January 2006 Archives by author

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Starting: Sun Jan 1 20:01:08 CET 2006
Ending: Tue Jan 31 23:51:36 CET 2006
Messages: 492

[gmx-users] Newbie question Nataraj B (R&D-Biotech)
[gmx-users] Error showing for FE atom Nataraj B (R&D-Biotech)
[gmx-users] Error showing for FE atom Nataraj B (R&D-Biotech)
[gmx-users] Installation Mark Abraham
[gmx-users] Gromacs on SGI Altix Mark Abraham
[gmx-users] Table.xvg Mark Abraham
[gmx-users] Parallel run Mark Abraham
[gmx-users] assembly loops for multiple architectures Mark Abraham
[gmx-users] extract certain structure from trajectory Mark Abraham
[gmx-users] Error showing for FE atom Mark Abraham
[gmx-users] genbox/editconf Mark Abraham
[gmx-users] genbox/editconf Mark Abraham
[gmx-users] how to understand the sentence Mark Abraham
[gmx-users] shorten the .job output Mark Abraham
[gmx-users] replica exchange Mark Abraham
[gmx-users] shorten the .job output Mark Abraham
[gmx-users] strange temperature coupling problem Mark Abraham
[gmx-users] strange temperature coupling problem Mark Abraham
[gmx-users] (no subject) Mark Abraham
[gmx-users] temperature and pressure values Mark Abraham
[gmx-users] (no subject) Mark Abraham
[gmx-users] dssp on PC Mark Abraham
[gmx-users] Re: Re: temperature and pressure values Mark Abraham
[gmx-users] particle tranfer molecular dynamics Mark Abraham
[gmx-users] particle transfer molecular dynamics Mark Abraham
[gmx-users] eps file to ps or pdf format Mark Abraham
[gmx-users] a query.... Mark Abraham
[gmx-users] memory problem (normal mode analysis) Sridhar Acharya
[gmx-users] OPLS to gromos96 problems Magnus Andersson
[gmx-users] OPLS to gromos96 problems Magnus Andersson
[gmx-users] Locally Enhanced Sampling Alexandre Suman de Araujo
[gmx-users] Position restrained MD Michael Bajomo
[gmx-users] Re: g_hbond Kia Balali-Mood
[gmx-users] difference between table and tablep? Alexander Benedix
[gmx-users] Dump with trjconv - periodic coordinates Malin Bergenstråhle
[gmx-users] Electrostatics and VDW Una Bjarnadottir
[gmx-users] Electrostatics and VDW Una Bjarnadottir
[gmx-users] Atom NZ1 not found in rtp database in residue LYSH, it looks a bit like NZ Una Bjarnadottir
[gmx-users] Problem with gromacs-3.3 using PME Robert Bjornson
[gmx-users] Problem with gromacs-3.3 using PME Robert Bjornson
[gmx-users] PME scaling Robert Bjornson
[gmx-users] PME scaling Robert Bjornson
[gmx-users] protein membrane water simulations Antonio Sergio Kimus Braz
[gmx-users] glycosylated residues Christian Burisch
[gmx-users] Single core Quad processor or Dual processor Dual core? Andrea Carotti
[gmx-users] temperature and pressure values Marino Convertino
[gmx-users] Re: Re: temperature and pressure values Marino Convertino
[gmx-users] Re: Re: Re: temperature and pressure values Marino Convertino
[gmx-users] RE:initial configuration of ionic liquid systems Luciano Costa
[gmx-users] REMD GROMACS Anthony Cruz
[gmx-users] Heme-ligand Anthony Cruz
[gmx-users] HEME-LIGAND Anthony Cruz
[gmx-users] hemoglobin question Anthony Cruz
[gmx-users] O2 Anthony Cruz
[gmx-users] Fatal error Anthony Cruz
[gmx-users] cycloalkanic CH2-group Isabella Daidone
[gmx-users] Re: dssp on PC Dastmalchi
[gmx-users] SGI installation problem: forcing the compilation with gcc Dastmalchi
[gmx-users] pulling test Marco Deriu
[gmx-users] Installation Dhananjay
[gmx-users] Parallel run Dhananjay
[gmx-users] Parallel run Dhananjay
[gmx-users] gro to pdb Dhananjay
[gmx-users] Re: gro to pdb Dhananjay
[gmx-users] Energy minimization Dhananjay
[gmx-users] Error in installation Dhananjay
[gmx-users] Error in installation Dhananjay
[gmx-users] Error in installation Dhananjay
[gmx-users] lincs in parallel runs Laura Dominguez
[gmx-users] 3.2.1 vs 3.3 Jon Ellis
[gmx-users] strange temperature coupling problem Nickle Fan
[gmx-users] strange temperature coupling problem Nickle Fan
[gmx-users] strange temperature coupling problem Nickle Fan
[gmx-users] Re: FAD co-factor minimizaiton Anton Feenstra
[gmx-users] other gro file available? Anton Feenstra
[gmx-users] Re: FAD force field Anton Feenstra
[gmx-users] Re: MDS of transmembrane protein Anton Feenstra
[gmx-users] Re: Help regarding Gromac installation with MPI Anton Feenstra
[gmx-users] Re: traj problem GROMACS Anton Feenstra
[gmx-users] Problems with HExxH-Zn coodrination in OPLSA ff Jorge Hernandez Fernandez
[gmx-users] Re: Req for GROMACS config in cygwin Nuno R. L. Ferreira
[gmx-users] Re: Req for GROMACS config in cygwin Nuno R. L. Ferreira
[gmx-users] Locally Enhanced Sampling Ran Friedman
[gmx-users] Locally Enhanced Sampling Ran Friedman
[gmx-users] references on binding Ran Friedman
[gmx-users] area per lipid with peptide/protein Patrick Fuchs
[gmx-users] Shuffle/Sort and FEP Maik Goette
[gmx-users] FEP and error estimation Maik Goette
[gmx-users] Problems with HExxH-Zn coodrination in OPLSA ff Maik Goette
[gmx-users] Size of perturbed groups in FEP Maik Goette
[gmx-users] FEP and error estimation Maik Goette
[gmx-users] Size of perturbed groups in FEP Maik Goette
[gmx-users] glycosylated residues Maik Goette
[gmx-users] Error estimation with TI Maik Goette
[gmx-users] Error estimation with TI Maik Goette
[gmx-users] pdb2gmx showing error for FE in protein Maik Goette
[gmx-users] processor time Kay Gottschalk
[gmx-users] Gromacs on SGI Altix Florian Haberl
[gmx-users] couple several systems Florian Haberl
[gmx-users] center of mass motion Florian Haberl
[gmx-users] gro to pdb Florian Haberl
[gmx-users] compiling both MPI and non MPI versions --enable-shared Florian Haberl
[gmx-users] Re: gromacs and autodock Joanne Hanna
[gmx-users] Re: gromacs and autodock Joanne Hanna
[gmx-users] Should I keep the total charge unchanged? Mikko Hellgren
[gmx-users] Should I keep the total charge unchanged? Mikko Hellgren
[gmx-users] lateral and radial tilts question Berk Hess
[gmx-users] scalability of Gromacs with MPI Berk Hess
[gmx-users] "B" state for free energy corrupts minimization? Berk Hess
[gmx-users] mutual coefficient Berk Hess
[gmx-users] Pressure and compressibility Janne Hirvi
[gmx-users] RMSD in total energy Janne Hirvi
[gmx-users] Re: RMSD in total energy Janne Hirvi
[gmx-users] Re: Re: RMSD in total energy Janne Hirvi
[gmx-users] Force analysis Janne Hirvi
[gmx-users] initial configuration of ionic liquid systems Roman Holomb
[gmx-users] Topolofy files Roman Holomb
[gmx-users] Mac Installation Simon Holton
[gmx-users] altLoc Tamas Horvath
[gmx-users] altLoc Tamas Horvath
[gmx-users] equilibrium Tamas Horvath
[gmx-users] equilibrium Tamas Horvath
[gmx-users] equilibrium Tamas Horvath
[gmx-users] temp plot Tamas Horvath
[gmx-users] temp plot Tamas Horvath
[gmx-users] links Jochen Hub
[gmx-users] K ion Jochen Hub
[gmx-users] (no subject) Christian Hedegaard Jensen
[gmx-users] Error message in g_rms Bob Johnson
[gmx-users] Reducing fast motion with Langevin Dynamics Bob Johnson
[gmx-users] 3.2.1 vs 3.3 Jon
[gmx-users] assembly loops for multiple architectures P K
[gmx-users] particle tranfer molecular dynamics ARGYRIOS KARATRANTOS
[gmx-users] particle transfer molecular dynamics ARGYRIOS KARATRANTOS
[gmx-users] mutual diffusion coefficient ARGYRIOS KARATRANTOS
[gmx-users] mutual coefficient ARGYRIOS KARATRANTOS
[gmx-users] rmsf Sampo Karkola
[gmx-users] rmsf Sampo Karkola
[gmx-users] Installation Itamar Kass
[gmx-users] Inserting water to active site Itamar Kass
[gmx-users] make hole Itamar Kass
[gmx-users] restrainted set of simulations Itamar Kass
[gmx-users] restrainted set of simulations Itamar Kass
[gmx-users] G43a1 RNA dihedrals Ken
[gmx-users] xtc, rmsd Michal Kolinski
[gmx-users] FW: Gromacs version 3.3 Pradeep Kota
[gmx-users] FEP and error estimation Tomas Kubar
[gmx-users] FEP and error estimation Tomas Kubar
[gmx-users] gro to pdb Marcus Kubitzki
[gmx-users] Parallel run Carsten Kutzner
[gmx-users] PME scaling Carsten Kutzner
[gmx-users] replica exchange Carsten Kutzner
[gmx-users] coordinate file for TFE Dilraj Lama
[gmx-users] coordinate file for TFE Dilraj Lama
[gmx-users] How to set the reference point! chiloo Laohpongspaisan
[gmx-users] g_wham to support 3 dimension? Hwankyu Lee
[gmx-users] replica exchange Marc F. Lensink
[gmx-users] coarse grain lipid and protein Erik Lindahl
[gmx-users] Gromacs on SGI Altix Erik Lindahl
[gmx-users] gromacs 3.3 build on x86_64 Erik Lindahl
[gmx-users] PME scaling Erik Lindahl
[gmx-users] PME scaling Erik Lindahl
[gmx-users] (no subject) Erik Lindahl
[gmx-users] Error in installation Erik Lindahl
[gmx-users] memory problem (normal mode analysis) Erik Lindahl
[gmx-users] Single core Quad processor or Dual processor Dual core? Erik Lindahl
[gmx-users] compiling both MPI and non MPI versions --enable-shared Erik Lindahl
[gmx-users] MPI tips Erik Lindahl
[gmx-users] SGI installation problem: forcing the compilation with gcc Erik Lindahl
[gmx-users] NGMX instalation problem - with lesstif compiled Eduardo Martins Lopes
[gmx-users] Re: gromacs and autodock MGiò
[gmx-users] Re: gromacs and autodock MGiò
[gmx-users] Energy minimization MGiò
[gmx-users] shifting time MGiò
[gmx-users] Topolofy files MGiò
[gmx-users] g_hbond MGiò
[gmx-users] Re: g_hbond MGiò
[gmx-users] the screen output Paul van Maaren
[gmx-users] MPI tips David Mathog
[gmx-users] compiling both MPI and non MPI versions --enable-shared David Mathog
[gmx-users] Re: MPI tips David Mathog
[gmx-users] Re: MPI tips David Mathog
[gmx-users] MPI scaling (was RE: MPI tips) David Mathog
[gmx-users] water in cubic box exploding Fernando Mattio
[gmx-users] glycosylated residues Lars Meinhold
[gmx-users] glycosylated residues Lars Meinhold
[gmx-users] area per lipid with peptide/protein Nicolas Michel
[gmx-users] Size of perturbed groups in FEP Bruce Milne
[gmx-users] Re: Re: Size of perturbed groups in FEP Bruce Milne
[gmx-users] Re: Re: Re: Re: Size of perturbed groups in FEP Bruce Milne
[gmx-users] temp and press coupling David Mobley
[gmx-users] freeze groups log file runaway David Mobley
[gmx-users] 3.2.1 vs 3.3 David Mobley
[gmx-users] freeze groups log file runaway David Mobley
[gmx-users] Should I keep the total charge unchanged? David Mobley
[gmx-users] FEP and error estimation David Mobley
[gmx-users] vdwd option on genbox: Exactly what does it do? David Mobley
[gmx-users] vdwd option on genbox: Exactly what does it do? David Mobley
[gmx-users] need help with free energy of solvation calculation David Mobley
[gmx-users] constrained minimization David Mobley
[gmx-users] Size of perturbed groups in FEP David Mobley
[gmx-users] constrained minimization David Mobley
[gmx-users] need help with free energy of solvation calculati on David Mobley
[gmx-users] references on binding David Mobley
[gmx-users] Error estimation with TI David Mobley
[gmx-users] equilibrium David Mobley
[gmx-users] Re: Re: Size of perturbed groups in FEP David Mobley
[gmx-users] FEP and error estimation David Mobley
[gmx-users] angle restraints and free energy calculations: For the record David Mobley
[gmx-users] Electrostatics and VDW David Mobley
[gmx-users] need help with free energy of solvation calculati on David Mobley
[gmx-users] Electrostatics and VDW David Mobley
[gmx-users] MPI tips David Mobley
[gmx-users] Huge trr files David Mobley
[gmx-users] Re: MPI tips David Mobley
[gmx-users] "B" state for free energy corrupts minimization? David Mobley
[gmx-users] need help with free energy of solvation calculation Moore, Jonathan (J)
[gmx-users] need help with free energy of solvation calculati on Moore, Jonathan (J)
[gmx-users] gmxcheck -ab Moore, Jonathan (J)
[gmx-users] need help with free energy of solvation calculati on Moore, Jonathan (J)
[gmx-users] Problem with gromacs-3.3 using PME Hector Mtz-Seara
[gmx-users] writing output Naser, Md Abu
[gmx-users] (no subject) Naser, Md Abu
[gmx-users] rmsf Osmair Vital de Oliveira
[gmx-users] Re: Size of perturbed groups in FEP Chris Oostenbrink
[gmx-users] coarse grain lipid and protein Xavier Periole
[gmx-users] temp plot Xavier Periole
[gmx-users] a query.... Xavier Periole
[gmx-users] periodic loading Nguyen Hoang Phuong
[gmx-users] Force analysis Nguyen Hoang Phuong
[gmx-users] writing output Adriana Pietropaolo
[gmx-users] writing output Adriana Pietropaolo
[gmx-users] writing output Adriana Pietropaolo
[gmx-users] writing output Adriana Pietropaolo
[gmx-users] writing output Adriana Pietropaolo
[gmx-users] select a fragment for g_rms Adriana Pietropaolo
[gmx-users] (no subject) TJ Piggot
[gmx-users] OPLS to gromos96 problems Ken Rotondi
[gmx-users] OPLS to gromos96 problems Ken Rotondi
[gmx-users] pdb2gmx problems Ken Rotondi
[gmx-users] G43a1 RNA dihedrals Ken Rotondi
[gmx-users] G43a1 RNA dihedrals Ken Rotondi
[gmx-users] MD run error Mahalakshmi S
[gmx-users] gro to pdb Farid Sa'adedin
[gmx-users] equilibrium Lars Schaefer
[gmx-users] equilibrium Lars Schaefer
[gmx-users] Re: gmx-users Digest, Vol 21, Issue 33 Pim Schravendijk
[gmx-users] coarse grain lipid and protein John Simms
[gmx-users] Re: coarse grain lipid and protein John Simms
[gmx-users] strange temperature coupling problem Simple
[gmx-users] Gromacs on SGI Altix David van der Spoel
[gmx-users] Problem to run more than 2 NPT REMD replicas David van der Spoel
[gmx-users] freeze groups log file runaway David van der Spoel
[gmx-users] RE: Gromacs/user defined functions David van der Spoel
[gmx-users] Problem to run more than 2 NPT REMD replicas - 4 David van der Spoel
[gmx-users] Parallel run David van der Spoel
[gmx-users] xtc, rmsd David van der Spoel
[gmx-users] [Fwd: [SPAM] Ask for help of using Gromacs] David van der Spoel
[gmx-users] assembly loops for multiple architectures David van der Spoel
[gmx-users] coordinate file for TFE David van der Spoel
[gmx-users] Re: gromacs and autodock David van der Spoel
[gmx-users] coordinate file for TFE David van der Spoel
[gmx-users] Re: Velocity Auto-Correlation Function David van der Spoel
[gmx-users] g_wham to support 3 dimension? David van der Spoel
[gmx-users] Error showing for FE atom David van der Spoel
[gmx-users] constrained minimization David van der Spoel
[gmx-users] MD run error David van der Spoel
[gmx-users] Computing prot pot ener in the gmx code David van der Spoel
[gmx-users] writing output David van der Spoel
[gmx-users] Shuffle/Sort and FEP David van der Spoel
[gmx-users] Re: Computing prot pot ener in the gmx code David van der Spoel
[gmx-users] vdwd option on genbox: Exactly what does it do? David van der Spoel
[gmx-users] Re: gro to pdb David van der Spoel
[gmx-users] polarizable pair potentials David van der Spoel
[gmx-users] PME scaling David van der Spoel
[gmx-users] PME scaling David van der Spoel
[gmx-users] gmxcheck -ab David van der Spoel
[gmx-users] difference between table and tablep? David van der Spoel
[gmx-users] shorten the .job output David van der Spoel
[gmx-users] shorten the .job output David van der Spoel
[gmx-users] replica exchange David van der Spoel
[gmx-users] [Fwd: Reg configuration of GROMACS in cygwin] David van der Spoel
[gmx-users] replica exchange David van der Spoel
[gmx-users] RMSD in total energy David van der Spoel
[gmx-users] Re: RMSD in total energy David van der Spoel
[gmx-users] genion error David van der Spoel
[gmx-users] Locally Enhanced Sampling David van der Spoel
[gmx-users] is there a error in manual? David van der Spoel
[gmx-users] Locally Enhanced Sampling David van der Spoel
[gmx-users] altLoc David van der Spoel
[gmx-users] Error estimation with TI David van der Spoel
[gmx-users] pdb2gmx problems David van der Spoel
[gmx-users] equilibrium David van der Spoel
[gmx-users] Error estimation with TI David van der Spoel
[gmx-users] (no subject) David van der Spoel
[gmx-users] extend the order of Ryckaert-Bellemans dihedral David van der Spoel
[gmx-users] Error in installation David van der Spoel
[gmx-users] Error in installation David van der Spoel
[gmx-users] Error in installation David van der Spoel
[gmx-users] shuffle option David van der Spoel
[gmx-users] Re: velocities not rescaled David van der Spoel
[gmx-users] how to assign for the membrane protein!] David van der Spoel
[gmx-users] G43a1 RNA dihedrals David van der Spoel
[gmx-users] ffG45a3 force field rtp file David van der Spoel
[gmx-users] NGMX instalation problem - with lesstif compiled David van der Spoel
[gmx-users] mutual diffusion coefficient David van der Spoel
[gmx-users] Velocity Auto-Correlation Function Viswanadham Sridhara
[gmx-users] Re: Velocity Auto-Correlation Function Viswanadham Sridhara
[gmx-users] extract certain structure from trajectory Viswanadham Sridhara
[gmx-users] Re: gro to pdb Viswanadham Sridhara
[gmx-users] shifting time Viswanadham Sridhara
[gmx-users] velocities not rescaled Viswanadham Sridhara
[gmx-users] Re: velocities not rescaled Viswanadham Sridhara
[gmx-users] Re: velocities not rescaled Viswanadham Sridhara
[gmx-users] mutual diffusion coefficient Viswanadham Sridhara
[gmx-users] rhombic dodecahedron and very high pressures Brian Curtis Stephenson
[gmx-users] genion error Bharat V. Adkar P.hD Student
[gmx-users] Gromacs runs with SGE and LAM-MPI Stéphane Teletchéa
[gmx-users] Joining log files ? Stéphane Teletchéa
[gmx-users] Joining log files ? Stéphane Teletchéa
[gmx-users] scalability of Gromacs with MPI Jan Thorbecke
[gmx-users] genion error Hiromichi Tsurui
[gmx-users] genion error Hiromichi Tsurui
[gmx-users] genion error Hiromichi Tsurui
[gmx-users] genion error Hiromichi Tsurui
[gmx-users] genion error Hiromichi Tsurui
[gmx-users] replica analysis scripts Andrea C. Vaiana
[gmx-users] replica exchange Andrea C. Vaiana
[gmx-users] replica exchange Andrea C. Vaiana
[gmx-users] references on binding Diego Vallejo
[gmx-users] cycloalkanic CH2-group Alessandra Villa
[gmx-users] shuffle option Lubos Vrbka
[gmx-users] shuffle option Lubos Vrbka
[gmx-users] Joining log files ? Lubos Vrbka
[gmx-users] Single core Quad processor or Dual processor Dual core? Lubos Vrbka
[gmx-users] Re: MPI tips Dallas B. Warren
[gmx-users] Re: MPI tips Dallas B. Warren
[gmx-users] center of mass motion Tsjerk Wassenaar
[gmx-users] Re: dssp on PC Christoph Weise
[gmx-users] temp plot Christoph Weise
[gmx-users] Fwd: Help regarding Gromac installation with MPI Christoph Weise
[gmx-users] couple several systems Rongliang Wu
[gmx-users] Problem with gromacs-3.3 using PME Rongliang Wu
[gmx-users] extract certain structure from trajectory Rongliang Wu
[gmx-users] polarizable pair potentials Rongliang Wu
[gmx-users] other gro file available? Rongliang Wu
[gmx-users] sw water problem Rongliang Wu
[gmx-users] coordinate file is mandatory? Rongliang Wu
[gmx-users] the screen output Rongliang Wu
[gmx-users] Re: Updating to 3.3 version... Yujie Wu
[gmx-users] Re: Re: RMSD in total energy Yujie Wu
[gmx-users] Position restrained MD X.Periole
[gmx-users] replica exchange X.Periole
[gmx-users] replica exchange X.Periole
[gmx-users] Re: velocities not rescaled X.Periole
[gmx-users] Re: velocities not rescaled X.Periole
[gmx-users] Error message in g_rms X.Periole
[gmx-users] Ene mapping interactions protein-membrane X.Periole
[gmx-users] a query.... X.Periole
[gmx-users] restrainted set of simulations X.Periole
[gmx-users] a query.... X.Periole
[gmx-users] a query.... X.Periole
[gmx-users] protein membrane water simulations Weidong Xin
[gmx-users] Gromacs on SGI Altix Mingfeng Yang
[gmx-users] Gromacs on SGI Altix Mingfeng Yang
[gmx-users] Gromacs on SGI Altix Mingfeng Yang
[gmx-users] Gromacs on SGI Altix Mingfeng Yang
[gmx-users] implicit solvent Mingfeng Yang
[gmx-users]Thanks! Yang Ye
[gmx-users] mdrun parallel error Yang Ye
[gmx-users] writing output Yang Ye
[gmx-users] other gro file available? Yang Ye
[gmx-users] Energy minimization Yang Ye
[gmx-users] extend md with tpbconv and sort/shuffle Yang Ye
[gmx-users] genbox/editconf Yang Ye
[gmx-users] genion error Yang Ye
[gmx-users] re K+ ion Yang Ye
[gmx-users] genion error Yang Ye
[gmx-users] Error in GROMACS installtion in CYGWIN Yang Ye
[gmx-users] re K+ ion Yang Ye
[gmx-users] re K+ ion Yang Ye
[gmx-users] Error in installation Yang Ye
[gmx-users] where is the forcefield parameter read in? Yang Ye
[Bulk] [gmx-users] Issue in configure of LAM in Cygwin Yang Ye
[gmx-users] incomplete frame from .trr file Yang Ye
[gmx-users] Re: Re: Re: temperature and pressure values Yang Ye
[gmx-users] a query.... Yang Ye
[gmx-users] lateral and radial tilts question Serge Yefimov
[gmx-users] lateral and radial tilts question Serge Yefimov
[gmx-users] Re: Updating to 3.3 version... Absalom Zamorano
[gmx-users] ffG45a3 force field rtp file Dongsheng Zhang
[gmx-users] Re: ffG45a3 force field rtp file Dongsheng Zhang
[gmx-users] visualize normal mode Lianqing Zheng
[gmx-users] dssp on PC Wang Zhun
[gmx-users] RE:initial configuration of ionic liquid systems cesar
[gmx-users]Contradictory found on page 125/134 of manual-3.2.pdf Junfang.Zhang at csiro.au
[gmx-users] RE: Gromacs/user defined functions Junfang.Zhang at csiro.au
[gmx-users] Table.xvg Junfang.Zhang at csiro.au
[gmx-users] Dummy particle Junfang.Zhang at csiro.au
[gmx-users] genbox/editconf Junfang.Zhang at csiro.au
[gmx-users] genbox/editconf Junfang.Zhang at csiro.au
[gmx-users] how to search the parameter file Junfang.Zhang at csiro.au
[gmx-users] force fields & Ryckaert-Bellemans torsional potential dimka
[gmx-users] extend the order of Ryckaert-Bellemans dihedral dimka
[gmx-users] Problem to run more than 2 NPT REMD replicas pascal.baillod at epfl.ch
[gmx-users] Problem to run more than 2 NPT REMD replicas - 4 pascal.baillod at epfl.ch
[gmx-users] Problem to run more than 2 NPT REMD replicas - bug?? pascal.baillod at epfl.ch
[gmx-users] Computing prot pot ener in the gmx code pascal.baillod at epfl.ch
[gmx-users] Re: Computing prot pot ener in the gmx code pascal.baillod at epfl.ch
[gmx-users] center of mass motion herbst at fhi-berlin.mpg.de
[gmx-users] center of mass motion herbst at fhi-berlin.mpg.de
[gmx-users] center of mass motion herbst at fhi-berlin.mpg.de
[gmx-users] shorten the .job output herbst at fhi-berlin.mpg.de
[gmx-users] shorten the .job output herbst at fhi-berlin.mpg.de
[gmx-users] shorten the .job output herbst at fhi-berlin.mpg.de
[gmx-users] simulation crash herbst at fhi-berlin.mpg.de
[gmx-users] Fwd: Help regarding Gromac installation with MPI sachin hegde
[gmx-users] Fwd: Help regarding Gromac installation with MPI sachin hegde
[gmx-users] Inserting water to active site hnam
[gmx-users] mdrun problem hnam
[gmx-users] mdrun parallel error hnam
[gmx-users] extend md with tpbconv and sort/shuffle spitaleri.andrea at hsr.it
[gmx-users] Locally Enhanced Sampling msonoda at iqm.unicamp.br
[gmx-users] Locally Enhanced Sampling msonoda at iqm.unicamp.br
[gmx-users] where is the forcefield parameter read in? jiqing
[gmx-users] how to search the parameter file lali.s
[gmx-users] APBS solvent lali.s
[gmx-users] is there a error in manual? sangyongliang99 at mails.tsinghua.edu.cn
[gmx-users] (no subject) aloks at mbu.iisc.ernet.in
[gmx-users] a query.... meetmaagi
[gmx-users] Huge trr files hseara at netscape.net
[gmx-users] temp and press coupling maria papadopoulou
[gmx-users] pdb2gmx showing error for FE in protein raja
[gmx-users] Error in GROMACS installtion in CYGWIN raja
[gmx-users] (no subject) raja
[gmx-users] (no subject) raja
[gmx-users] Issue in configure of LAM in Cygwin raja
[gmx-users] eps file to ps or pdf format raja
[gmx-users] links upolzben at savba.sk
[gmx-users] (no subject) shailza singh
[gmx-users] Helo to Gromacs users around the World. jaimohan sm
[gmx-users] Re: gmx-users Digest, Vol 21, Issue 65 jaimohan sm
[gmx-users] Re: gmx-users Digest, Vol 21, Issue 69 jaimohan sm
[gmx-users] gmx-users Digest, Vol 21, Issue 74 jaimohan sm
[gmx-users] Ene mapping interactions protein-membrane andrea spitaleri
[gmx-users] genion error bharat at sscu.iisc.ernet.in
[gmx-users] gen_vel and lincs error tprq at superposta.com
[gmx-users] ge_vel and lincs error tprq at superposta.com
[gmx-users] gromacs 3.3 build on x86_64 Reinh.Bader at t-online.de
[gmx-users] make hole nada taib
[gmx-users] tilt angle taveechai taveecharoenkool
[gmx-users] K ion taveechai taveecharoenkool
[gmx-users] re K+ ion taveechai taveecharoenkool
[gmx-users] re K+ ion taveechai taveecharoenkool
[gmx-users] re K+ ion taveechai taveecharoenkool
[gmx-users] incomplete frame from .trr file taveechai taveecharoenkool
[gmx-users] problem with gromacs installation on SGI dastmalchi.s at tbzmed.ac.ir
[gmx-users] dssp on PC dastmalchi.s at tbzmed.ac.ir
[gmx-users] dssp on PC dastmalchi.s at tbzmed.ac.ir
[gmx-users] Re: dssp on PC dastmalchi.s at tbzmed.ac.ir
[gmx-users] Installation problem on O2 SGI dastmalchi.s at tbzmed.ac.ir
[gmx-users] conversion of OPLS dihedrals to RB parameters mernst at tricity.wsu.edu
[gmx-users] "B" state for free energy corrupts minimization? mernst at tricity.wsu.edu
[gmx-users] Table.xvg leafyoung81-group at yahoo.com
[gmx-users] mdrun problem leafyoung81-group at yahoo.com
[gmx-users] center of mass motion leafyoung81-group at yahoo.com
[gmx-users] center of mass motion leafyoung81-group at yahoo.com
[gmx-users] Dump with trjconv - periodic coordinates leafyoung81-group at yahoo.com
[gmx-users] Conbination rule leafyoung81-group at yahoo.com
[gmx-users] MD run error leafyoung81-group at yahoo.com
[gmx-users] assembly loops for multiple architectures leafyoung81-group at yahoo.com
[gmx-users] Problem with gromacs-3.3 using PME leafyoung81-group at yahoo.com
[gmx-users] writing output leafyoung81-group at yahoo.com
[gmx-users] [Fwd: Reg configuration of GROMACS in cygwin] leafyoung81-group at yahoo.com
[gmx-users] (no subject) leafyoung81-group at yahoo.com
[gmx-users] G43a1 RNA dihedrals leafyoung81-group at yahoo.com
[gmx-users] Helo to Gromacs users around the World. leafyoung81-group at yahoo.com
[gmx-users] ge_vel and lincs error leafyoung81-group at yahoo.com
[gmx-users] O2 leafyoung81-group at yahoo.com
[gmx-users] Installation problem on O2 SGI leafyoung81-group at yahoo.com
[gmx-users] a query.... leafyoung81-group at yahoo.com
[gmx-users] a query.... leafyoung81-group at yahoo.com
[gmx-users] constrained minimization rob yang
[gmx-users] constrained minimization rob yang
[gmx-users] gromos forcefield rob yang
[gmx-users] constrained minimization rob yang
[gmx-users] constrained minimization rob yang
[gmx-users] (no subject) rob yang
[gmx-users] Re:gromos torsion param rob yang
[gmx-users] Re:gromos torsion param rob yang
[gmx-users] how to understand the sentence nk yx
[gmx-users] protonate programs in gromacs3.3 이 선주

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