samplchallenges / SAMPL6

Challenge inputs, details, and results for the SAMPL6 series of challenges
https://samplchallenges.github.io
MIT License
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Paper figures (first revision) and update analysis directory structure #61

Closed andrrizzi closed 6 years ago

andrrizzi commented 6 years ago

I've added the code to generate the two new figures included in the first revision of the host-guest binding free energy overview paper. I've also cleaned up a little the directory structure of the analysis.