Gromacs

Windows

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    1. 1. External Material

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    Installing GROMACS on an existing installation of Cygwin is straightforward, and a procedure is described here. Attempting to install without Cygwin will cause lots of pain, and you will need plenty of expertise and the ability to solve your own problems.    With the release of Gromacs 4.5.1, building on Windows without Cygwin has become considerably easier (described here), although still not as simple as using Cygwin.    There are also some old binary packages here for Windows.

    Try to avoid needing to remember that you're on a Windows machine. Life will be much better if you do all your GROMACS work using the Cygwin shells (e.g. for setting environment variables) and with Cygwin editors (emacs, vi), unless you enjoy "line-ending pain" and know how to use dos2unix/unix2dos. These skills are all necessary whenever you are using GROMACS in real-world high-performance computing non-Windows environments and you should be planning your life so that your primary computing platform is not running Windows. Thus, learning workflows that are transferable is a good thing.

    Page last modified 22:14, 23 Sep 2010 by kyleb