Gromacs

Support

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    Version as of 16:37, 22 Sep 2019

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    Before seeking support for an issue to do with using GROMACS it is recommend that you first:

    • check the GROMACS Manual, which has a lot of detail and key information within.
    • search or browse this website.
    • search the mailing lists.
    • search the internet using a search engine such as Google.
    • check the GROMACS Bugzilla as the error encountered may be a bug. Ensure error is reproducible and have set of files that developers can use to reproduce the error before submitting. Known bugs are documented here: Known Bugs.

    Do not email a developer or list subscriber personally unless your question pertains directly to their published work. If an email to a mailing list didn't get a reply, reconsider the points in the Mailing List Etiquette and try again.

    When posting a request for assistance be sure to

    • cite your GROMACS version number (and if it's not the most recent, try installing that first!),
    • copy and paste your input command lines,
    • consider including your .mdp file or the relevant portion of your .top or .log file,
    • inspect all your output files, stderr and stdout for information,
    • copy and paste any error message,
    • say why you thought the output was not what you expected,
    • use good netiquette, avoiding ALL CAPS, bad spelling and punctuation, txtspk, perso. abbrs, etc., and
    • try to sound like you've worked on solving your own problem, and are not just stealing other people's time (we'll know if you haven't done such work!).

    Nobody will be much interested in assertions that have been filtered through your head. Computers are literal, and if you really understood how to manage things correctly, you wouldn't be having a problem. Hence, people who might help want to see actual input and output, not what you think they were or should have been!        

    Page last modified 11:16, 9 Mar 2010 by mabraham