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@salotz
salotz committed Jul 22, 2016
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Expand Up @@ -46,6 +46,8 @@ My experience was that while this is convenient for simple systems more complica
** Usage
The immediate "killer feature" will be for easily profiling intermolecular interactions, but there is definitely potential for use in setting up complex multi-molecular systems, structural analyses, and complex distance metric calculations in enhanced sampling simulations.

I have so far used it to profile hydrogen bonds between a protein and ligand for 4,000 conformations.

* Version numbers

See [[http://semver.org/]] for version number meanings.
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