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Switched to Headers fo the Gromacs-2016 branch.

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Niels Müller
2016-09-27 12:22:58 +02:00
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README.md
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@ -17,6 +17,14 @@ Pygmx needs mainly two python packages to be installed, which are available in a
Pygmx requires the shared library and header files of Gromacs 5.1 or higher to be installed.
Note that pygmx also supports the Gromacs-2016 version.
Checkout the followng git branch if this version of Gromacs is desired:
git checkout gromacs-2016
Note that Gromacs is backwards compatible, i. e. files produced by the 5.1 version will also work in the 2016 version.
But Gromacs-2016 is required to load files of the 2016 version.
#### Using a module
If gromacs is installed as a module in your system, run