June 2006 Archives by thread

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Starting: Thu Jun 1 00:15:33 CEST 2006
Ending: Fri Jun 30 23:19:12 CEST 2006
Messages: 549

• [gmx-users] intel compiler + amd64: help needed.   Jones de Andrade
  • [gmx-users] intel compiler + amd64: help needed.   Yang Ye
  • [gmx-users] intel compiler + amd64: help needed.   David van der Spoel
    • [gmx-users] intel compiler + amd64: help needed.   Jones de Andrade
      • [gmx-users] intel compiler + amd64: help needed.   Erik Lindahl
      • [gmx-users] intel compiler + amd64: help needed.   Jones de Andrade
    • [gmx-users] intel compiler + amd64: help needed.   Jones de Andrade
      • [gmx-users] intel compiler + amd64: help needed.   Jones de Andrade
• [gmx-users] g_energy_d   Arindam Ganguly
  • [gmx-users] g_energy_d   Venky Krishna
• [gmx-users] POPC simulation   Venky Krishna
• [gmx-users] intel compiler + amd64: help needed.   Erik Lindahl
• [gmx-users] Buckingham instead of LJ.   karamyog singh
  • [gmx-users] Buckingham instead of LJ.   Mark Abraham
    • [gmx-users] Buckingham instead of LJ.   karamyog singh
      • [gmx-users] Buckingham instead of LJ.   David van der Spoel
• [gmx-users] Position restrain   Alessandro Mattozzi
  • [gmx-users] Position restrain   Uwe Richter
    • [gmx-users] Position restrain   Alessandro Mattozzi
      • [gmx-users] Position restrain   Maarten Wolf
• [gmx-users] freeenergy calculation   lalitha selvam
• [gmx-users] enabling threads in GROMACS   Jayant James Jayasundar
  • [gmx-users] enabling threads in GROMACS   David van der Spoel
  • [gmx-users] enabling threads in GROMACS   Yang Ye
• [gmx-users] do_dssp with no output!   Cesar Araujo
• [gmx-users] Problems Looking at Graphic Output   Zakharova, Natalia Leonidovna
  • [gmx-users] Problems Looking at Graphic Output   David van der Spoel
  • [gmx-users] Problems Looking at Graphic Output   cesar
    • [gmx-users] Problems Looking at Graphic Output   Venky Krishna
• [gmx-users] How do I redirect grompp errors to a file for parsing?   David Mobley
  • [gmx-users] How do I redirect grompp errors to a file for parsing?   David van der Spoel
  • [gmx-users] How do I redirect grompp errors to a file for parsing?   Tom Joseph
  • [gmx-users] How do I redirect grompp errors to a file for parsing?   gianluca santarossa
• [gmx-users] Steered Molecular Dynamics in GROMACS   Arneh Babakhani
• [gmx-users] How to turn 1-3 interactions on?   Jianwei Wang
  • [gmx-users] How to turn 1-3 interactions on?   David van der Spoel
• [gmx-users] Paralell problems...   Jorge Hernandez Fernandez
  • [gmx-users] Paralell problems...   Florian Haberl
• [gmx-users] Re: freeenergy calculation   Liang
• [gmx-users] free energy tutorial   bharat v. adkar
• [gmx-users] intel compiler + amd64: help needed.   David Mathog
  • [gmx-users] intel compiler + amd64: help needed.   Jones de Andrade
    • [gmx-users] intel compiler + amd64: help needed.   David van der Spoel
• [gmx-users] Re: free energy tutorial   mernst at tricity.wsu.edu
  • [gmx-users] Re: free energy tutorial   Tsjerk Wassenaar
    • [gmx-users] Re: free energy tutorial   David Mobley
      • [gmx-users] Re: free energy tutorial   David van der Spoel
      • [gmx-users] Re: free energy tutorial   Tsjerk Wassenaar
• [gmx-users] How to turn off charge groups   Jianwei Wang
  • [gmx-users] How to turn off charge groups   David van der Spoel
  • [gmx-users] How to turn off charge groups   Yang Ye
• [gmx-users] Hyperthreading throughput increase   mernst at tricity.wsu.edu
  • [gmx-users] Hyperthreading throughput increase   Erik Lindahl
• [gmx-users] zwitterionic amino acids   Debashis Dutta
  • [gmx-users] zwitterionic amino acids   David van der Spoel
• [gmx-users] LINCS WARNING "max 2022834176.000000 (between atoms 5655 and 5658) rms 81089176.000000"   SUN, Jian
• [gmx-users] Mdrun Error   Venky
• [gmx-users] gromacs parallel doesn't work   Beniamino Sciacca
  • [gmx-users] gromacs parallel doesn't work   Mark Abraham
    • [gmx-users] gromacs parallel doesn't work   Beniamino Sciacca
      • [gmx-users] gromacs parallel doesn't work   Yang Ye
      • [gmx-users] gromacs parallel doesn't work   Beniamino Sciacca
      • [gmx-users] gromacs parallel doesn't work   Yang Ye
      • [gmx-users] gromacs parallel doesn't work   Beniamino Sciacca
      • [gmx-users] gromacs parallel doesn't work   Yang Ye
      • [gmx-users] gromacs parallel doesn't work   Beniamino Sciacca
      • [gmx-users] gromacs parallel doesn't work   David van der Spoel
      • [gmx-users] gromacs parallel doesn't work   Yang Ye
      • [gmx-users] gromacs parallel doesn't work   Beniamino Sciacca
      • [gmx-users] gromacs parallel doesn't work   Miguel Ortiz-Lombardia
      • [gmx-users] gromacs parallel doesn't work   Arneh Babakhani
      • [gmx-users] gromacs parallel doesn't work   Mark Abraham
      • [gmx-users] gromacs parallel doesn't work   Arneh Babakhani
      • [gmx-users] gromacs parallel doesn't work   Beniamino Sciacca
      • [gmx-users] gromacs parallel doesn't work   Arneh Babakhani
      • [gmx-users] gromacs parallel doesn't work   David van der Spoel
      • [gmx-users] gromacs parallel doesn't work   Beniamino Sciacca
      • [gmx-users] gromacs parallel doesn't work   Miguel Ortiz-Lombardia
      • [gmx-users] gromacs parallel doesn't work   Florian Haberl
      • [gmx-users] gromacs parallel doesn't work   David van der Spoel
      • [gmx-users] gromacs parallel doesn't work   Mark Abraham
• [gmx-users] editconf   Beniamino Sciacca
  • [gmx-users] editconf   Mark Abraham
• [gmx-users] Help! LINCS WARNING &errors.   SUN, Jian
  • [gmx-users] Help! LINCS WARNING &errors.   David van der Spoel
• [gmx-users] Conformation free energy   esther
  • [gmx-users] Conformation free energy   David Mobley
• [gmx-users] cgnr charge classifying   davood ajloo
  • [gmx-users] cgnr charge classifying   David van der Spoel
    • [gmx-users] cgnr charge classifying   davood ajloo
      • [gmx-users] cgnr charge classifying   David van der Spoel
• [gmx-users] Help! LINCS WARNING &errors.   SUN, Jian
• [gmx-users] gromacs parallel doesn't work   Beniamino Sciacca
• [gmx-users] Lipid Order Parameters - Calculating & Plotting   Arneh Babakhani
• [gmx-users] g_order in Gromacs 3.3.1   Arneh Babakhani
• [gmx-users] gromcas parallel doesn't work   Beniamino Sciacca
• [gmx-users] Trajectory sampling   Alessandro Mattozzi
• [gmx-users] opls parameters for heme   Ran Friedman
  • [gmx-users] opls parameters for heme   Nathan C. Rockwell
• [gmx-users] opls parameters for heme   Valentin Gogonea
  • [gmx-users] index file for g_order   Arneh Babakhani
    • [gmx-users] index file for g_order   Alan Dodd
      • [gmx-users] index file for g_order   Arneh Babakhani
      • [gmx-users] index file for g_order   Alan Dodd
      • [gmx-users] index file for g_order   Arneh Babakhani
• [gmx-users] number of lambda values   Soren Enemark
  • [gmx-users] number of lambda values   David Mobley
    • SV: Re: [gmx-users] number of lambda values   Soren Enemark
      • [gmx-users] number of lambda values   David Mobley
• [gmx-users] forces in constraint   Beniamino Sciacca
• [gmx-users] Two doubts about GMX!   Samuel Silva Pita
  • [gmx-users] Two doubts about GMX!   Mark Abraham
    • [gmx-users] Two doubts about GMX!   Tsjerk Wassenaar
• [gmx-users] mdrun fatal error   Beniamino Sciacca
  • [gmx-users] mdrun fatal error   Mark Abraham
    • [gmx-users] mdrun fatal error   Beniamino Sciacca
      • [gmx-users] mdrun fatal error   Mark Abraham
      • [gmx-users] mdrun fatal error   Beniamino Sciacca
      • [gmx-users] mdrun fatal error   David van der Spoel
      • [gmx-users] mdrun fatal error   Beniamino Sciacca
      • [gmx-users] mdrun fatal error   David van der Spoel
• [gmx-users] Problem with continuation of simulation   Sridhar Acharya
  • [gmx-users] Problem with continuation of simulation   David van der Spoel
  • [gmx-users] Problem with continuation of simulation   Florian Haberl
• [gmx-users] Error in MD   amanda at lnls.br
• [gmx-users] gromacs tutorials   John E. Kerrigan
  • [gmx-users] gromacs tutorials   Erik Lindahl
• [gmx-users] help Gromacs futil.c error   hernan ahumada
  • [gmx-users] help Gromacs futil.c error   Mark Abraham
• [gmx-users] Re: gromacs tutorials   John E. Kerrigan
  • [gmx-users] GROMACS with MPICH on Sun Cluster   Alok
    • [gmx-users] GROMACS with MPICH on Sun Cluster   David van der Spoel
      • [gmx-users] GROMACS with MPICH on Sun Cluster   Alok
      • [gmx-users] GROMACS with MPICH on Sun Cluster   David van der Spoel
      • [gmx-users] GROMACS with MPICH on Sun Cluster   Alok
      • [gmx-users] GROMACS with MPICH on Sun Cluster   David van der Spoel
      • [gmx-users] GROMACS with MPICH on Sun Cluster   Alok
      • [gmx-users] GROMACS with MPICH on Sun Cluster   David van der Spoel
      • [gmx-users] GROMACS with MPICH on Sun Cluster   Alok
• [gmx-users] Execute GROMACS during a time interval   Ismael De Andrés Presa
• [gmx-users] Execute GROMACS during a time interval   Ismael De Andrés Presa
  • [gmx-users] Execute GROMACS during a time interval   David van der Spoel
• [gmx-users] Execute GROMACS during a time interval   Ismael De Andrés Presa
  • [gmx-users] Execute GROMACS during a time interval   David van der Spoel
  • [gmx-users] Execute GROMACS during a time interval   Florian Haberl
• [gmx-users] Error while running grompp   Rahul B Kasat
  • [gmx-users] Error while running grompp   Nathan C. Rockwell
    • [gmx-users] Error while running mdrun   Rahul B Kasat
• [gmx-users] Error while running grompp   Pakpoom Utta
• [gmx-users] Free energy of conformation   esther
  • [gmx-users] Free energy of conformation   David Mobley
• [gmx-users] Error while running mdrun   Dallas B. Warren
• [gmx-users] installing Gromacs with non-standard location of LAM/MPI   Ivica Res
  • [gmx-users] installing Gromacs with non-standard location of LAM/MPI   Mark Abraham
    • [gmx-users] installing Gromacs with non-standard location of LAM/MPI   Ivica Res
      • [gmx-users] installing Gromacs with non-standard location of LAM/MPI   Mark Abraham
      • [gmx-users] installing Gromacs with non-standard location of LAM/MPI   Erik Lindahl
• [gmx-users] -translate option in editconf   Chris Gaughan
  • [gmx-users] -translate option in editconf   Erik Lindahl
• [gmx-users] -translate option in editconf   Dallas B. Warren
• [gmx-users] N/A   sangeeta
  • [gmx-users] N/A   Jochen Hub
• [gmx-users] Freezing part of the molecules!!!   Marcelo Fabricio Masman
  • [gmx-users] Freezing part of the molecules!!!   MGiò
  • [gmx-users] Freezing part of the molecules!!!   Soren Enemark
    • [gmx-users] Freezing part of the molecules!!!   David van der Spoel
      • [gmx-users] Freezing part of the molecules!!!   Soren Enemark
      • [gmx-users] Freezing part of the molecules!!!   David van der Spoel
      • [gmx-users] Freezing part of the molecules!!!   Arneh Babakhani
      • [gmx-users] Freezing part of the molecules!!!   David van der Spoel
• [gmx-users] Trajectory sampling- NPT or NVT?   Alessandro Mattozzi
  • [gmx-users] Trajectory sampling- NPT or NVT?   David van der Spoel
    • [gmx-users] Trajectory sampling- NPT or NVT?   Alessandro Mattozzi
• [gmx-users] Free volume: Pass and Gromacs   Alessandro Mattozzi
  • [gmx-users] Free volume: Pass and Gromacs   David van der Spoel
    • [gmx-users] Free volume: Pass and Gromacs   Alessandro Mattozzi
      • [gmx-users] Free volume: Pass and Gromacs   Erik Marklund
• [gmx-users] shake vs settle for water   Rahul Godawat
  • [gmx-users] shake vs settle for water   David van der Spoel
• [gmx-users] diffusivity computations   Debashis Dutta
• [gmx-users] Heme parameters   Anthony Cruz
• [gmx-users] persistence length   syma
  • [gmx-users] persistence length   David van der Spoel
• [gmx-users] Re: shake vs settle for water   Rahul Godawat
• [gmx-users] Re: shake vs settle for water   Rahul Godawat
  • [gmx-users] Re: shake vs settle for water   David van der Spoel
• [gmx-users] AFM Pulling Rate   Bob Johnson
  • [gmx-users] AFM Pulling Rate   kobi
• [gmx-users] drift of simulation cell   Qing Zhu
  • [gmx-users] drift of simulation cell   David van der Spoel
    • [gmx-users] drift of simulation cell   Qing Zhu
      • [gmx-users] drift of simulation cell   David van der Spoel
• [gmx-users] gb_algorithm   Claudio J. Margulis
• [gmx-users] Fatal error   amanda at lnls.br
• [gmx-users] configuration, make, installation problem   Nevena Todorova
  • [gmx-users] configuration, make, installation problem   David van der Spoel
  • [gmx-users] configuration, make, installation problem   Mark Abraham
    • [gmx-users] configuration, make, installation problem   Mark Abraham
• [gmx-users] g_com   Alessandro Mattozzi
  • [gmx-users] g_com   Erik Lindahl
• [gmx-users] dialanine   Debashis Dutta
  • [gmx-users] dialanine   Tsjerk Wassenaar
• [gmx-users] Ambconv package   ajain1 at tulane.edu
• [gmx-users] compile GMX source code by VC 6.0   主月 ：）
  • [gmx-users] compile GMX source code by VC 6.0   Yang Ye
  • [gmx-users] compile GMX source code by VC 6.0   Mark Abraham
• [gmx-users] Re: Parameters for metals bonds inside proteins   David van der Spoel
• [gmx-users] L-J question   Anthony Cruz
  • [gmx-users] L-J question   David van der Spoel
• [gmx-users] Re: Parameters for metals bonds inside proteins   David van der Spoel
• [gmx-users] Gromacs-mpi with Rocks v4.0   Francisco Tufró
  • [gmx-users] Gromacs-mpi with Rocks v4.0   David van der Spoel
    • [gmx-users] Gromacs-mpi with Rocks v4.0   Francisco Tufró
      • [gmx-users] Gromacs-mpi with Rocks v4.0   Mark Abraham
      • [gmx-users] Gromacs-mpi with Rocks v4.0   kobi
      • [gmx-users] Gromacs-mpi with Rocks v4.0   Mark Abraham
      • [gmx-users] Gromacs-mpi with Rocks v4.0   kobi
      • [gmx-users] Gromacs-mpi with Rocks v4.0   Francisco Tufró
      • [gmx-users] Gromacs-mpi with Rocks v4.0   Arneh Babakhani
      • [gmx-users] Gromacs-mpi with Rocks v4.0   David van der Spoel
      • [gmx-users] Gromacs-mpi with Rocks v4.0   Arneh Babakhani
• [gmx-users] RE: Re: Parameters for metals bonds inside proteins   Alpay Temiz
• [gmx-users] Verlet algorithm in GROMACS   Jianwei Wang
• [gmx-users] Re: question about files   David van der Spoel
  • [gmx-users] Re: question about files   esther
• [gmx-users] grompp warning: atom names don't match - with respect to solvent   Arneh Babakhani
  • [gmx-users] grompp warning: atom names don't match - with respect to solvent   David van der Spoel
    • [gmx-users] grompp warning: atom names don't match - with respect to solvent   Arneh Babakhani
      • [gmx-users] grompp warning: atom names don't match - with respect to solvent   Kushal Seth
• [gmx-users] Re: Verlet algorithm in GROMACS   Michael Shirts
• [gmx-users] No topology   Edgar Mixcoha Hern=?ISO-8859-1?B?4Q==?=ndez
  • [gmx-users] No topology   David van der Spoel
    • [gmx-users] Protein is out the box   Edgar Mixcoha Hern=?ISO-8859-1?B?4Q==?=ndez
• [gmx-users] make_ndx problem   bharat v. adkar
  • [gmx-users] make_ndx problem   David van der Spoel
• [gmx-users] QM method or basisset (CPMD) is not implemented   Mahnam
  • [gmx-users] QM method or basisset (CPMD) is not implemented   Pradip Kumar Biswas
• [gmx-users] make_hole   mahbubeh zarrabi
• [gmx-users] Gromacs_qmmm problem   Mahnam
• [gmx-users] Adding hydrogen   Sheng Yong yang
  • [gmx-users] Adding hydrogen   David van der Spoel
• [gmx-users] grompp warning: atom names don't match - with respect to solvent   Arneh Babakhani
  • [gmx-users] grompp warning: atom names don't match - with respect to solvent   jahanshah ashkani
• [gmx-users] grompp error:Invalid order for directive defaults   Dongsheng Zhang
  • [gmx-users] grompp error:Invalid order for directive defaults   David van der Spoel
    • [gmx-users] grompp error:Invalid order for directive defaults   Dongsheng Zhang
      • [gmx-users] grompp error:Invalid order for directive defaults   David van der Spoel
      • [gmx-users] grompp error:Invalid order for directive defaults   Dongsheng Zhang
      • [gmx-users] grompp error:Invalid order for directive defaults   David Mobley
• [gmx-users] Shutting down in Windows2000   raja
  • [gmx-users] Shutting down in Windows2000   Mark Abraham
    • [gmx-users] Shutting down in Windows2000   raja
      • [gmx-users] Shutting down in Windows2000   David van der Spoel
• [gmx-users] re:grompp error:Invalid order for directive defaults   主月 ：）
• [gmx-users] Langevin dynamics question   syma
• [gmx-users] special molecule   Tamas Horvath
  • [gmx-users] special molecule   Mark Abraham
    • [gmx-users] special molecule   Dongsheng Zhang
      • [gmx-users] special molecule   Alan Dodd
      • [gmx-users] special molecule   Tamas Horvath
      • [gmx-users] special molecule   Mark Abraham
      • [gmx-users] special molecule   Tamas Horvath
      • [gmx-users] special molecule   Florian Haberl
      • [gmx-users] special molecule   Mark Abraham
      • [gmx-users] special molecule   Tamas Horvath
  • [gmx-users] special molecule   Dongsheng Zhang
• [gmx-users] protein problem   David van der Spoel
  • [gmx-users] protein problem   David van der Spoel
• [gmx-users] position and velocity in traj file & Verlet algorithm in GROMACS 3.3   Jianwei Wang
  • [gmx-users] position and velocity in traj file & Verlet algorithm in GROMACS 3.3   Mark Abraham
• [gmx-users] I want to stop this group   Pakpoom Utta
  • [gmx-users] I want to stop this group   Mark Abraham
• [gmx-users] regarding visualizing the output   lalitha selvam
  • [gmx-users] regarding visualizing the output   Tsjerk Wassenaar
• [gmx-users] problem with selenomethionine residues   Sridhar Acharya
• [gmx-users] pdb2gmx error, How to generate the gro and top file for a small molecular?   SUN, Jian
  • [gmx-users] pdb2gmx error, How to generate the gro and top file for a small molecular?   TJ Piggot
• [gmx-users] A problem with periodic boundary conditions   Olli Lehtonen
• [gmx-users] lincs error   Beniamino Sciacca
• [gmx-users] gromos87 to gromos96   Anthony Cruz
  • [gmx-users] gromos87 to gromos96   Mark Abraham
• [gmx-users] B-factor calculations   Jon Ellis
  • [gmx-users] B-factor calculations   David van der Spoel
• [gmx-users] manual-3.3.pdf   Akshay Patny
• [gmx-users] Protein is out the box   Dallas B. Warren
• [gmx-users] Capped Carbon nanotube   Rahul Godawat
• [gmx-users] Wrong Diffusion/Compressibility for Coarse-grained Water   verstraete.p at pg.com
• [gmx-users] Error: Not enough ref_t and tau_t values   Hiromichi Tsurui
  • [gmx-users] Error: Not enough ref_t and tau_t values   Tsjerk Wassenaar
    • [gmx-users] Error: Not enough ref_t and tau_t values   Hiromichi Tsurui
• [gmx-users] Need topology for selenomethionine   Sridhar Acharya
  • [gmx-users] Need topology for selenomethionine   David van der Spoel
• [gmx-users] mdrun error   Mahnam
  • [gmx-users] mdrun error with QM/MM with Gromacs-CPMD   Pradip Kumar Biswas
• [gmx-users] termini database   Debashis Dutta
  • [gmx-users] termini database   David van der Spoel
• [gmx-users] diffusivity computations   Debashis Dutta
  • [gmx-users] diffusivity computations   David van der Spoel
• [gmx-users] GROMACS in parallel   Akshay Patny
  • [gmx-users] GROMACS in parallel   Mark Abraham
• [gmx-users] quality of cluster strucutres   Mauricio Sica
  • [gmx-users] quality of cluster strucutres   David van der Spoel
• [gmx-users] g_hbond -hx bug ?   Marie-Pierre DURRIEU
• [gmx-users] GROMACS SGI Error   Akshay Patny
  • [gmx-users] GROMACS SGI Error   David van der Spoel
• [gmx-users] adding new residue (MSE) in topology database   anwar at cdfd.org.in
• [gmx-users] Pull code with angle constraints   Vojtěch Spiwok
• [gmx-users] mdrun error   Mahnam
  • [gmx-users] mdrun error   David van der Spoel
    • [gmx-users] mdrun error   Mahnam
• [gmx-users] adding new residue (MSE) in topology database   anwar at cdfd.org.in
  • [gmx-users] adding new residue (MSE) in topology database   Mark Abraham
• [gmx-users] adding new residue (MSE) in topology database   anwar at cdfd.org.in
• [gmx-users] email list archives problem on new web site   Moore, Jonathan (J)
• [gmx-users] Re: Re: quality of cluster strucutres (David van der Spoel)   Mauricio Sica
• [gmx-users] water molecules   Beniamino Sciacca
  • [gmx-users] water molecules   Mark Abraham
• [gmx-users] PTR parameters   Sheng Yong yang
• [gmx-users] Trajectory: reducing   Alessandro Mattozzi
  • [gmx-users] Trajectory: reducing   David van der Spoel
  • [gmx-users] Trajectory: reducing   Mark Abraham
• [gmx-users] re: need help with free energy of solvation calculation   Moore, Jonathan (J)
  • [gmx-users] re: need help with free energy of solvation calculation   David Mobley
• [gmx-users] RE:water molecules   Rahul Godawat
• [gmx-users] Makeing CPMD_int.run   Mahnam
  • [gmx-users] Makeing CPMD_inp.run   Pradip Kumar Biswas
• [gmx-users] Reg do_dssp in cygwin   raja
• [gmx-users] Fwd: success,Thank you   Pradip Kumar Biswas
• [gmx-users] Fwd: QMMM calculation   Pradip Kumar Biswas
  • [gmx-users] Fwd: QMMM calculation   Christian Burisch
    • [gmx-users] Fwd: QMMM calculation   Pradip Kumar Biswas
      • [gmx-users] Fwd: QMMM calculation   Christian Burisch
      • [gmx-users] Fwd: QMMM calculation   Pradip Kumar Biswas
• [gmx-users] MPICH or LAM/MPI   hseara at netscape.net
  • [gmx-users] MPICH or LAM/MPI   Carsten Kutzner
    • [gmx-users] MPICH or LAM/MPI   hseara at netscape.net
      • [gmx-users] MPICH or LAM/MPI   Carsten Kutzner
      • [gmx-users] MPICH or LAM/MPI   Arneh Babakhani
      • [gmx-users] MPICH or LAM/MPI   Carsten Kutzner
      • [gmx-users] MPICH or LAM/MPI   Arneh Babakhani
    • [gmx-users] MPICH or LAM/MPI   Arneh Babakhani
      • [gmx-users] MPICH or LAM/MPI   Carsten Kutzner
      • [gmx-users] MPICH or LAM/MPI   Arneh Babakhani
      • [gmx-users] MPICH or LAM/MPI   Carsten Kutzner
• [gmx-users] Fwd: Comments from Axel on QMMM calculation with Gromos FF   Pradip Kumar Biswas
• [gmx-users] force field   hjbai
  • [gmx-users] force field   Mark Abraham
• [gmx-users] benzamide in top directory   hjbai
• [gmx-users] GROMACS on parallelknoppìx   Michael Creel
• [gmx-users] re: need help with free energy of solvation calcu lation   Moore, Jonathan (J)
• [gmx-users] my protein gets cut while preparing for em   Guillem Plasencia
  • [gmx-users] my protein gets cut while preparing for em   Florian Haberl
  • [gmx-users] my protein gets cut while preparing for em   Olli Lehtonen
    • [gmx-users] my protein gets cut while preparing for em   Tsjerk Wassenaar
• [gmx-users] pull code questions   David Mobley
• [gmx-users] oplsaa force field and dummy atoms   MURAT CETINKAYA
  • [gmx-users] oplsaa force field and dummy atoms   David Mobley
• [gmx-users] Fatal error: Shake block crossing node boundaries   Jianwei Wang
  • [gmx-users] Fatal error: Shake block crossing node boundaries   David van der Spoel
• [gmx-users] unexpected result from mdrun   Dongsheng Zhang
  • [gmx-users] unexpected result from mdrun   Dongsheng Zhang
    • [gmx-users] unexpected result from mdrun   David Mobley
      • [gmx-users] unexpected result from mdrun   Dongsheng Zhang
      • [gmx-users] unexpected result from mdrun   Mark Abraham
• [gmx-users] Electrostatic Force Monitoring   Justin M. Shorb
  • [gmx-users] Electrostatic Force Monitoring   Mark Abraham
    • [gmx-users] second derivative of force   Nguyen Hoang Phuong
      • [gmx-users] second derivative of force   Mark Abraham
      • [gmx-users] second derivative of force   Nguyen Hoang Phuong
      • [gmx-users] second derivative of force   Mark Abraham
• [gmx-users] H2O close to N-terms   rodrid3 at rpi.edu
  • [gmx-users] H2O close to N-terms   Mark Abraham
    • [gmx-users] H2O close to N-terms   Erik Marklund
  • [gmx-users] H2O close to N-terms   David van der Spoel
• [gmx-users] afm rate , quick question about units.   Arneh Babakhani
• [gmx-users] off-diagonal of the tensor for pressure coupling should be zero??   이 선주
  • [gmx-users] off-diagonal of the tensor for pressure coupling should be zero??   Arneh Babakhani
  • [gmx-users] off-diagonal of the tensor for pressure coupling should be zero??   Erik Lindahl
• [gmx-users] oplsaa force field and dummy atoms   MURAT CETINKAYA
  • [gmx-users] oplsaa force field and dummy atoms   David Mobley
• [gmx-users] Something wrong with the force field parameter   SUN, Jian
  • [gmx-users] Re: Something wrong with the force field parameter   David van der Spoel
• [gmx-users] phosphated residue   tonglei
  • [gmx-users] phosphated residue   David van der Spoel
    • [gmx-users] rvdw   Isabella Daidone
      • [gmx-users] rvdw   Tsjerk Wassenaar
      • [gmx-users] rvdw   Isabella Daidone
      • [gmx-users] rvdw   Tsjerk Wassenaar
• [gmx-users] The energy output code   Shao Qing
  • [gmx-users] The energy output code   Mark Abraham
• [gmx-users] FEP softcore problematics   Maik Goette
  • [gmx-users] FEP softcore problematics   David Mobley
    • [gmx-users] FEP softcore problematics   Maik Goette
      • [gmx-users] FEP softcore problematics   Berk Hess
      • [gmx-users] FEP softcore problematics   Maik Goette
      • [gmx-users] FEP softcore problematics   David Mobley
• [gmx-users] The energy output code   Shao Qing
  • [gmx-users] The energy output code   Uwe Richter
    • [gmx-users] The energy output code   Mark Abraham
  • [gmx-users] The energy output code   Mark Abraham
  • [gmx-users] The energy output code   Yang Ye
• [gmx-users] How to ignore atoms during simulations??   Cesar Araujo
  • [gmx-users] How to ignore atoms during simulations??   Mark Abraham
• [gmx-users] Re: my protein gets cut while preparing for em   Guillem Plasencia
  • [gmx-users] rvdw   Isabella Daidone
• [gmx-users] Re: How to ignore atoms during simulations??   Cesar Araujo
  • [gmx-users] Re: How to ignore atoms during simulations??   Pradip Kumar Biswas
    • [gmx-users] Re: How to ignore atoms during simulations??   leafyoung81-group at yahoo.com
      • [gmx-users] Re: How to ignore atoms during simulations??   Pradip Kumar Biswas
• [gmx-users] Energy of part of system   Beniamino Sciacca
  • [gmx-users] Energy of part of system   leafyoung81-group at yahoo.com
    • [gmx-users] Energy of part of system   Beniamino Sciacca
      • [gmx-users] Energy of part of system   Mark Abraham
      • [gmx-users] Energy of part of system   Beniamino Sciacca
      • [gmx-users] Energy of part of system   Mark Abraham
      • [gmx-users] Energy of part of system   Beniamino Sciacca
      • [gmx-users] Energy of part of system   Mark Abraham
• [gmx-users] Re: How to ignore atoms during simulations??   Cesar Araujo
• [gmx-users] coordinates in xtc vs. trr when using xtc_grps   YOLANDA SMALL
  • [gmx-users] coordinates in xtc vs. trr when using xtc_grps   Mark Abraham
• [gmx-users] Re: FEP softcore problematics   mernst at tricity.wsu.edu
  • [gmx-users] Re: FEP softcore problematics   David Mobley
    • [gmx-users] Re: FEP softcore problematics   Berk Hess
• [gmx-users] grompp error   Mahnam
  • [gmx-users] grompp error   Yang Ye
• [gmx-users] Cannot compile Gromacs on Solaris   MS
  • [gmx-users] Cannot compile Gromacs on Solaris   Mark Abraham
    • [gmx-users] Cannot compile Gromacs on Solaris   MS
      • [gmx-users] Cannot compile Gromacs on Solaris   Mark Abraham
      • [gmx-users] Cannot compile Gromacs on Solaris   MS
      • [gmx-users] Cannot compile Gromacs on Solaris   MS
      • [gmx-users] Cannot compile Gromacs on Solaris   MS
• [gmx-users] how to add an element in Gromacs   Yongqiang Wang
  • [gmx-users] how to add an element in Gromacs   Mark Abraham
• [gmx-users] Problem simulating DNA   Manish Datt
  • [gmx-users] Problem simulating DNA   Maik Goette
• [gmx-users] Re: FEP softcore problematics   mernst at tricity.wsu.edu
  • [gmx-users] Re: FEP softcore problematics   Maik Goette
  • [gmx-users] Re: FEP softcore problematics   David Mobley
• [gmx-users] a strange behavior in editconf -rotate   Dongsheng Zhang
  • [gmx-users] a strange behavior in editconf -rotate   Tsjerk Wassenaar
    • [gmx-users] a strange behavior in editconf -rotate   Dongsheng Zhang
• [gmx-users] oplsaa and lincs error   MURAT CETINKAYA
  • [gmx-users] oplsaa and lincs error   Jochen Hub
• [gmx-users] Bug in g_mindist version 3.3.1?   Volker Knecht
  • [gmx-users] Bug in g_mindist version 3.3.1?   David van der Spoel
• [gmx-users] Whats the difference between pbc = xyz and pbc = full?   Gale, Ella
  • [gmx-users] Whats the difference between pbc = xyz and pbc = full?   David van der Spoel
• [gmx-users] What are the units for the results of the g_chi   rodrid3 at rpi.edu
• [gmx-users] errors on carbon nanotube   jackyxh at 163.com
  • [gmx-users] errors on carbon nanotube   David van der Spoel
• [gmx-users] electostatic   mahbubeh zarrabi
  • [gmx-users] electostatic   David van der Spoel
• [gmx-users] energy minimization   Dongsheng Zhang
  • [gmx-users] energy minimization   David van der Spoel
    • [gmx-users] energy minimization   Dongsheng Zhang
• [gmx-users] make_ndx   Dongsheng Zhang
  • [gmx-users] make_ndx   Manuel Prinz
    • [gmx-users] make_ndx   Dongsheng Zhang
• [gmx-users] Widom insertion   David L. Bostick
  • [gmx-users] Widom insertion   Berk Hess
• [gmx-users] free energy and fatal error   MURAT CETINKAYA
  • [gmx-users] free energy and fatal error   Maik Goette
  • [gmx-users] free energy and fatal error   David Mobley
• [gmx-users] Bug in g_mindist 3.3.1   Volker Knecht
• [gmx-users] Error while doing energy minimization   Shankar Prasad Kanaujia
• [gmx-users] OPLS chloroform topology   Lars Schaefer
• [gmx-users] OPLS chloroform topology   Lars Schaefer
• [gmx-users] mdrun segmentation fault   Jim Fonseca
  • [gmx-users] mdrun segmentation fault   Erik Lindahl
• [gmx-users] free energy and fatal error   MURAT CETINKAYA
  • [gmx-users] free energy and fatal error   David Mobley
    • [gmx-users] free energy and fatal error   Maik Goette
• [gmx-users] Grompp errors?   Jones de Andrade
• [gmx-users] xyz to gdb   Jason Byrd
  • [gmx-users] xyz to gdb   Dongsheng Zhang
• [gmx-users] Temperature averages and log files   Joanne Hanna
  • [gmx-users] Temperature averages and log files   Berk Hess
    • [gmx-users] Scripting Analysis tools in tcsh   Arneh Babakhani
      • [gmx-users] Scripting Analysis tools in tcsh   paloureiro at biof.ufrj.br
      • [gmx-users] mdrun output structure   Samuel C Flores
      • [gmx-users] mdrun output structure   David Mobley
• [gmx-users] problem with LAM   Sridhar Acharya
  • [gmx-users] problem with LAM   Arneh Babakhani
  • [gmx-users] problem with LAM   Mark Abraham
  • [gmx-users] problem with LAM   Carsten Kutzner
• [gmx-users] atomic mass   Magnus Andersson
• [gmx-users] How to calculate the free energy difference of solvation for a Tyr-Phe mutation!   Mikko Hellgren
  • [gmx-users] How to calculate the free energy difference of solvation for a Tyr-Phe mutation!   Yang Ye
• [gmx-users] GAFF to GROMACS   Yang Ye
• [gmx-users] do_dssp, -map option   Fabrizio Mancinelli
• [gmx-users] Cannot compile Gromacs with PGI on Intel computers   MS
• [gmx-users] no more output data from a simulation   Dongsheng Zhang
  • [gmx-users] no more output data from a simulation   Erik Lindahl
    • [gmx-users] no more output data from a simulation   Dongsheng Zhang
• [gmx-users] NVT ,NVE tempearture pressure problem   JAVIER SACRISTAN
• [gmx-users] meaning of a grompp 3.3.1 error ?   Ivana Mihalek
  • [gmx-users] meaning of a grompp 3.3.1 error ?   David Mobley
    • [gmx-users] header of xvg file from GMX Analysis Tools   Arneh Babakhani
      • [gmx-users] header of xvg file from GMX Analysis Tools   David Mobley
      • [gmx-users] header of xvg file from GMX Analysis Tools   Arneh Babakhani
      • [gmx-users] header of xvg file from GMX Analysis Tools   Mark Abraham
      • [gmx-users] header of xvg file from GMX Analysis Tools   Arneh Babakhani
      • [gmx-users] header of xvg file from GMX Analysis Tools   Erik Marklund
• [gmx-users] Grompp Fudge Problems?   Jones de Andrade
• [gmx-users] meaning of a grompp 3.3.1 error ?   Ivana Mihalek
• [gmx-users] free energy questions   MURAT CETINKAYA
  • [gmx-users] free energy questions   Mark Abraham
  • [gmx-users] free energy questions   David Mobley
    • [gmx-users] free energy questions   Erik Lindahl
• [gmx-users] analysing ndx file of g_hbond   raja
  • [gmx-users] analysing ndx file of g_hbond   Erik Marklund
    • [gmx-users] analysing ndx file of g_hbond   raja
    • [gmx-users] analysing ndx file of g_hbond   Yang Ye
      • [gmx-users] analysing ndx file of g_hbond   Erik Marklund
      • [gmx-users] analysing ndx file of g_hbond   Yang Ye
• [gmx-users] Units for Eigenfrequencies - g_nmeig   Jon Ellis
• [gmx-users] tpbconv   Dongsheng Zhang
  • [gmx-users] tpbconv   X.Periole
• [gmx-users] Supradiffusivity   이 선주
  • [gmx-users] Supradiffusivity   Pedro Alexandre de Araújo Gomes Lapido Loureiro
• [gmx-users] How do Charge Groups work?   Gale, Ella
  • [gmx-users] How do Charge Groups work?   X.Periole
    • [gmx-users] How do Charge Groups work?   Gale, Ella
    • [gmx-users] How do Charge Groups work?   Berk Hess
• [gmx-users] Force Calculation   Justin M. Shorb
  • [gmx-users] Force Calculation   Mark Abraham
    • [gmx-users] Force Calculation   Erik Lindahl
• [gmx-users] Can a Serial MD simulation be continued in Parallel?   Sridhar Acharya
  • [gmx-users] Can a Serial MD simulation be continued in Parallel?   Mark Abraham
• [gmx-users] Can a Serial MD simulation be continued in, Parallel?   Sridhar Acharya
  • [gmx-users] Can a Serial MD simulation be continued in, Parallel?   Mark Abraham
• [gmx-users] Using tpbconv   Joanne Hanna
• [gmx-users] Analysing using InsighII Decipher   raja
  • [gmx-users] Analysing using InsighII Decipher   Mark Abraham
• [gmx-users] Re: Re; Force Calculation   Justin M. Shorb
  • [gmx-users] Re: Re; Force Calculation   Erik Lindahl
• [gmx-users] g_hbond -g   Diego Enry
• [gmx-users] prodrg and charge groups   Diane Fournier
  • [gmx-users] prodrg and charge groups   David Mobley
• [gmx-users] simple force field   Carsten Baldauf
• [gmx-users] Van der Waals: switch attractive term off   Alessandro Mattozzi
  • [gmx-users] Van der Waals: switch attractive term off   Mark Abraham
  • [gmx-users] Van der Waals: switch attractive term off   Berk Hess
    • [gmx-users] Van der Waals: switch attractive term off   Alessandro Mattozzi
  • [gmx-users] Van der Waals: switch attractive term off   Pradip Kumar Biswas
• [gmx-users] query about protein-ligand complex   sangeeta
  • [gmx-users] query about protein-ligand complex   Erik Marklund
• [gmx-users] Constant Volume Simulation.   karamyog singh

Last message date: Fri Jun 30 23:19:12 CEST 2006
Archived on: Thu Nov 14 12:03:00 CET 2013

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