Add simple test systems for binding free energies

choderalab / openmmtools

A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.

http://openmmtools.readthedocs.io

MIT License

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Open jchodera opened 9 years ago

jchodera commented 9 years ago

It would be nice to add a few test systems here:

jchodera commented 9 years ago

I'm working on adding this now. WIP PR in a moment.