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Hydration free energies benchmark #8

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Hydration free energies benchmark #8

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This pull request adds a new data set and methods to evaluate the OBC solvent parameters that are obtained from OFF.

@martimunicoy martimunicoy self-assigned this Oct 15, 2020
@martimunicoy martimunicoy added the enhancement New feature or request label Oct 15, 2020
@martimunicoy martimunicoy added this to In progress in Initial validation of offpele via automation Oct 15, 2020
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