Gromacs

Support

    Version as of 16:55, 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 wiki.
    • search the GROMACS website and emailing lists (ensure that select correct locations to search).
    • 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.

    Emailing Lists

    Once those avenues have been exhausted, then there are a number of emailing lists available for people to subscribe to and ask questions.

    • gmx-annouce - extremely low traffic, recieve only list that and will only contain information from the GROMACS crew.
    • gmx-users - normal discussion forum for installation, usage and all other questions not related to development.
    • gmx-developers - place for developers. Post all your questions, suggestions and code improvements here.

    Emailing List Etiquette

    When posting to the emailing list, it is important to remember that those on the emailing list are just fellow users of the software. They are not paid to answer your question. With that in mind, some things that will assist in improving the chance that you get some helpful response to your problem are:

    • use an informative title: Because people are not paid to answer questions, and have limited time, many experienced users only browse titles looking for topics they are intrigued by. If your title is, "This may be it, but what to do?" or similar, odds are many people won't bother reading it.
    • attempt to find the solution to the problem before posting to the emailing list, and demonstrate this by showing the other subscribers what you tried and why it didn't work. If you demonstrate that you're interested in helping yourself, you're much more likely to stimulate someone else to want to help you.
    • provide as much detailed information as possible on the problem. This can include the actual command line that was executed, an actual copy of the error produced, parameter files utilised by the script, log files generated etc. It is not sufficient to simply say something like "mdrun crashed, how can I solve that problem?" It is also better to provide actual copy-and-paste information, instead of filtering things through your brain and memory. If your understanding was good, then you might not be having this problem; accordingly, people trying to help with your problem are not all that interested in your deductions or assumptions... they want the facts.
    • do not attach Word documents, RAR,HQX,SIT,ACE or other weird archives (use tar and/or gzip for preference - it's your audience's convenience which matters, not yours), trajectory files, structure files, run input files, log files or anything else bulky. An .mdp file can be appropriate. If you need to supply a picture to describe what is going on, then please upload it to a web service like photobucket and provide a URL to the list.
    • do not suggest the problem is a bug unless you're really sure of yourself, i.e. you can almost post a code patch. What are the odds of a new-ish user being the first ever to find and report a particular bug, against the odds of that new-ish user doing something wrong, not reading the documentation, or not understanding a concept?
    • when you've solved the problem, please consider posting a reply to the list detailing what was wrong, your solution and how it worked. Not only might this help people in the future, but it might teach you more about the problem and the solution. However, it is overkill to reply to every email in response to yours to the list, merely expressing your thanks.

    A very good article for anyone who may be asking or answering questions on an emailing lists to read is How To Ask Questions The Smart Way.

    Page last modified 20:36, 14 Sep 2009 by rossen