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Thread: gromacs, can't run it

  1. #1
    Join Date
    Jan 2006
    Beans
    5

    gromacs, can't run it

    I played safe and installed gromacs 3.3.2 using the synaptic package manager, and on searching it shows up green. However, I may be stupid, but after much searching I failed to run it. Please help an idiot?

  2. #2
    Join Date
    May 2005
    Location
    Reno,NV
    Beans
    150

    Re: gromacs, can't run it

    You might try to see if this tutorial helps:

    http://md.chem.rug.nl/education/mdcourse/index.html
    "That's all very well in practice, but will it ever work in theory?" -- G. Hill
    "A tidy laboratory means a lazy chemist." -- Jöns Jacob Berzelius

  3. #3
    Join Date
    Feb 2008
    Beans
    1

    Re: gromacs, can't run it

    hi there, im not a english speaker so sorry by my english.
    Rabbiedoo, the solution for the problem is in this link

    http://ubuntuforums.org/newreply.php...te=1&p=6523995

    there is a complete list of basic commands for GROMACS, in a terminal you have to put it without sudo.
    Is very hard learn and use GROMACS, so good luck!, see you

  4. #4
    Join Date
    Feb 2008
    Location
    Ireland
    Beans
    8
    Distro
    Ubuntu 7.10 Gutsy Gibbon

    Re: gromacs, can't run it

    I generally have the same problem. In the synaptic package manager it says gromacs is installed (green) but I can't locate the configure command in order to configure gromacs. I am following the installation instructions given on the gromacs website, so this is before I attempt to run gromacs.

    I am using a Dell Precision T3400, Intel Core Duo 2, with ubuntu 7.10 64 bit.

    Any suggestions?

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