April 2007 Archives by thread

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Starting: Sun Apr 1 04:31:42 CEST 2007
Ending: Mon Apr 30 11:45:59 CEST 2007
Messages: 437

• [gmx-users] Running GROMACS in PBS   Mark Abraham
  • [gmx-users] Running GROMACS in PBS   Triguero, Luciano O
    • [gmx-users] Running GROMACS in PBS   Mark Abraham
• [gmx-users] Missing LJ interaction   Mark Abraham
  • [gmx-users] Missing LJ interaction   Steve Fiedler
    • [gmx-users] Missing LJ interaction   David van der Spoel
      • [gmx-users] Missing LJ interaction   Steve Fiedler
• [gmx-users] Re: bug in ffoplsaanb.itp?   David Mobley
• [gmx-users] query about making a pdb file   Eric Jakobsson
• [gmx-users] about toplogy file   amit jain
• [gmx-users] PRODRUG itp-file is not understood by grompp   Anastassia Alexandrova
  • [gmx-users] positive 1-4 energy sum   merc mertens
    • [gmx-users] positive 1-4 energy sum   David van der Spoel
• [gmx-users] topology doesnt match   Robert Selwyne
  • [gmx-users] topology doesnt match   Triguero, Luciano O
  • [gmx-users] topology doesnt match   Mark Abraham
• [gmx-users] Running GROMACS in PBS   Florian Haberl
• [gmx-users] compare simulations between wt and mutate protein   spitaleri.andrea at hsr.it
  • [gmx-users] compare simulations between wt and mutate protein   Pedro Alexandre de Araújo Gomes Lapido Loureiro
    • [gmx-users] compare simulations between wt and mutate protein   Tsjerk Wassenaar
      • [gmx-users] compare simulations between wt and mutate protein   Nguyen Hoang Phuong
• [gmx-users] ordered all-to-all patch   chris.neale at utoronto.ca
  • [gmx-users] ordered all-to-all patch   Carsten Kutzner
• [gmx-users] ordered all-to-all patch   Chris Neale
  • [gmx-users] ordered all-to-all patch   Marc F. Lensink
  • [gmx-users] ordered all-to-all patch   Carsten Kutzner
• [gmx-users] ordered all-to-all patch   Chris Neale
• [gmx-users] re: g_rms v. g_rmsdist   Gleb Solomentsev
  • [gmx-users] re: g_rms v. g_rmsdist   Tsjerk Wassenaar
• [gmx-users] background charge   baloilgiullare at interfree.it
  • [gmx-users] background charge   Berk Hess
• [gmx-users] request for patch and test program from 'Speeding up Parallel GROMACS'   David Konerding
  • [gmx-users] request for patch and test program from 'Speeding up Parallel GROMACS'   Carsten Kutzner
• [gmx-users] Compile Gromacs for Blue Gene/L   Mike Hanby
  • [gmx-users] Compile Gromacs for Blue Gene/L   Yang Ye
  • [gmx-users] Compile Gromacs for Blue Gene/L   Eric Jakobsson
    • [gmx-users] Compile Gromacs for Blue Gene/L   David van der Spoel
      • [gmx-users] Compile Gromacs for Blue Gene/L   Eric Jakobsson
      • [gmx-users] Compile Gromacs for Blue Gene/L   Erik Lindahl
• [gmx-users] pairs types for decoupling   David Mobley
  • [gmx-users] pairs types for decoupling   Berk Hess
• [gmx-users] error in .trr files   Rakesh Mishra
  • [gmx-users] error in .trr files   Mark Abraham
• [gmx-users] other output format of Matrix Data than xpm format   Florian Haberl
  • [gmx-users] other output format of Matrix Data than xpm format   Berk Hess
    • [gmx-users] other output format of Matrix Data than xpm format   Ran Friedman
      • [gmx-users] other output format of Matrix Data than xpm format   Tsjerk Wassenaar
• [gmx-users] GROMACS 3.3.1 Parallel Run   Sunny
  • [gmx-users] GROMACS 3.3.1 Parallel Run   Mark Abraham
• [gmx-users] protein membrane simulation   maite lopez
  • [gmx-users] protein membrane simulation   Viswanadham Sridhara
  • [gmx-users] protein membrane simulation   David van der Spoel
• [gmx-users] protein membrane simulation   Chris Neale
  • [gmx-users] protein membrane simulation   Tsjerk Wassenaar
    • [gmx-users] protein membrane simulation   maite lopez
      • [gmx-users] protein membrane simulation   Tsjerk Wassenaar
      • [gmx-users] protein membrane simulation   maite lopez
      • [gmx-users] protein membrane simulation   Tsjerk Wassenaar
• [gmx-users] other output format of Matrix Data than xpm format   Tsjerk Wassenaar
  • [gmx-users] electrostatic and vdw energies from snapshots   merc mertens
    • [gmx-users] electrostatic and vdw energies from snapshots   Tsjerk Wassenaar
      • [gmx-users] electrostatic and vdw energies from snapshots   merc mertens
• [gmx-users] Re: electrostatic and vdw energies from snapshots   Mauricio Pablo Sica
• [gmx-users] Prot_prep_problem   pkmukher
  • [gmx-users] Prot_prep_problem   David van der Spoel
• [gmx-users] hessian_matrix_from_ordered_trajectory   Sang-Min Park
  • [gmx-users] hessian_matrix_from_ordered_trajectory   Tsjerk Wassenaar
  • [gmx-users] hessian_matrix_from_ordered_trajectory   H.J.Risselada
• [gmx-users] modify C6 directly in FF using sigma and epsilon   David Mobley
  • [gmx-users] modify C6 directly in FF using sigma and epsilon   Ryogo Sugitani
    • [gmx-users] modify C6 directly in FF using sigma and epsilon   David van der Spoel
      • [gmx-users] modify C6 directly in FF using sigma and epsilon   David Mobley
      • [gmx-users] modify C6 directly in FF using sigma and epsilon   David van der Spoel
      • [gmx-users] modify C6 directly in FF using sigma and epsilon   David Mobley
      • [gmx-users] modify C6 directly in FF using sigma and epsilon   Mu Yuguang (Dr)
      • [gmx-users] modify C6 directly in FF using sigma and epsilon   David Mobley
      • [gmx-users] modify C6 directly in FF using sigma and epsilon   Ryogo Sugitani
      • [gmx-users] modify C6 directly in FF using sigma and epsilon   David van der Spoel
  • [gmx-users] modify C6 directly in FF using sigma and epsilon   Mu Yuguang (Dr)
• [gmx-users] Blue Gene compilation error "cannot compute sizeof (int) 77   Mike Hanby
  • [gmx-users] Blue Gene compilation error "cannot compute sizeof (int) 77   David van der Spoel
• [gmx-users] DPPC bilayer simulation crash   Michael Skaug
  • [gmx-users] DPPC bilayer simulation crash   Mark Abraham
    • [gmx-users] DPPC bilayer simulation crash   Pedro Alexandre de Araújo Gomes Lapido Loureiro
• [gmx-users] Can you help me ?   job560 at sohu.com
  • [gmx-users] Can you help me ?   Mu Yuguang (Dr)
  • [gmx-users] Can you help me ?   Mark Abraham
  • [gmx-users] Can you help me ?   Yang Ye
• [gmx-users] Re: please help me   Mark Abraham
• [gmx-users] Using ffgmx and ffG43a1 topologies   Venky Krishna
  • [gmx-users] Using ffgmx and ffG43a1 topologies   Tsjerk Wassenaar
• [gmx-users] Re: Can you help me ? (Yang Ye)   Mauricio Pablo Sica
• [gmx-users] Query regarding PDB2gmx   Jagannath Mondal
  • [gmx-users] Query regarding PDB2gmx   David van der Spoel
• [gmx-users] benchmarking results   vipin sachdeva
  • [gmx-users] benchmarking results   David van der Spoel
• [gmx-users] Permissions Problems with a New Installation   Stephen P. Molnar, Ph.D.
  • [gmx-users] Permissions Problems with a New Installation   David van der Spoel
• [gmx-users] (no subject)   黄永棋
  • [gmx-users] (no subject)   Mark Abraham
• [gmx-users] query regarding topology file   Jagannath Mondal
  • [gmx-users] query regarding topology file   Mark Abraham
• [gmx-users] slight mistake in data angdist.xvg file   Rongliang Wu
• [gmx-users] how to submit replica exchange MD simulation   N-J.M. Macaluso
  • [gmx-users] how to submit replica exchange MD simulation   David van der Spoel
    • [gmx-users] how to submit replica exchange MD simulation   N-J.M. Macaluso
• [gmx-users] benchmark numbers   vipin sachdeva
  • [gmx-users] benchmark numbers   David van der Spoel
    • [gmx-users] benchmark numbers   vipin sachdeva
      • [gmx-users] benchmark numbers   vipin sachdeva
      • [gmx-users] benchmark numbers   David van der Spoel
      • [gmx-users] benchmark numbers   vipin sachdeva
      • [gmx-users] benchmark numbers   David van der Spoel
• [gmx-users] gromos   Ashish Gupta
  • [gmx-users] gromos   David van der Spoel
• [gmx-users] internal consistency warning in grompp not repeated at end of stderr output   Chris Neale
  • [gmx-users] internal consistency warning in grompp not repeated at end of stderr output   David van der Spoel
• [gmx-users] MD simulation of 2 molecules in a system   Alif M Latif
  • [gmx-users] MD simulation of 2 molecules in a system   David van der Spoel
  • [gmx-users] MD simulation of 2 molecules in a system   Mark Abraham
• [gmx-users] g_energy   mahbubeh zarrabi
  • [gmx-users] g_energy   David van der Spoel
• [gmx-users] energy   mahbubeh zarrabi
  • [gmx-users] energy   David van der Spoel
• [gmx-users] calculating properties of polyaromatics using gromacs   Fredrik Blomgren
  • [gmx-users] calculating properties of polyaromatics using gromacs   Tsjerk Wassenaar
• [gmx-users] internal consistency warning in grompp not repeated at end of stderr output   Chris Neale
• [gmx-users] small molecules simulation   root
  • [gmx-users] small molecules simulation   Mark Abraham
    • [gmx-users] small molecules simulation   Tsjerk Wassenaar
• [gmx-users] Woodcrest results   vipin sachdeva
  • [gmx-users] Woodcrest results   David van der Spoel
    • [gmx-users] Woodcrest results   vipin sachdeva
      • [gmx-users] Woodcrest results   David van der Spoel
      • [gmx-users] Woodcrest results   vipin sachdeva
• [gmx-users] Running multiple kernels   Justin M. Shorb
  • [gmx-users] Running multiple kernels   Erik Lindahl
• [gmx-users] --enable-threads fails.   vipin sachdeva
  • [gmx-users] --enable-threads fails.   David van der Spoel
  • [gmx-users] --enable-threads fails.   Erik Lindahl
    • [gmx-users] --enable-threads fails.   vipin sachdeva
      • [gmx-users] --enable-threads fails.   Erik Lindahl
• [gmx-users] BHIS for HIS?   Rongliang Wu
  • [gmx-users] BHIS for HIS?   Tsjerk Wassenaar
    • [gmx-users] BHIS for HIS?   Erik Lindahl
• [gmx-users] total simulation time for proteins in general   Priya Chandran
  • [gmx-users] total simulation time for proteins in general   Mark Abraham
  • [gmx-users] total simulation time for proteins in general   Erik Lindahl
• [gmx-users] energy minimization error   李睿
  • [gmx-users] energy minimization error   Yang Ye
• [gmx-users] question about the total-energy of energy minimization   Qiao Baofu
  • [gmx-users] question about the total-energy of energy minimization   Mark Abraham
• [gmx-users] overcome the integration problem (installing CVS)   Dr Itamar Kass
  • [gmx-users] overcome the integration problem (installing CVS)   Yang Ye
    • [gmx-users] overcome the integration problem (installing CVS)   David van der Spoel
      • [gmx-users] overcome the integration problem (installing CVS)   Berk Hess
• [gmx-users] Hi all   ann rose
  • [gmx-users] Hi all   Mark Abraham
• [gmx-users] Prot_prep_problem   pkmukher
  • [gmx-users] Prot_prep_problem   andrea spitaleri
    • [gmx-users] Prot_prep_problem   andrea spitaleri
• [gmx-users] Prot_prep_query   pkmukher
  • [gmx-users] Prot_prep_query   Tsjerk Wassenaar
• [gmx-users] overcome the integration problem (installing CVS)   Michael Shirts
  • [gmx-users] overcome the integration problem (installing CVS)   David van der Spoel
  • [gmx-users] overcome the integration problem (installing CVS)   Berk Hess
• [gmx-users] Re:overcome the integration problem (installing CVS)   Michael Shirts
  • [gmx-users] Re:overcome the integration problem (installing CVS)   Berk Hess
• [gmx-users] soft-core potential in combination with PME (sorry, again)   Jeroen van Bemmelen
  • [gmx-users] soft-core potential in combination with PME (sorry, again)   Berk Hess
• [gmx-users] wall_atomtype   Manuel Valera
  • [gmx-users] wall_atomtype   Berk Hess
• [gmx-users] Prot_prep_query   pkmukher
• [gmx-users] Ligand_charges   pkmukher
  • [gmx-users] Ligand_charges   David van der Spoel
• [gmx-users] soft-core potential in combination with PME (sorry, again)   Jeroen van Bemmelen
  • [gmx-users] soft-core potential in combination with PME (sorry, again)   Berk Hess
    • [gmx-users] soft-core potential in combination with PME (sorry, again)   David Mobley
      • [gmx-users] soft-core potential in combination with PME (sorry, again)   Berk Hess
      • [gmx-users] soft-core potential in combination with PME (sorry, again)   Maik Goette
• [gmx-users] Force Field Problem   selent at gmx.de
• [gmx-users] Warning: 1-4 interaction   Joern Lenz
• [gmx-users] Fwd: Warning: 1-4 interaction   Joern Lenz
  • [gmx-users] Fwd: Warning: 1-4 interaction   Mark Abraham
• [gmx-users] Re: Ligand_charges   pkmukher
  • [gmx-users] Re: Ligand_charges   Mark Abraham
    • [gmx-users] Re: Ligand_charges   David Mobley
• [gmx-users] query regarding a topology file   Jagannath Mondal
  • [gmx-users] query regarding a topology file   Dallas B. Warren
    • [gmx-users] query regarding a topology file   Jagannath Mondal
      • [gmx-users] query regarding a topology file   Tsjerk Wassenaar
• [gmx-users] soft-core potential in combination with PME   Jeroen van Bemmelen
• [gmx-users] what are the options for implicit solvent in Gromacs?   Jagannath Mondal
  • [gmx-users] what are the options for implicit solvent in Gromacs?   David van der Spoel
    • [gmx-users] what are the options for implicit solvent in Gromacs?   Jagannath Mondal
      • [gmx-users] what are the options for implicit solvent in Gromacs?   Mark Abraham
• [gmx-users] simulate a substrate-bound enzyme   Rui Li
  • [gmx-users] ED analysis: help on cosine content and overlap of the fluctuations   Caterina Arcangeli
    • [gmx-users] ED analysis: help on cosine content and overlap of the fluctuations   Ran Friedman
      • [gmx-users] ED analysis: help on cosine content and overlap ofthe fluctuatio   Berk Hess
      • [gmx-users] ED analysis: help on cosine content and overlap of the fluctuatio   Caterina Arcangeli
• [gmx-users] ED analysis: help on cosine content and overlap of the fluctuations   Alan Dodd
  • [gmx-users] ED analysis: help on cosine content and overlap of the fluctuations   Caterina Arcangeli
• [gmx-users] Re: simulate a substrate-bound enzyme   Mauricio Pablo Sica
• [gmx-users] Re: simulate a substrate-bound enzyme   Rui Li
  • [gmx-users] Re: simulate a substrate-bound enzyme   Mark Abraham
• [gmx-users] Re:Re:Re: simulate a substrate-bound enzyme   Mauricio Pablo Sica
• [gmx-users] [Fwd: g_sas in GROMACS]   David van der Spoel
  • [gmx-users] [Fwd: g_sas in GROMACS]   David van der Spoel
• [gmx-users] lambda   özge kül
  • [gmx-users] lambda   Mark Abraham
• [gmx-users] protein constrained, ligand ot constrained   mollica.luca at hsr.it
  • [gmx-users] protein constrained, ligand ot constrained   Lars.Schaefer at mpi-bpc.mpg.de
• [gmx-users] QM/MM investigate phosphorylation/dephosphorylation in kinase   Qiang Zhong
• [gmx-users] Re: conserved quantity   Michael Shirts
• [gmx-users] Fatal error: Protein_A   gbastian at pasteur.fr
• [gmx-users] Fatal error: Protein_A   gbastian at pasteur.fr
  • [gmx-users] Fatal error: Protein_A   David van der Spoel
    • [gmx-users] Fatal error: Protein_A   Tsjerk Wassenaar
• [gmx-users] Fatal error: Protein_A   leafyoung81-group at yahoo.com
• [gmx-users] on NVE and pressure   lorix
  • [gmx-users] on NVE and pressure   Berk Hess
    • [gmx-users] on NVE and pressure   lorix
      • [gmx-users] on NVE and pressure   Berk Hess
      • [gmx-users] on NVE and pressure   lorix
      • [gmx-users] on NVE and pressure   andrew stelzer
      • [gmx-users] on NVE and pressure   Berk Hess
  • [gmx-users] on NVE and pressure   H.J.Risselada
• [gmx-users] Large VCM problems   Dechang Li
• [gmx-users] it may b a bug.....i dont know   uma reddy
  • [gmx-users] it may b a bug.....i dont know   Justin Lemkul
  • [gmx-users] it may b a bug.....i dont know   Mark Abraham
• [gmx-users] Please help me! double precision of gromacs !   job560 at sohu.com
  • [gmx-users] Please help me! double precision of gromacs !   Dallas B. Warren
  • [gmx-users] Please help me! double precision of gromacs !   Mark Abraham
• [gmx-users] Self-Assembly Method   Alif M Latif
  • [gmx-users] Self-Assembly Method   David van der Spoel
• [gmx-users] Release of the R.E.D.-III tools   FyD
• [gmx-users] UNABLE TO GENERATE TOPOLOGY   Subhrangshu Supakar
  • [gmx-users] UNABLE TO GENERATE TOPOLOGY   Robert Selwyne
  • [gmx-users] UNABLE TO GENERATE TOPOLOGY   Tsjerk Wassenaar
• [gmx-users] Preliminary report on benchmark on Opteron Cluster Infiniband on current CVS version   Luca Ferraro
  • [gmx-users] Preliminary report on benchmark on Opteron Cluster Infiniband on current CVS version   Erik Lindahl
    • [gmx-users] Preliminary report on benchmark on Opteron Cluster Infiniband on current CVS version   David van der Spoel
  • [gmx-users] Preliminary report on benchmark on Opteron Cluster Infiniband on current CVS version   Florian Haberl
• [gmx-users] soft-core potential in combination with PME   Jeroen van Bemmelen
  • [gmx-users] soft-core potential in combination with PME   David Mobley
• [gmx-users] Changing cos_acceleration   toma0052
  • [gmx-users] Changing cos_acceleration   David van der Spoel
• [gmx-users] Fatal error: 126 atoms are not part of any of the T-Coupling groups   Joern Lenz
  • [gmx-users] Fatal error: 126 atoms are not part of any of the T-Coupling groups   David van der Spoel
    • [gmx-users] Fatal error: 126 atoms are not part of any of the T-Coupling groups   Erik Marklund
  • [gmx-users] Fatal error: 126 atoms are not part of any of the T-Coupling groups   Mark Abraham
• [gmx-users] [Re]: Preliminary report on benchmark on Opteron Cluster Infiniband on current CVS version   Luca Ferraro
  • [gmx-users] [Re]: Preliminary report on benchmark on Opteron Cluster Infinib   Berk Hess
  • [gmx-users] [Re]: Preliminary report on benchmark on Opteron Cluster Infiniband on current CVS version   David van der Spoel
• [gmx-users] time step size and non bond constraint   kanin wichapong
  • [gmx-users] time step size and non bond constraint   Mark Abraham
• [gmx-users] Question about the dihedral potential ....   Sergio Garay
  • [gmx-users] Question about the dihedral potential ....   David van der Spoel
  • [gmx-users] Question about the dihedral potential ....   Mark Abraham
• [gmx-users] Why did it start from the very beginning???   liu xin
  • [gmx-users] Why did it start from the very beginning???   Mark Abraham
    • [gmx-users] Why did it start from the very beginning???   liu xin
• [gmx-users] question energy   Elias santos
  • [gmx-users] question energy   David van der Spoel
• [gmx-users] distance restraints for a pdb file?   Robert Selwyne
  • [gmx-users] distance restraints for a pdb file?   David van der Spoel
• [gmx-users] libXm.so.3   WILLIAM R WELCH
  • [gmx-users] libXm.so.3   David van der Spoel
• [gmx-users] Location of files under Cygwin   toma0052
  • [gmx-users] Location of files under Cygwin   Mark Abraham
• [gmx-users] Energy Minimization problem   George Abadir
  • [gmx-users] Energy Minimization problem   Venky Krishna
    • [gmx-users] Energy Minimization problem   Erik Marklund
      • [gmx-users] Energy Minimization problem   George Abadir
      • [gmx-users] Energy Minimization problem   Mark Abraham
• [gmx-users] Energetics in collision   Janne Hirvi
  • [gmx-users] Energetics in collision   Erik Marklund
• [gmx-users] Re: Energetics in collision   Janne Hirvi
• [gmx-users] do_dssp crashes on certain machines..   pascal.baillod at epfl.ch
  • [gmx-users] do_dssp crashes on certain machines..   Mark Abraham
    • [gmx-users] do_dssp crashes on certain machines..   Florian Haberl
• [gmx-users] 2nd CMM 'Users Meet Developers' Workshop on QM/MM Simulations   Robert Johnson
  • [gmx-users] 2nd CMM 'Users Meet Developers' Workshop on QM/MM Simulations   yuemin liu
    • [gmx-users] 2nd CMM 'Users Meet Developers' Workshop on QM/MM Simulations   Robert Johnson
• [gmx-users] Location of files under Cygwin   toma0052
  • [gmx-users] Location of files under Cygwin   Mark Abraham
• [gmx-users] OPLS-AA dihedral angles   MURAT CETINKAYA
  • [gmx-users] OPLS-AA dihedral angles   Mark Abraham
• [gmx-users] Failed Energy Minimization   Justin M. Shorb
  • [gmx-users] Failed Energy Minimization   Mark Abraham
• [gmx-users] Re: Failed Energy Minimization   Jennifer Rendell
• [gmx-users] g_rmsf -res bug   Marco Pasi
• [gmx-users] Re: Re: Failed Energy Minimization   Justin M. Shorb
• [gmx-users] Problems with pdb2gmx simulating a iron-sulfur cluster   martinez
  • [gmx-users] Problems with pdb2gmx simulating a iron-sulfur cluster   Tsjerk Wassenaar
• [gmx-users] Problem with trjconv   Aline
  • [gmx-users] Problem with trjconv   David van der Spoel
• [gmx-users] Re: Re; Failed Energy Minimization (solved!)   Justin M. Shorb
  • [gmx-users] Re: Re; Failed Energy Minimization (solved!)   Erik Lindahl
• [gmx-users] regarding DOPC lipid parameters   naga raju
  • [gmx-users] regarding DOPC lipid parameters   Tsjerk Wassenaar
• [gmx-users] about specbond.dat   Rui Li
  • [gmx-users] about specbond.dat   David van der Spoel
• [gmx-users] Re: regarding DOPC lipid parameters   Chris Neale
• [gmx-users] How to get topology file for OPLS   Rui Li
  • [gmx-users] How to get topology file for OPLS   Mark Abraham
• [gmx-users] How to get topology file for OPLS   Rui Li
• [gmx-users] Problem with trjconv   Aline Rossi
  • [gmx-users] Problem with trjconv   Aline Rossi
    • [gmx-users] Problem with trjconv   Tsjerk Wassenaar
• [gmx-users] DOPC lipid bilayer   naga raju
  • [gmx-users] DOPC lipid bilayer   Tsjerk Wassenaar
  • [gmx-users] DOPC lipid bilayer   Mark Abraham
• [gmx-users] A special type of interaction   Александр Журавлев
  • [gmx-users] A special type of interaction   David van der Spoel
• [gmx-users] about total charge   Rui Li
  • [gmx-users] about total charge   Tsjerk Wassenaar
    • [gmx-users] about total charge   Erik Marklund
• [gmx-users] ffamber99p -- .hdb editing   Stas Bobritsky
  • [gmx-users] ffamber99p -- .hdb editing   Mark Abraham
  • [gmx-users] ffamber99p -- .hdb editing   Yang Ye
    • [gmx-users] ffamber99p -- .hdb editing   Tsjerk Wassenaar
• [gmx-users] Problems with pdb2gmx simulating a iron-sulfur cluster   martinez
  • [gmx-users] Problems with pdb2gmx simulating a iron-sulfur cluster   Tsjerk Wassenaar
• [gmx-users] about T-Coupling groups   Rui Li
  • [gmx-users] about T-Coupling groups   David van der Spoel
  • [gmx-users] about T-Coupling groups   Mark Abraham
• [gmx-users] Problems with pdb2gmx simulating a iron-sulfur cluster   martinez
  • [gmx-users] Problems with pdb2gmx simulating a iron-sulfur cluster   Tsjerk Wassenaar
• [gmx-users] Problems with pdb2gmx simulating a iron-sulfur cluster   martinez
• [gmx-users] about T-Coupling groups   Rui Li
  • [gmx-users] about T-Coupling groups   Yang Ye
• [gmx-users] conversion of xtc to g87 (amber) format trajectory files/bounding box problem?   Daniel Rigden
• [gmx-users] GROMACS compilation problem   Daniel Rigden
  • [gmx-users] GROMACS compilation problem   Erik Lindahl
    • [gmx-users] GROMACS compilation problem   Daniel Rigden
      • [gmx-users] GROMACS compilation problem   Erik Lindahl
  • [gmx-users] GROMACS compilation problem   David van der Spoel
• [gmx-users] Re: DOPC lipid bilayer   Chris Neale
• [gmx-users] How can I make commands non-interactive?   Arthur Roberts
  • [gmx-users] How can I make commands non-interactive?   David van der Spoel
    • [gmx-users] How can I make commands non-interactive?   Erik Marklund
• [gmx-users] grompp error   Triguero, Luciano O
  • [gmx-users] grompp error   Tsjerk Wassenaar
    • [gmx-users] grompp error   Triguero, Luciano O
• [gmx-users] Segmentation Fault   George Abadir
  • [gmx-users] Segmentation Fault   Mark Abraham
    • [gmx-users] Segmentation Fault   George Abadir
      • [gmx-users] Segmentation Fault   Tsjerk Wassenaar
      • [gmx-users] Segmentation Fault   George Abadir
• [gmx-users] solubility of PVME in TIP5P   kitty ji
  • [gmx-users] solubility of PVME in TIP5P   David van der Spoel
• [gmx-users] starting a peptide bilayer simulation run   nur avneet
  • [gmx-users] starting a peptide bilayer simulation run   Mark Abraham
• [gmx-users] Infinite CNT   Daniel Cheong
  • [gmx-users] Infinite CNT   David van der Spoel
  • [gmx-users] Infinite CNT   Daniel Cheong
    • [gmx-users] Infinite CNT   David van der Spoel
    • [gmx-users] Infinite CNT   Daniel Cheong
      • [gmx-users] Infinite CNT   David van der Spoel
      • [gmx-users] Infinite CNT   Daniel Cheong
• [gmx-users] more on converting xtc to g87   Daniel Rigden
  • [gmx-users] more on converting xtc to g87   Tsjerk Wassenaar
• [gmx-users] invalid order for directive position restraints   S O N A L I
  • [gmx-users] invalid order for directive position restraints   David Mobley
• [gmx-users] building lipid bilayer   naga raju
• [gmx-users] RMSD   Dhananjay
  • [gmx-users] RMSD   Robert Johnson
  • [gmx-users] RMSD   Florian Haberl
• [gmx-users] system goes out of the water box   bmmothan at ucalgary.ca
  • [gmx-users] system goes out of the water box   Justin Lemkul
  • [gmx-users] Protein in SDS, GROMOS96 ff, MD crash - SDS molecule comes apart, LINCS error   Venky Krishna
    • [gmx-users] Protein in SDS, GROMOS96 ff, MD crash - SDS molecule comes apart, LINCS error   Tsjerk Wassenaar
      • [gmx-users] Protein in SDS, GROMOS96 ff, MD crash - SDS molecule comes apart, LINCS error   Venky
      • [gmx-users] Protein in SDS, GROMOS96 ff, MD crash - SDS molecule comes apart, LINCS error   Tsjerk Wassenaar
      • [gmx-users] Protein in SDS, GROMOS96 ff, MD crash - SDS molecule comes apart, LINCS error   Venky Krishna
  • [gmx-users] system goes out of the water box   Dallas B. Warren
• [gmx-users] re: building lipid bilayer   chris.neale at utoronto.ca
• [gmx-users] How to preserve the original sequence number   Rui Li
• [gmx-users] starting a simulation of a peptide lipid bilayer   nur avneet
  • [gmx-users] starting a simulation of a peptide lipid bilayer   Tsjerk Wassenaar
• [gmx-users] Energy minimization: problems with ramachanrad score   dimitry.a.suplatov
  • [gmx-users] Energy minimization: problems with ramachanrad score   marcos
• [gmx-users] Meaning of n-n hydrogen bond   chetana baliga
  • [gmx-users] Meaning of n-n hydrogen bond   David van der Spoel
    • [gmx-users] Meaning of n-n hydrogen bond   ksr at chemistry.umass.edu
      • [gmx-users] Meaning of n-n hydrogen bond   David van der Spoel
      • [gmx-users] Meaning of n-n hydrogen bond   ksr at chemistry.umass.edu
• [gmx-users] gromacs -> amber trajectory conversion - resolution   Daniel Rigden
• [gmx-users] grompp problem: ERROR 12 [file "test.pdb.top", line 97]: atom MW4 (Res T4P-10) has mass 0   Joern Lenz
• [gmx-users] Extracting a sub-trajectory   quantrum75
  • [gmx-users] Extracting a sub-trajectory   David van der Spoel
• [gmx-users] re: starting a simulation of a peptide lipid bilayer   Chris Neale
• [gmx-users] request for dihedral PMF test system or complete alanine dipeptide topology file   Chris Neale
  • [gmx-users] request for dihedral PMF test system or complete alanine dipeptide topology file   David Mobley
• [gmx-users] request for dihedral PMF test system or complete alanine dipeptide topology file   Chris Neale
  • [gmx-users] request for dihedral PMF test system or complete alanine dipeptide topology file   David Mobley
• [gmx-users] Starting a simulation of a peptide lipid bilayer   nur avneet
  • [gmx-users] Starting a simulation of a peptide lipid bilayer   Tsjerk Wassenaar
  • [gmx-users] Starting a simulation of a peptide lipid bilayer   Mark Abraham
• [gmx-users] Re: request for dihedral PMF test system or complete alanine dipeptide topology file   Vojtěch Spiwok
• [gmx-users] To Tsjerk "Starting a simulation of a peptide lipid bilayer"   nur avneet
  • [gmx-users] To Tsjerk "Starting a simulation of a peptide lipid bilayer"   Tsjerk Wassenaar
• [gmx-users] g_msd and Diffusion coefficient   Yossi Tsfadia
• [gmx-users] Starting a simulation of a peptide   nur avneet
  • [gmx-users] Starting a simulation of a peptide   Tsjerk Wassenaar
  • [gmx-users] Starting a simulation of a peptide   Mark Abraham
• [gmx-users] rmdumbds problem   Александр Журавлев
  • [gmx-users] rmdumbds problem   David van der Spoel
• [gmx-users] Installing GROMACS 3.3.1 under IBM Power5 systems   Fiona Reid
• [gmx-users] PVT-simulation   Jiang ran
  • [gmx-users] PVT-simulation   David van der Spoel
• [gmx-users] Energy conservation in collision   Janne Hirvi
  • [gmx-users] Energy conservation in collision   Berk Hess
• [gmx-users] new default value for emtol with gromacs 3.3   Jennifer Rendell
• [gmx-users] Request for dihedral PMF test system or complete alanine dipeptide topology file   Chris Neale
  • [gmx-users] Request for dihedral PMF test system or complete alanine dipeptide topology file   David Mobley
    • [gmx-users] g_energy sum   merc mertens
      • [gmx-users] g_energy sum   Erik Lindahl
      • [gmx-users] g_energy sum   Erik Lindahl
      • [gmx-users] g_energy sum   merc mertens
      • [gmx-users] g_energy sum   Erik Lindahl
      • [gmx-users] g_energy sum   Berk Hess
• [gmx-users] fatal error   özge kül
• [gmx-users] RE: Energy conservation in collision   Janne Hirvi
  • [gmx-users] RE: Energy conservation in collision   Berk Hess
• [gmx-users] Torsional potential parametrization   Jarvist Frost
  • [gmx-users] Torsional potential parametrization   Mark Abraham
• [gmx-users] Re: gmx-users Digest, Vol 36, Issue 75   jiqing
• [gmx-users] Re: gmx-users Digest, Vol 36, Issue 76   jiqing
  • [gmx-users] Re: gmx-users Digest, Vol 36, Issue 76   Tsjerk Wassenaar
    • [gmx-users] Re: gmx-users Digest, Vol 36, Issue 76   Erik Lindahl
• [gmx-users] g_energy sum   merc mertens
• [gmx-users] No such moleculetype FE   Sonali
  • [gmx-users] No such moleculetype FE   Venky

Last message date: Mon Apr 30 11:45:59 CEST 2007
Archived on: Thu Nov 14 12:03:35 CET 2013

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