g_rdf   ilhan favela
• [gmx-users] running a simulation without production   Zuzana Benkova
  • [gmx-users] running a simulation without production   Mark Abraham
    • [gmx-users] running a simulation without production   Zuzana Benkova
      • [gmx-users] running a simulation without production   Zuzana Benkova
      • [gmx-users] running a simulation without production   Mark Abraham
  • [gmx-users] running a simulation without production   Zuzana Benkova
• [gmx-users] question about default parameter for g_hbond   Thomas Schlesier
  • [gmx-users] question about default parameter for g_hbond   Xavier Periole
  • [gmx-users] question about default parameter for g_hbond   Andreas Kring
• [gmx-users] doubt about the ffencadv.rtp   Serena Leone
  • [gmx-users] doubt about the ffencadv.rtp   Mark Abraham
• [gmx-users] the mdp file   He, Yang
  • [gmx-users] the mdp file   Justin A. Lemkul
    • [gmx-users] the mdp file   He, Yang
• [gmx-users] Header present but cannot be compiled   DimitryASuplatov
  • [gmx-users] Re: Header present but cannot be compiled   DimitryASuplatov
• [gmx-users] Re: gmx-users Digest, Vol 55, Issue 11   Thomas Schlesier
• [gmx-users] vsite problem in gromacs 4.0   zazeri
  • [gmx-users] vsite problem in gromacs 4.0   Berk Hess
• [gmx-users] question about default parameter for g_hbond   Thomas Schlesier
• [gmx-users] Gromacs-4.0: 4 CPUs crashes, works on 1 CPU   Andreas Kring
  • [gmx-users] Gromacs-4.0: 4 CPUs crashes, works on 1 CPU   Andreas Kring
  • [gmx-users] Gromacs-4.0: 4 CPUs crashes, works on 1 CPU   Berk Hess
    • [gmx-users] Gromacs-4.0: 4 CPUs crashes, works on 1 CPU   Andreas Kring
• [gmx-users] how to compute the shear viscosity   Jinyao Wang
• [gmx-users] Problem with setting vsite=aromatics on OPLSAA   DimitryASuplatov
  • [gmx-users] Problem with setting vsite=aromatics on OPLSAA   Berk Hess
    • [gmx-users] Problem with setting vsite=aromatics on OPLSAA   Berk Hess
• [gmx-users] RE: Problem with setting vsite=aromatics on OPLSAA   DimitryASuplatov
  • [gmx-users] RE: Problem with setting vsite=aromatics on OPLSAA   Berk Hess
• [gmx-users] RE: vsite problem in gromacs 4.0   chris.neale at utoronto.ca
  • [gmx-users] RE: vsite problem in gromacs 4.0   Berk Hess
• [gmx-users] RE: vsite problem in gromacs 4.0   chris.neale at utoronto.ca
  • [gmx-users] RE: vsite problem in gromacs 4.0   Berk Hess
    • [gmx-users] RE: vsite problem in gromacs 4.0   Daniel Larsson
      • [gmx-users] RE: vsite problem in gromacs 4.0   Berk Hess
      • [gmx-users] RE: vsite problem in gromacs 4.0   Daniel Larsson
  • [gmx-users] GMX_MAXCONSTWARN variable   zazeri
    • [gmx-users] GMX_MAXCONSTWARN variable   Martin Höfling
• [gmx-users] Problems with grompp and posre.itp in gromacs 4.0   Nuno Azoia
  • [gmx-users] Problems with grompp and posre.itp in gromacs 4.0   Justin A. Lemkul
• [gmx-users] the mdp file   Justin A. Lemkul
• [gmx-users] the mdp file   Justin A. Lemkul
• [gmx-users] the mdp file   Justin A. Lemkul
• [gmx-users] how to carry out the NEMD with gromacs to compute the shear viscosity   Jinyao Wang
  • [gmx-users] how to carry out the NEMD with gromacs to compute the shear viscosity   Mark Abraham
• [gmx-users] grompp error   supti mukherjee
  • [gmx-users] grompp error   Berk Hess
    • [gmx-users] grompp error   Tsjerk Wassenaar
  • [gmx-users] grompp error   Tsjerk Wassenaar
• [gmx-users] tip3p.itp => OWT3, HW vs. ffG53a6nb.itp => OW, H   Chih-Ying Lin
  • [gmx-users] tip3p.itp => OWT3, HW vs. ffG53a6nb.itp => OW, H   Justin A. Lemkul
• [gmx-users] Re: writing checkpoint   xianghong qi
  • [gmx-users] Re: writing checkpoint   Berk Hess
    • [gmx-users] Re: writing checkpoint   xianghong qi
      • [gmx-users] Re: writing checkpoint   Berk Hess
      • [gmx-users] Re: writing checkpoint   xianghong qi
• [gmx-users] more than 12 triclinic correction vecotrs   Jörn-Holger Franke
  • [gmx-users] more than 12 triclinic correction vecotrs   Berk Hess
• [gmx-users] more than 12 triclinic correction vecotrs   Jörn-Holger Franke
• [gmx-users] Problems with grompp and posre.itp in gromacs 4.0   Justin A. Lemkul
  • [gmx-users] Problems with grompp and posre.itp in gromacs 4.0   Nuno Azoia
    • [gmx-users] Problems with grompp and posre.itp in gromacs 4.0   Justin A. Lemkul
      • [gmx-users] Problems with grompp and posre.itp in gromacs 4.0   Berk Hess
      • [gmx-users] Problems with grompp and posre.itp in gromacs 4.0   Nuno Azoia
      • [gmx-users] Problems with grompp and posre.itp in gromacs 4.0   Berk Hess
• [gmx-users] ions.itp => no BR- ion defined (FF_Gromos 96)   Chih-Ying Lin
  • [gmx-users] ions.itp => no BR- ion defined (FF_Gromos 96)   Justin A. Lemkul
• [gmx-users] Compiling Gromacs 4 using Intel Compilers   Mike Hanby
  • [gmx-users] Compiling Gromacs 4 using Intel Compilers   Mark Abraham
• [gmx-users] Re: density vs time?   xianghong qi
  • [gmx-users] Re: density vs time?   Justin A. Lemkul
    • [gmx-users] Re: density vs time?   xianghong qi
      • [gmx-users] Re: density vs time?   Justin A. Lemkul
      • [gmx-users] Re: density vs time?   Justin A. Lemkul
      • [gmx-users] Re: density vs time?   Justin A. Lemkul
      • [gmx-users] Re: density vs time?   xianghong qi
      • [gmx-users] Re: density vs time?   Justin A. Lemkul
  • [gmx-users] Re: density vs time?   Ángel Piñeiro
• [gmx-users] Re: density vs time?   xianghong qi
• [gmx-users] Error with editconf 4.0   Justin A. Lemkul
  • [gmx-users] Error with editconf 4.0   Berk Hess
• [gmx-users] Accessing the distance_restraints energy term   chris.neale at utoronto.ca
  • [gmx-users] Accessing the distance_restraints energy term   Mark Abraham
• [gmx-users] trjconv -f .cpt -s .tpr -o .gro   chris.neale at utoronto.ca
  • [gmx-users] trjconv -f .cpt -s .tpr -o .gro   Berk Hess
• [gmx-users] Accessing the distance_restraints energy term   chris.neale at utoronto.ca
• [gmx-users] problem   Bhawana Gupta
  • [gmx-users] problem   Martin Höfling
• [gmx-users] problem in em.mdp file   Bhawana Gupta
  • [gmx-users] problem in em.mdp file   Mark Abraham
• [gmx-users] Repeating the simulation   Q. Y. HUAN
  • [gmx-users] Repeating the simulation   #NGUYEN CONG TRI#
  • [gmx-users] Repeating the simulation   Jochen Hub
    • [gmx-users] Repeating the simulation   Q. Y. HUAN
      • [gmx-users] Repeating the simulation   Tsjerk Wassenaar
• [gmx-users] problem in prest.mdp file   Bhawana Gupta
  • [gmx-users] problem in prest.mdp file   Jochen Hub
  • [gmx-users] problem in prest.mdp file   Mark Abraham
• [gmx-users] can't find "distclean"   sarbani chattopadhyay
  • [gmx-users] can't find "distclean"   Martin Höfling
• [gmx-users] how much ns   Bhawana Gupta
  • [gmx-users] how much ns   Marc F. Lensink
    • [gmx-users] how much ns   vivek sharma
      • [gmx-users] how much ns   Mark Abraham
• [gmx-users] problem   Bhawana Gupta
  • [gmx-users] problem   Volker Wirth
• [gmx-users] can't find "distclean"   sarbani chattopadhyay
  • [gmx-users] can't find "distclean"   Martin Höfling
• [gmx-users] how much ns-one more question   Bhawana Gupta
  • [gmx-users] how much ns-one more question   Marc F. Lensink
• [gmx-users] can't find "distclean"   sarbani chattopadhyay
• [gmx-users] About the gromacs 4.0 manual and parallel running   Zhang Zhigang
  • [gmx-users] About the gromacs 4.0 manual and parallel running   Andreas Kring
• [gmx-users] problem with openmpi and gromacs4.0   hui sun
  • [gmx-users] problem with openmpi and gromacs4.0   Mike Hanby
  • [gmx-users] problem with openmpi and gromacs4.0   Daniel Larsson
    • [gmx-users] problem with openmpi and gromacs4.0   Berk Hess
• [gmx-users] way to cap C-terminal as CONH2   sarbani chattopadhyay
  • [gmx-users] way to cap C-terminal as CONH2   Justin A. Lemkul
    • [gmx-users] way to cap C-terminal as CONH2   Mark Abraham
• [gmx-users] Interactions between tow chains of a protein   Polavarapu, Abhigna
  • [gmx-users] Interactions between tow chains of a protein   Justin A. Lemkul
• [gmx-users] Mean squared displacement for fast moving particles   ROHIT MALSHE
• [gmx-users] mdp file   He, Yang
  • [gmx-users] mdp file   Mark Abraham
    • [gmx-users] mdp file   He, Yang
      • [gmx-users] mdp file   Mark Abraham
• [gmx-users] Re: .xtc file is incomplete   xianghong qi
  • [gmx-users] Re: .xtc file is incomplete   Justin A. Lemkul
    • [gmx-users] Re: .xtc file is incomplete   xianghong qi
      • [gmx-users] Re: .xtc file is incomplete   Justin A. Lemkul
• [gmx-users] weird behavior of genion in gromacs4   Serena Leone
  • [gmx-users] weird behavior of genion in gromacs4   Justin A. Lemkul
• [gmx-users] Test Set for Gromacs 4?   Mike Hanby
• [gmx-users] rmsd on homologous protein structure   Tatsiana Kirys
  • [gmx-users] rmsd on homologous protein structure   Mark Abraham
    • Re: Re: [gmx-users] rmsd on homologous protein structure   Tatsiana Kirys
  • [gmx-users] rmsd on homologous protein structure   Ran Friedman
• [gmx-users] missing of methyl at N-terminal   Bhawana Gupta
  • [gmx-users] missing of methyl at N-terminal   Mark Abraham
• [gmx-users] How does GROAMCS handle PME with non-zero charge   Himanshu Khandelia
  • [gmx-users] How does GROAMCS handle PME with non-zero charge   Mark Abraham
• [gmx-users] ions.itp => no BR- ion defined (FF_Gromos 96)   Chih-Ying Lin
  • [gmx-users] ions.itp => no BR- ion defined (FF_Gromos 96)   Mark Abraham
• [gmx-users] Water model => amber port to gromacs   Chih-Ying Lin
  • [gmx-users] Water model => amber port to gromacs   Mark Abraham
• [gmx-users] Running MDS over docked poses   vivek sharma
  • [gmx-users] Running MDS over docked poses   Kukol, Andreas
    • [gmx-users] Running MDS over docked poses   vivek sharma
      • [gmx-users] Running MDS over docked poses   Justin A. Lemkul
• [gmx-users] missing of methyl at N-terminal   Bhawana Gupta
  • [gmx-users] missing of methyl at N-terminal   Justin A. Lemkul
  • [gmx-users] missing of methyl at N-terminal   Mark Abraham
• [gmx-users] editconf/genbox problem in Gromacs 4.0   Caterina Arcangeli
  • [gmx-users] editconf/genbox problem in Gromacs 4.0   Berk Hess
  • [gmx-users] editconf/genbox problem in Gromacs 4.0   Xavier Periole
    • [gmx-users] editconf/genbox problem in Gromacs 4.0   Caterina Arcangeli
      • [gmx-users] editconf/genbox problem in Gromacs 4.0   Berk Hess
      • [gmx-users] editconf/genbox problem in Gromacs 4.0   Caterina Arcangeli
• [gmx-users] prodrg   Bhawana Gupta
  • [gmx-users] prodrg   Justin A. Lemkul
• [gmx-users] Spatial distribution   Gadzikano Munyuki
  • [gmx-users] Spatial distribution   Mark Abraham
• [gmx-users] about porse.itp   Bhawana Gupta
  • [gmx-users] about porse.itp   Justin A. Lemkul
• [gmx-users] Misunderstandings with g_rms   DimitryASuplatov
  • [gmx-users] Misunderstandings with g_rms   Jochen Hub
    • [gmx-users] Misunderstandings with g_rms   Mark Abraham
• [gmx-users] MD run, polarizable molecules, EM did not converge   Andreas Kring
• [gmx-users] freeze group gives Segmentation fault   ilona.baldus at bioquant.uni-heidelberg.de
  • [gmx-users] freeze group gives Segmentation fault   Mark Abraham
• [gmx-users] Spatial distribution   chris.neale at utoronto.ca
• [gmx-users] Re: .xtc file is incomplete   chris.neale at utoronto.ca
  • [gmx-users] Re: .xtc file is incomplete   xianghong qi
• [gmx-users] Water model => amber port to gromacs   Chih-Ying Lin
  • [gmx-users] Water model => amber port to gromacs   Justin A. Lemkul
• [gmx-users] Simulation of difloromethane   Polavarapu, Abhigna
  • [gmx-users] Simulation of difloromethane   Justin A. Lemkul
• [gmx-users] g_rms   Tatsiana Kirys
  • [gmx-users] g_rms   Mark Abraham
    • [gmx-users] g_rms   Tsjerk Wassenaar
• [gmx-users] Re: High frequency output slow down the simulation?   xianghong qi
  • [gmx-users] Re: High frequency output slow down the simulation?   Mark Abraham
    • [gmx-users] Re: High frequency output slow down the simulation?   Jussi Lehtola
      • [gmx-users] Re: High frequency output slow down the simulation?   xianghong qi
  • [gmx-users] Re: High frequency output slow down the simulation?   Yang Ye
    • [gmx-users] Re: High frequency output slow down the simulation?   xianghong qi
      • [gmx-users] Re: High frequency output slow down the simulation?   Yang Ye
      • [gmx-users] Re: High frequency output slow down the simulation?   Mark Abraham
• [gmx-users] position restraint and pdb   Bhawana Gupta
  • [gmx-users] position restraint and pdb   Mark Abraham
    • [gmx-users] position restraint and pdb   Tsjerk Wassenaar
      • [gmx-users] position restraint and pdb   Mark Abraham
• [gmx-users] Spatial distribution   Gadzikano Munyuki
• [gmx-users] versiongromacs   shahrbanoo karbalaee
  • [gmx-users] versiongromacs   Justin A. Lemkul
• [gmx-users] version gromacs   shahrbanoo karbalaee
  • [gmx-users] version gromacs   Justin A. Lemkul
• [gmx-users] Is gromacs-4.0.2 finally released?   Jian Zou
• [gmx-users] FATAL ERROR: x2top   Morteza Khabiri
• [gmx-users] Gromacs 4 Scaling Benchmarks...   Yawar JQ
  • [gmx-users] Gromacs 4 Scaling Benchmarks...   Carsten Kutzner
    • [gmx-users] Gromacs 4 Scaling Benchmarks...   vivek sharma
      • [gmx-users] Gromacs 4 Scaling Benchmarks...   Justin A. Lemkul
      • [gmx-users] Gromacs 4 Scaling Benchmarks...   Martin Höfling
      • [gmx-users] Gromacs 4 Scaling Benchmarks...   vivek sharma
      • [gmx-users] Gromacs 4 Scaling Benchmarks...   vivek sharma
      • [gmx-users] Gromacs 4 Scaling Benchmarks...   Mark Abraham
      • [gmx-users] Gromacs 4 Scaling Benchmarks...   Justin A. Lemkul
      • [gmx-users] Gromacs 4 Scaling Benchmarks...   Christian Seifert
      • [gmx-users] Gromacs 4 Scaling Benchmarks...   vivek sharma
      • [gmx-users] Gromacs 4 Scaling Benchmarks...   Mark Abraham
      • [gmx-users] Gromacs 4 Scaling Benchmarks...   Martin Höfling
      • [gmx-users] Gromacs 4 Scaling Benchmarks...   Carsten Kutzner
  • [gmx-users] Gromacs 4 Scaling Benchmarks...   Mike Hanby
• [gmx-users] Parameters   andrea hanna
  • [gmx-users] Parameters   Xavier Periole
• [gmx-users] Spatial distribution   chris.neale at utoronto.ca
• [gmx-users] Re: High frequency output slow down the simulation?   chris.neale at utoronto.ca
• [gmx-users] Water model => amber port to gromacs ? => OR Only SPC ?   Chih-Ying Lin
  • [gmx-users] Water model => amber port to gromacs ? => OR Only SPC ?   Mark Abraham
• [gmx-users] topology   naimah haron naimah
  • [gmx-users] topology   Mark Abraham
• [gmx-users] Electron density over area   anirban polley
• [gmx-users] Deuterium order parameter over area of membrane   anirban polley
  • [gmx-users] Deuterium order parameter over area of membrane   Xavier Periole
• [gmx-users] Thickness distribution over area of bilayer-membrane   anirban polley
  • [gmx-users] Thickness distribution over area of bilayer-membrane   Justin A. Lemkul
• [gmx-users] posre.itp   Bhawana Gupta
  • [gmx-users] posre.itp   Mark Abraham
• [gmx-users] missing of methyl at N-terminal   Bhawana Gupta
  • [gmx-users] missing of methyl at N-terminal   Mark Abraham
    • [gmx-users] missing of methyl at N-terminal   Mitchell Stanton-Cook
• [gmx-users] adding NH2 cap to C terminal   sarbani chattopadhyay
  • [gmx-users] adding NH2 cap to C terminal   Mark Abraham
• [gmx-users] Gromacs-4.0.2 is out   Erik Lindahl
  • [gmx-users] Gromacs-4.0.2 is out   Tsjerk Wassenaar
  • [gmx-users] Gromacs-4.0.2 is out   Jussi Lehtola
  • [gmx-users] Gromacs-4.0.2 is out   Suman Chakrabarty
    • [gmx-users] Gromacs-4.0.2 is out   Mark Abraham
• [gmx-users] Re: gmx-users Digest, Vol 55, Issue 51   Gadzikano Munyuki
• [gmx-users] Re: Spatial distibution   Gadzikano Munyuki
  • [gmx-users] Re: Spatial distibution   Mark Abraham
• [gmx-users] Water model => amber port to gromacs ? => OR   Chih-Ying Lin
• [gmx-users] adding NH2 cap to C terminal   sarbani chattopadhyay
  • [gmx-users] adding NH2 cap to C terminal   Mark Abraham
  • [gmx-users] adding NH2 cap to C terminal   Justin A. Lemkul
• [gmx-users] bad box in protein.gro   Alessandro Casoni
  • [gmx-users] bad box in protein.gro   Tsjerk Wassenaar
    • [gmx-users] bad box in protein.gro   Alessandro Casoni
• [gmx-users] questions in Running MDS over docked poses   vivek sharma
  • [gmx-users] questions in Running MDS over docked poses   Justin A. Lemkul
    • [gmx-users] questions in Running MDS over docked poses   vivek sharma
      • [gmx-users] questions in Running MDS over docked poses   Justin A. Lemkul
• [gmx-users] files to modify to add NH2 cap at C terminal end   sarbani chattopadhyay
  • [gmx-users] files to modify to add NH2 cap at C terminal end   Justin A. Lemkul
  • [gmx-users] files to modify to add NH2 cap at C terminal end   Mark Abraham
• [gmx-users] [Fwd: Water model => amber port to gromacs ? => OR]   Mark Abraham
• [gmx-users] gromacs parallel problem   mario ciappy
  • [gmx-users] gromacs parallel problem   Mark Abraham
• [gmx-users] .mdp file   Andrea Muntean
  • [gmx-users] .mdp file   Justin A. Lemkul
    • [gmx-users] .mdp file   Andrea Muntean
  • [gmx-users] .mdp file   Kukol, Andreas
• [gmx-users] freeze group gives Segmentation fault   ilona.baldus at bioquant.uni-heidelberg.de
  • [gmx-users] freeze group gives Segmentation fault   Berk Hess
• [gmx-users] temperature coupling strength   Seunghyun Chung
  • [gmx-users] temperature coupling strength   Omer Markovitch
• [gmx-users] Announcing a new membrane analysis tool: GridMAT-MD   Justin A. Lemkul
  • [gmx-users] g_rms   Tatsiana Kirys
    • [gmx-users] g_rms   Tsjerk Wassenaar
• [gmx-users] xdrf Fortran program and g_traj   Shaghayegh Vafaei
• [gmx-users] the Temperature in the mdp.file   He, Yang
  • [gmx-users] the Temperature in the mdp.file   Yang Ye
    • [gmx-users] the Temperature in the mdp.file   He, Yang
      • [gmx-users] the Temperature in the mdp.file   David Chan
• [gmx-users] gro file   Bhawana Gupta
  • [gmx-users] gro file   Mark Abraham
• [gmx-users] replicating a view in pymol for multiple files   vivek sharma
  • [gmx-users] replicating a view in pymol for multiple files   Mark Abraham
• [gmx-users] FFTW problem for Gromacs4   Anirban Ghosh
  • [gmx-users] FFTW problem for Gromacs4   Xavier Periole
  • [gmx-users] FFTW problem for Gromacs4   Jussi Lehtola
    • [gmx-users] FFTW problem for Gromacs4   Mike Hanby
      • [gmx-users] Warning in compiling GMX4.0.2   Xavier Periole
      • [gmx-users] Warning in compiling GMX4.0.2   Xavier Periole
      • [gmx-users] Warning in compiling GMX4.0.2   Mark Abraham
• [gmx-users] flood of gmx's mails in my mailbox   Pathumwadee Intharathep
  • [gmx-users] flood of gmx's mails in my mailbox   Justin A. Lemkul
    • [gmx-users] flood of gmx's mails in my mailbox   Tsjerk Wassenaar
• [gmx-users] continuation options   Daniel Larsson
  • [gmx-users] continuation options   Berk Hess
    • [gmx-users] continuation options   Daniel Larsson
  • [gmx-users] compilation of gmx-4.0.2   Xavier Periole
    • [gmx-users] compilation of gmx-4.0.2   Justin A. Lemkul
      • [gmx-users] compilation of gmx-4.0.2   Xavier Periole
    • [gmx-users] compilation of gmx-4.0.2   Mark Abraham
      • [gmx-users] compilation of gmx-4.0.2   Xavier Periole
• [gmx-users] question on diffusion during MD   Ramon Crehuet
  • [gmx-users] question on diffusion during MD   Mark Abraham
• [gmx-users] xdrf Fortran program and g_traj   Shaghayegh Vafaei
  • [gmx-users] xdrf Fortran program and g_traj   Mark Abraham
• [gmx-users] the temperature effect in the simulation   He, Yang
  • [gmx-users] the temperature effect in the simulation   Justin A. Lemkul
    • [gmx-users] the temperature effect in the simulation   He, Yang
      • [gmx-users] the temperature effect in the simulation   Justin A. Lemkul
  • [gmx-users] the temperature effect in the simulation   Nicolas Sapay
    • [gmx-users] the temperature effect in the simulation   Mu Yuguang (Dr)
      • [gmx-users] the temperature effect in the simulation   He, Yang
• [gmx-users] system explodes   Andrea Muntean
  • [gmx-users] system explodes   Justin A. Lemkul
    • [gmx-users] system explodes   Andrea Muntean
• [gmx-users] the temperature effect in the simulation   Justin A. Lemkul
• [gmx-users] the temperature effect in the simulation   Justin A. Lemkul
• [gmx-users] Inconsistent shifts   Ramesh Singh
  • [gmx-users] Library file ffG43a1.n2t not found   ROHIT MALSHE
    • [gmx-users] Library file ffG43a1.n2t not found   Justin A. Lemkul
    • [gmx-users] Library file ffG43a1.n2t not found   Mark Abraham
• [gmx-users] position and distance restrain   Pathumwadee Intharathep
  • [gmx-users] position and distance restrain   Justin A. Lemkul
• [gmx-users] appropriate time constant and forces for distance restraints   Arthur Roberts
• [gmx-users] how to write .top file for a rigid molecule   Jinyao Wang
  • [gmx-users] how to write .top file for a rigid molecule   Justin A. Lemkul
  • [gmx-users] how to write .top file for a rigid molecule   Mark Abraham
  • [gmx-users] how to write .top file for a rigid molecule   Arthur Roberts
• [gmx-users] distance restrain   Pathumwadee Intharathep
  • [gmx-users] distance restrain   Mark Abraham
• [gmx-users] .top file   Bhawana Gupta
  • [gmx-users] .top file   Justin A. Lemkul
• [gmx-users] position restrain   shahrbanoo karbalaee
  • [gmx-users] position restrain   Justin A. Lemkul
• [gmx-users] density of the bilayer   minnale
  • [gmx-users] density of the bilayer   Xavier Periole
• [gmx-users] grompp NOTE mdp file concerning steps   Claus Valka
• [gmx-users] density of the bilayer   minnale
  • [gmx-users] density of the bilayer   Xavier Periole
• [gmx-users] Versions of analysis programs   Ran Friedman
• [gmx-users] Warning in compiling GMX4.0.2   Mark Abraham
• [gmx-users] Re: grompp NOTE mdp file concerning steps   Claus Valka
  • [gmx-users] Re: grompp NOTE mdp file concerning steps   Tsjerk Wassenaar
• [gmx-users] GROMACS on Bluegene   Mike Hanby
  • [gmx-users] GROMACS on Bluegene   Suman Chakrabarty
    • [gmx-users] GROMACS on Bluegene   Roland Schulz
      • [gmx-users] GROMACS on Bluegene   Mike Hanby
      • [gmx-users] GROMACS on Bluegene   Mark Abraham
      • [gmx-users] GROMACS on Bluegene   Mike Hanby
      • [gmx-users] GROMACS on Bluegene   Mark Abraham
• [gmx-users] small protein & big frozen group - exploding   Omer Markovitch
• [gmx-users] Force Fields for Solids   Christopher Rowan
• [gmx-users] problem installing FFTW   sarbani chattopadhyay
  • [gmx-users] problem installing FFTW   Justin A. Lemkul
• [gmx-users] problem with pulling (afm_rate is not equal to real pull-velocity)   Thomas Schlesier
• [gmx-users] trjconv write frames to separate files   tatsiana kirys
  • [gmx-users] trjconv write frames to separate files   Justin A. Lemkul
• [gmx-users] Re:density of the bilayer   minnale
• [gmx-users] Is it normal for mdrun to go very slow when a large number of 'energygrps' & user-defined potentials are used?   Musselman, Eli D
  • [gmx-users] Is it normal for mdrun to go very slow when a large number of 'energygrps' & user-defined potentials are used?   Mark Abraham
• [gmx-users] Is it normal for mdrun to go very slow when a large number of 'energygrps' & user-defined potentials are used? (This re-post is easier to read)   Musselman, Eli D
• [gmx-users] centre of the system: error   minnale
  • [gmx-users] centre of the system: error   Justin A. Lemkul
• [gmx-users] charge distribution   Hongyan Xiao
  • [gmx-users] charge distribution   Justin A. Lemkul
• [gmx-users] charge distribution   Hongyan Xiao
  • [gmx-users] charge distribution   Justin A. Lemkul
• [gmx-users] problem with FFTW installation   sarbani chattopadhyay
  • [gmx-users] problem with FFTW installation   Mark Abraham
• [gmx-users] problem with FFTW installation   sarbani chattopadhyay
• [gmx-users] can't find fftw3f library   sarbani chattopadhyay
  • [gmx-users] can't find fftw3f library   Mark Abraham
• [gmx-users] can't find fftw3f library   sarbani chattopadhyay
• [gmx-users] Coarse-Graining & Simulation Workshop using the MARTINI model   Atte Sillanpää
• [gmx-users] lamboot command problem   sarbani chattopadhyay
  • [gmx-users] lamboot command problem   Mark Abraham
• [gmx-users] Error while trying position restraint   vivek sharma
  • [gmx-users] Error while trying position restraint   Justin A. Lemkul
• [gmx-users] g_hbond seems to detect different hbonds in the same trajectory   Jean-Paul Becker
  • [gmx-users] g_hbond seems to detect different hbonds in the same trajectory   Mark Abraham
• [gmx-users] lamboot command problem   sarbani chattopadhyay
• [gmx-users] GROMOS with SPC/E water?   Suman Chakrabarty
  • [gmx-users] GROMOS with SPC/E water?   Berk Hess
    • [gmx-users] GROMOS with SPC/E water?   Suman Chakrabarty
• [gmx-users] Is it normal for mdrun to go very slow when a large number of 'energygrps' & user-defined potentials are used?   Musselman, Eli D
• [gmx-users] Normal mode analysis   Polavarapu, Abhigna
  • [gmx-users] RE: Normal mode analysis   Polavarapu, Abhigna
    • [gmx-users] RE: Normal mode analysis   Marudachalam S
      • [gmx-users] RE: Normal mode analysis   Maria Musgaard
      • [gmx-users] RE: Normal mode analysis   minnu vijayan
      • [gmx-users] RE: Normal mode analysis   Mark Abraham
• [gmx-users] Re: Re: .top   Bhawana Gupta
  • [gmx-users] Re: Re: .top   Mark Abraham
• [gmx-users] segmentation fault during test set   Antoine Migeon
  • [gmx-users] segmentation fault during test set   Mark Abraham
• [gmx-users] help with molecules not in the database   rahmanm at queensu.ca
  • [gmx-users] help with molecules not in the database   Justin A. Lemkul
• [gmx-users] Constraints - PMF - Different Molecules   Eudes Fileti
  • [gmx-users] Constraints - PMF - Different Molecules   Mark Abraham
  • [gmx-users] Constraints - PMF - Different Molecules   Arthur Roberts
    • [gmx-users] Constraints - PMF - Different Molecules   Mark Abraham
• [gmx-users] NO such a molecule type   Morteza Khabiri
  • [gmx-users] NO such a molecule type   Mark Abraham
• [gmx-users] NO such a molecule type   Morteza Khabiri
  • [gmx-users] NO such a molecule type   Mark Abraham
• [gmx-users] [Fwd: [FFTW-announce] FFTW 3.2 is released]   Mark Abraham
  • [gmx-users] [Fwd: [FFTW-announce] FFTW 3.2 is released]   Carsten Kutzner
• [gmx-users] No such a molecule   Morteza Khabiri
• [gmx-users] Re: Constraints - PMF - Different Molecules (Mark Abraham)   Eudes Fileti
  • [gmx-users] Re: Constraints - PMF - Different Molecules (Mark Abraham)   Mark Abraham
• [gmx-users] Where to find the debugged versions of gromacs ?   rashmi_chem at iitb.ac.in
  • [gmx-users] Where to find the debugged versions of gromacs ?   Mark Abraham
  • [gmx-users] Where to find the debugged versions of gromacs ?   Justin A. Lemkul
• [gmx-users] gmxtest error: Only 44 energies in the log file   DimitryASuplatov
• [gmx-users] Problems with ion names in OPLS and gromacs 4.0.2   DimitryASuplatov
  • [gmx-users] Problems with ion names in OPLS and gromacs 4.0.2   Justin A. Lemkul
  • [gmx-users] Problems with ion names in OPLS and gromacs 4.0.2   Mark Abraham
• [gmx-users] Re: Constraints - PMF - Different Molecules   Eudes Fileti
  • [gmx-users] Re: Constraints - PMF - Different Molecules   Mark Abraham
• [gmx-users] First Circular: FOMMS 2009   Moore, Jonathan (J)
• [gmx-users] error: triclinic skew factor - number of DD cells   Claus Valka
  • [gmx-users] error: triclinic skew factor - number of DD cells   Berk Hess
• [gmx-users] error: triclinic skew factor - number of DD cells   Claus Valka
  • [gmx-users] error: triclinic skew factor - number of DD cells   Berk Hess
• [gmx-users] Gromacs-4.0.2: Compilation problem on IBM P690 Regatta System   Suman Chakrabarty
  • [gmx-users] Re: Gromacs-4.0.2: Compilation problem on IBM P690 Regatta System   Suman Chakrabarty
    • [gmx-users] Re: Gromacs-4.0.2: Compilation problem on IBM P690 Regatta System   Justin A. Lemkul
      • [gmx-users] Re: Gromacs-4.0.2: Compilation problem on IBM P690 Regatta System   Suman Chakrabarty
      • [gmx-users] Re: Gromacs-4.0.2: Compilation problem on IBM P690 Regatta System   Mark Abraham
      • [gmx-users] Re: Gromacs-4.0.2: Compilation problem on IBM P690 Regatta System   Suman Chakrabarty
      • [gmx-users] Re: Gromacs-4.0.2: Compilation problem on IBM P690 Regatta System   Mark Abraham
• [gmx-users] Gromacs Installation troubles   Nicholas Geraedts
  • [gmx-users] Gromacs Installation troubles   Mark Abraham
  • [gmx-users] Gromacs Installation troubles   Jussi Lehtola
    • [gmx-users] Gromacs Installation troubles   Antoine Migeon
      • [gmx-users] Gromacs Installation troubles   Jussi Lehtola
      • [gmx-users] Gromacs Installation troubles   Nicholas Geraedts
      • [gmx-users] Gromacs Installation troubles   Jussi Lehtola
      • [gmx-users] Gromacs Installation troubles   Mark Abraham
      • [gmx-users] Gromacs Installation troubles   Jussi Lehtola
      • [gmx-users] Gromacs Installation troubles   Nicholas Geraedts
      • [gmx-users] Gromacs Installation troubles   Jussi Lehtola
      • [gmx-users] Gromacs Installation troubles   Mark Abraham
• [gmx-users] GRACE installation   Q. Y. HUAN
  • [gmx-users] GRACE installation   Mark Abraham
  • [gmx-users] GRACE installation   Suman Chakrabarty
• [gmx-users] test particle insertion   Andrei Neamtu
  • [gmx-users] test particle insertion   Mark Abraham
• [gmx-users] operating system   Marudachalam S
  • [gmx-users] operating system   Jussi Lehtola
    • [gmx-users] operating system   Marudachalam S
  • [gmx-users] operating system   Mark Abraham
    • [gmx-users] operating system   Marudachalam S
      • [gmx-users] operating system   Jussi Lehtola
      • [gmx-users] operating system   Mark Abraham
      • [gmx-users] operating system   Suman Chakrabarty
• [gmx-users] (no subject)   Kwee Hong
  • [gmx-users] (no subject)   Justin A. Lemkul
• [gmx-users] grace/xmgace   Bhawana Gupta
  • [gmx-users] grace/xmgace   Florian Haberl
• [gmx-users] Problems with ion names in OPLS and gromacs 4.0.2   DimitryASuplatov
• [gmx-users] Problems with ion names in OPLS and gromacs 4.0.2   Justin A. Lemkul
• [gmx-users] Wrong calculation of runtime   Christian Seifert
  • [gmx-users] Wrong calculation of runtime   Berk Hess
    • [gmx-users] Wrong calculation of runtime   Christian Seifert
      • [gmx-users] Wrong calculation of runtime   Berk Hess
• [gmx-users] Re: how to turn off the interamolecular interaction   xianghong qi
  • [gmx-users] Re: how to turn off the interamolecular interaction   Mark Abraham
    • [gmx-users] Re: how to turn off the interamolecular interaction   xianghong qi
      • [gmx-users] Re: how to turn off the interamolecular interaction   Mark Abraham
      • [gmx-users] Re: how to turn off the interamolecular interaction   xianghong qi
      • [gmx-users] Re: how to turn off the interamolecular interaction   xianghong qi
      • [gmx-users] Re: how to turn off the interamolecular interaction   Mark Abraham
      • [gmx-users] Re: how to turn off the interamolecular interaction   xianghong qi
      • [gmx-users] Re: how to turn off the interamolecular interaction   Mark Abraham
      • [gmx-users] Re: how to turn off the interamolecular interaction   xianghong qi
      • [gmx-users] Re: how to turn off the interamolecular interaction   Mark Abraham
      • [gmx-users] Re: how to turn off the interamolecular interaction   xianghong qi
      • [gmx-users] Re: how to turn off the interamolecular interaction   xianghong qi
      • [gmx-users] Re: how to turn off the interamolecular interaction   Mark Abraham
      • [gmx-users] Re: how to turn off the interamolecular interaction   xianghong qi
      • [gmx-users] Re: how to turn off the interamolecular interaction   xianghong qi
      • [gmx-users] .itp file for cyclohexane (gromos96 FF)   Isabella Daidone
      • [gmx-users] .itp file for cyclohexane (gromos96 FF)   Justin A. Lemkul
      • [gmx-users] Re: how to turn off the interamolecular interaction   Mark Abraham
      • [gmx-users] Re: how to turn off the interamolecular interaction   xianghong qi
    • [gmx-users] Re: how to turn off the interamolecular interaction   Suman Chakrabarty
• [gmx-users] gromacs 4.0.2 error in continuation to triclinic skew error   Claus Valka
  • [gmx-users] gromacs 4.0.2 error in continuation to triclinic skew error   Berk Hess
• [gmx-users] Replica exchange temp. distribution   sarbani chattopadhyay
  • [gmx-users] Replica exchange temp. distribution   Mark Abraham
• [gmx-users] Replica exchange temp. distribution   sarbani chattopadhyay
  • [gmx-users] Replica exchange temp. distribution   Berk Hess
  • [gmx-users] Replica exchange temp. distribution   Mark Abraham
    • [gmx-users] Pulling in 4.0 - Any documentation?   Semen Esilevsky
      • [gmx-users] Pulling in 4.0 - Any documentation?   Berk Hess
      • [gmx-users] Pulling in 4.0 - Any documentation?   Mark Abraham
      • [gmx-users] Pulling in 4.0 - Any documentation?   Semen Esilevsky
      • [gmx-users] List of all bonds form tpr file?   Semen Esilevsky
      • [gmx-users] List of all bonds form tpr file?   Berk Hess
      • [gmx-users] List of all bonds form tpr file?   Berk Hess
      • [gmx-users] List of all bonds form tpr file?   Semen Esilevsky
      • [gmx-users] List of all bonds form tpr file?   Berk Hess
      • [gmx-users] List of all bonds form tpr file?   Semen Esilevsky
• [gmx-users] Cutoff Parameters   Soumik Banerjee
• [gmx-users] Complete list of all interaction energies   jgoetze at uni-potsdam.de
  • [gmx-users] Complete list of all interaction energies   Mark Abraham
• [gmx-users] Complete list of all interaction energies   jgoetze at uni-potsdam.de
• [gmx-users] sedoheptulose   Bernhard Knapp
  • [gmx-users] sedoheptulose   Kukol, Andreas
• [gmx-users] gromacs 4.0.2 error in continuation to triclinic skew error   Claus Valka
  • [gmx-users] gromacs 4.0.2 error in continuation to triclinic skew error   Berk Hess
• [gmx-users] Alchemistry free energy simulations of molecules with different atom numbers   Zhao Lifeng
  • [gmx-users] Alchemistry free energy simulations of molecules with different atom numbers   Diana Lousa
• [gmx-users] free software to save a trajektorie as a movie?   Thomas Schlesier
  • [gmx-users] free software to save a trajektorie as a movie?   Pete Meyer
    • [gmx-users] free software to save a trajektorie as a movie?   Martin Höfling
      • [gmx-users] free software to save a trajektorie as a movie?   mldaniel at pnhs.purdue.edu
  • [gmx-users] free software to save a trajektorie as a movie?   Mark Abraham
  • [gmx-users] free software to save a trajektorie as a movie?   Justin A. Lemkul
• [gmx-users] gromacs 4.0.2 error in continuation to triclinic skew error   Claus Valka
  • [gmx-users] gromacs 4.0.2 error in continuation to triclinic skew error   Berk Hess
• [gmx-users] Re: free software to save a trajektorie as a movie?   Thomas Schlesier
• [gmx-users] sedoheptulose   Bernhard Knapp
  • [gmx-users] sedoheptulose   Mark Abraham
• [gmx-users] large charge group   Sunjoo Lee
  • [gmx-users] large charge group   Berk Hess
    • [gmx-users] large charge group   qiaobf
      • [gmx-users] large charge group   Berk Hess
• [gmx-users] Re: gmx-users Digest, Vol 55, Issue 106   Sunjoo Lee
• [gmx-users] Re: Constraints - PMF - Different Molecules (Mark Abraham/Arthur Roberts)   Eudes Fileti
• [gmx-users] Re: Re: Alchemistry free energy simulations of molecules with different atom numbers   Zhao Lifeng
• [gmx-users] PPA   shenle at sjtu.edu.cn
• [gmx-users] Charges in SW water model   Andreas Kring
  • [gmx-users] Re: Charges in SW water model   David van der Spoel
• [gmx-users] duplicate a molecule   Gabriel Marchand
  • [gmx-users] duplicate a molecule   Mark Abraham
• [gmx-users] Calculating the time for existence of h-bond   vivek sharma
  • [gmx-users] Calculating the time for existence of h-bond   Mark Abraham
    • [gmx-users] Calculating the time for existence of h-bond   vivek sharma
      • [gmx-users] Calculating the time for existence of h-bond   Mark Abraham
  • [gmx-users] Calculating the time for existence of h-bond   minnu vijayan
    • [gmx-users] Calculating the time for existence of h-bond   Justin A. Lemkul
• [gmx-users] questions about g_hbond   Dechang Li
• [gmx-users] LJ + Buckingham + shell models   Jean-Francois Boily
• [gmx-users] parallelization error? gromacs-4.0.2   Claus Valka
  • [gmx-users] parallelization error? gromacs-4.0.2   Berk Hess
    • [gmx-users] parallelization error? gromacs-4.0.2   Berk Hess
• [gmx-users] problems with editconf 4.0   Alan
  • [gmx-users] problems with editconf 4.0   Jochen Hub
  • [gmx-users] problems with editconf 4.0   Berk Hess
• [gmx-users] Removing water molecules from inside of the protein   DimitryASuplatov
  • [gmx-users] Removing water molecules from inside of the protein   Justin A. Lemkul
• [gmx-users] Relationship between temperature, molecular velocity, and intramolecular potential   Seunghyun Chung
• [gmx-users] Re: free software to save a trajektorie as a movie?   parksh at northwestern.edu
• [gmx-users] OPLSAA parameters   friendli
  • [gmx-users] OPLSAA parameters   Justin A. Lemkul
    • [gmx-users] OPLSAA parameters   friendli
      • [gmx-users] OPLSAA parameters   Justin A. Lemkul
      • [gmx-users] OPLSAA parameters   friendli
      • [gmx-users] OPLSAA parameters   Mark Abraham
      • [gmx-users] OPLSAA parameters   friendli
      • [gmx-users] OPLSAA parameters   Mark Abraham
      • [gmx-users] OPLSAA parameters   friendli
      • [gmx-users] OPLSAA parameters   Mark Abraham
      • [gmx-users] OPLSAA parameters   friendli
      • [gmx-users] OPLSAA parameters   Berk Hess
      • [gmx-users] OPLSAA parameters   friendli
      • [gmx-users] OPLSAA parameters   Berk Hess
      • [gmx-users] OPLSAA parameters   friendli
      • [gmx-users] OPLSAA parameters   friendli
      • [gmx-users] OPLSAA parameters   Berk Hess
      • [gmx-users] OPLSAA parameters   friendli
      • [gmx-users] OPLSAA parameters   Mark Abraham
• [gmx-users] mdrun in parallel   Alessandro.Maiorana at roma2.infn.it
  • [gmx-users] mdrun in parallel   Tsjerk Wassenaar
  • [gmx-users] mdrun in parallel   Yang Ye
• [gmx-users] Re: grompp NOTE mdp file concerning steps   Claus Valka
  • [gmx-users] Re: grompp NOTE mdp file concerning steps   Tsjerk Wassenaar
• [gmx-users] Incorrect download link in the Gromacs homepage   Suman Chakrabarty
• [gmx-users] radial density graph and moment of inertia   Q. Y. HUAN
  • [gmx-users] radial density graph and moment of inertia   moura at ufscar.br
  • [gmx-users] radial density graph and moment of inertia   moura at ufscar.br
• [gmx-users] doublechecking itp files   rahmanm at queensu.ca
• [gmx-users] Gromacs-4.0.2: energy minimization error in parallel version   Suman Chakrabarty
  • [gmx-users] Gromacs-4.0.2: energy minimization error in parallel version   Berk Hess
    • [gmx-users] Gromacs-4.0.2: energy minimization error in parallel version   Suman Chakrabarty
• [gmx-users] course grain model for DNA   He, Yang
  • [gmx-users] course grain model for DNA   Mark Abraham
• [gmx-users] Incuding position restraints   DimitryASuplatov
  • [gmx-users] Incuding position restraints   Justin A. Lemkul
• [gmx-users] How long should I run a free energy simulation   Eudes Fileti
  • [gmx-users] Re: How long should I run a free energy simulation   Eudes Fileti
• [gmx-users] How to monitor hydrophobic interactions?   Ragnarok sdf
• [gmx-users] problem with distance restraints   map110+ at pitt.edu
  • [gmx-users] problem with distance restraints   Ángel Piñeiro
• [gmx-users] problem with distance restraints   map110+ at pitt.edu
  • [gmx-users] problem with distance restraints   Ángel Piñeiro
• [gmx-users] ligand protein complex with ffamber99   Ragnarok sdf
  • [gmx-users] ligand protein complex with ffamber99   Mark Abraham
• [gmx-users] average radius of gyration   Q. Y. HUAN
  • [gmx-users] average radius of gyration   Mark Abraham
    • [gmx-users] average radius of gyration   Q. Y. HUAN
      • [gmx-users] average radius of gyration   Mark Abraham
• [gmx-users] peptide goes out of box after md simulation   Bhawana Gupta
  • [gmx-users] peptide goes out of box after md simulation   Mark Abraham
• [gmx-users] coarse grain in gromacs   BIN ZHANG
  • [gmx-users] coarse grain in gromacs   Xavier Periole
    • [gmx-users] coarse grain in gromacs   BIN ZHANG
      • [gmx-users] coarse grain in gromacs   Justin A. Lemkul
      • [gmx-users] coarse grain in gromacs   Xavier Periole
• [gmx-users] Re: ligand protein complex with ffamber99   Alan
• [gmx-users] Replacing molecules in .gro coordinate file   Waipot Ngamsaad
  • [gmx-users] Replacing molecules in .gro coordinate file   Justin A. Lemkul
  • [gmx-users] Replacing molecules in .gro coordinate file   Omer Markovitch
• [gmx-users] problem in gromacs 4?   Bernhard Knapp
  • [gmx-users] problem in gromacs 4?   Justin A. Lemkul
    • [gmx-users] problem in gromacs 4?   Berk Hess
• [gmx-users] crash in gromacs-4.0.2 using vsites and 2fs t.s.   gportel at gwdg.de
  • [gmx-users] crash in gromacs-4.0.2 using vsites and 2fs t.s.   Justin A. Lemkul
    • [gmx-users] crash in gromacs-4.0.2 using vsites and 2fs t.s.   Suman Chakrabarty
      • [gmx-users] crash in gromacs-4.0.2 using vsites and 2fs t.s.   Justin A. Lemkul
      • [gmx-users] crash in gromacs-4.0.2 using vsites and 2fs t.s.   Suman Chakrabarty
• [gmx-users] Analyzing a trajectory split over multiple files   Suman Chakrabarty
  • [gmx-users] Analyzing a trajectory split over multiple files   Nicolas
  • [gmx-users] Analyzing a trajectory split over multiple files   Justin A. Lemkul
  • [gmx-users] Analyzing a trajectory split over multiple files   Omer Markovitch
    • [gmx-users] Analyzing a trajectory split over multiple files   Suman Chakrabarty
      • [gmx-users] Analyzing a trajectory split over multiple files   Nicolas
      • [gmx-users] Analyzing a trajectory split over multiple files   Suman Chakrabarty
      • [gmx-users] Analyzing a trajectory split over multiple files   TJ Piggot
• [gmx-users] trjcat error   Q. Y. HUAN
  • [gmx-users] trjcat error   Tsjerk Wassenaar
• [gmx-users] (no subject)   gportel at gwdg.de
• [gmx-users] crash in gromacs-4.0.2 using vsites and 2fs t.s.   gportel at gwdg.de
• [gmx-users] how many pairs are exchanged in replica exchange   sarbani chattopadhyay
  • [gmx-users] how many pairs are exchanged in replica exchange   Mark Abraham
• [gmx-users] trjcat problems   Q. Y. HUAN
  • [gmx-users] trjcat problems   Justin A. Lemkul
• [gmx-users] Loss of bonds in HEME iron after pdb2gmx   saradas at ncbs.res.in
• [gmx-users] Re:   Yang Ye
• [gmx-users] Re: gmx-users Digest, Vol 55, Issue 130   servaas
• [gmx-users] DPPC simulations   Jenny Hsu
  • [gmx-users] DPPC simulations   Justin A. Lemkul
    • [gmx-users] DPPC simulations   Jenny Hsu
      • [gmx-users] DPPC simulations   Justin A. Lemkul
• [gmx-users] location of specbond.dat   saradas at ncbs.res.in
  • [gmx-users] location of specbond.dat-solved   saradas at ncbs.res.in
• [gmx-users] Loss of bonds in HEME iron after pdb2gmx   saradas at ncbs.res.in
  • [gmx-users] Loss of bonds in HEME iron after pdb2gmx   Justin A. Lemkul
• [gmx-users] Extracting the water molecules in hydration layer   Suman Chakrabarty
  • [gmx-users] Extracting the water molecules in hydration layer   Xavier Periole
• [gmx-users] course grain model for DNA   He, Yang
  • [gmx-users] course grain model for DNA   Justin A. Lemkul
    • [gmx-users] course grain model for DNA   He, Yang
      • [gmx-users] course grain model for DNA   Justin A. Lemkul
  • [gmx-users] course grain model for DNA   Mrinalini Puranik
    • [gmx-users] course grain model for DNA   He, Yang
      • [gmx-users] course grain model for DNA   Justin A. Lemkul
• [gmx-users] Re: how to show dodecahedron box in VMD   xianghong qi
  • [gmx-users] Re: how to show dodecahedron box in VMD   Tsjerk Wassenaar
    • [gmx-users] Re: how to show dodecahedron box in VMD   Alessandro Casoni
      • [gmx-users] Re: how to show dodecahedron box in VMD   xianghong qi
• [gmx-users] TYR residue in OPLS-AA   Chris Neale
• [gmx-users] crash in gromacs-4.0.2 using vsites and 2fs t.s.   gportel at gwdg.de
• [gmx-users] correct processing of #define statements by grompp in gromacs 4.0.2 requires exactly one space after #define   Chris Neale
  • [gmx-users] correct processing of #define statements by grompp in gromacs 4.0.2 requires exactly one space after #define   Berk Hess
    • [gmx-users] correct processing of #define statements by grompp in gromacs 4.0.2 requires exactly one space after #define   Daniel Seeliger
• [gmx-users] Using double precision files with single precision version   vivek sharma
  • [gmx-users] Using double precision files with single precision version   Mark Abraham
    • [gmx-users] Using double precision files with single precision version   Berk Hess
• [gmx-users] correct processing of #define statements by grompp in gromacs 4.0.2 requires exactly one space after #define   chris.neale at utoronto.ca
• [gmx-users] Re: Loss of bonds in HEME iron after pdb2gmx   saradas at ncbs.res.in
  • [gmx-users] Re: Loss of bonds in HEME iron after pdb2gmx   Justin A. Lemkul
    • [gmx-users] Re: Loss of bonds in HEME iron after pdb2gmx   Justin A. Lemkul
• [gmx-users] About entropic contribution to the potential of mean force   Zhang Zhigang
• [gmx-users] Bugs in gromacs 4   Jelger Risselada
  • [gmx-users] Bugs in gromacs 4   Jochen Hub
    • [gmx-users] Bugs in gromacs 4   Jelger Risselada
      • [gmx-users] Bugs in gromacs 4   Berk Hess
• [gmx-users] gmx-users at gromacs.org   H.J.Risselada
• [gmx-users] Problems with distance restraints   Justin A. Lemkul
  • [gmx-users] Problems with distance restraints   Justin A. Lemkul
• [gmx-users] Problems with distance restraints   chris.neale at utoronto.ca
• [gmx-users] genbox -ci solute.gro -nmol N   Chih-Ying Lin
  • [gmx-users] genbox -ci solute.gro -nmol N   Justin A. Lemkul
• [gmx-users] Concentration   Chih-Ying Lin
  • [gmx-users] Concentration   Justin A. Lemkul
• [gmx-users] problems running grompp with protein-ligand complex   Ragnarok sdf
  • [gmx-users] problems running grompp with protein-ligand complex   Justin A. Lemkul
  • [gmx-users] problems running grompp with protein-ligand complex   Tsjerk Wassenaar
• [gmx-users] no density option in g_energy   Q. Y. HUAN
  • [gmx-users] no density option in g_energy   Justin A. Lemkul
    • [gmx-users] no density option in g_energy   Q. Y. HUAN
• [gmx-users] SMP/Parallel mdrun   Ian Stokes-Rees
  • [gmx-users] SMP/Parallel mdrun   Mark Abraham
    • [gmx-users] SMP/Parallel mdrun   Ian Stokes-Rees
      • [gmx-users] SMP/Parallel mdrun   Mark Abraham
      • [gmx-users] SMP/Parallel mdrun   Berk Hess
• [gmx-users] Re: About entropic contribution to the potential of mean force   Zhang Zhigang
  • [gmx-users] Re: About entropic contribution to the potential of mean force   Ángel Piñeiro
• [gmx-users] Re: Re: Loss of bonds in HEME iron after pdb2gmx   saradas at ncbs.res.in
• [gmx-users] Downloading DSSP onto iMAC   Kwee Hong
  • [gmx-users] Downloading DSSP onto iMAC   Justin A. Lemkul
• [gmx-users] trr format file   Luca De Gaetani
  • [gmx-users] trr format file   Mark Abraham
  • [gmx-users] trr format file   Suman Chakrabarty
• [gmx-users] x2top   Bernhard Knapp
  • [gmx-users] x2top   Nuno Azoia
    • [gmx-users] x2top   Nuno Azoia
  • [gmx-users] x2top   Justin A. Lemkul
    • [gmx-users] x2top   Tsjerk Wassenaar
• [gmx-users] PME-user for electrostatics   Argyrios Karatrantos
  • [gmx-users] PME-user for electrostatics   Berk Hess
• [gmx-users] defination of cluster   Q. Y. HUAN
  • [gmx-users] defination of cluster   Justin A. Lemkul
  • [gmx-users] defination of cluster   Mark Abraham
• [gmx-users] Box vector shifts number in x and y/z dimension   xuji
  • [gmx-users] Box vector shifts number in x and y/z dimension   Berk Hess
• [gmx-users] How to calculate virial in gromacs-4.0?   xuji
  • [gmx-users] How to calculate virial in gromacs-4.0?   Berk Hess
• [gmx-users] Fatal error with grompp(with detail process)   Jenny Hsu
  • [gmx-users] Fatal error with grompp(with detail process)   Tsjerk Wassenaar
    • [gmx-users] Fatal error with grompp(with detail process)   Jenny Hsu
      • [gmx-users] Fatal error with grompp(with detail process)   Mark Abraham
  • [gmx-users] Fatal error with grompp(with detail process)   Justin A. Lemkul
• [gmx-users] Re: Re: defination of cluster   Q. Y. HUAN
  • [gmx-users] Re: Re: defination of cluster   Justin A. Lemkul
• [gmx-users] print out the velocities and forces using template.c   friendli
  • [gmx-users] print out the velocities and forces using template.c   Mark Abraham
    • [gmx-users] print out the velocities and forces using template.c   Tsjerk Wassenaar
      • [gmx-users] print out the velocities and forces using template.c   friendli
      • [gmx-users] print out the velocities and forces using template.c   friendli
• [gmx-users] Re:Re: x2top   Bernhard Knapp
  • [gmx-users] Re:Re: x2top   Justin A. Lemkul
  • [gmx-users] Re:Re: x2top   Tsjerk Wassenaar
• [gmx-users] gromacs 4.0 -np parameter?   SLIM H.A.
  • [gmx-users] gromacs 4.0 -np parameter?   Justin A. Lemkul
• [gmx-users] correct processing of #define statements by grompp in gromacs 4.0.2 requires exactly one space after #define   David van der Spoel
• [gmx-users] gromacs 4.0 -np parameter?   Justin A. Lemkul
• [gmx-users] energy group exclusions - are forces calculated?   Michael Brunsteiner
• [gmx-users] Re: gmx-users Digest, Vol 55, Issue 150   Q. Y. HUAN
  • [gmx-users] Re: gmx-users Digest, Vol 55, Issue 150   Justin A. Lemkul
• [gmx-users] g_order post - 3.3.1 (yes, again).   Alan Dodd
  • [gmx-users] g_order post - 3.3.1 (yes, again).   David van der Spoel
• [gmx-users] RE: defination of cluster   Q. Y. HUAN
• [gmx-users] conjugate gradient with dummies   DimitryASuplatov

Last message date: Sun Nov 30 16:04:06 CET 2008
Archived on: Thu Nov 14 12:05:32 CET 2013

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