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samplchallenges / SAMPL8

Challenge details, inputs, and (eventually) results for the SAMPL8 series of challenges
https://samplchallenges.github.io
MIT License
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Macrostate Analysis Update #45

Closed aakankschit closed 2 years ago

aakankschit commented 2 years ago

Fixed code and graphs for macrostate analysis for SAMPL8, physical properties challenge.

davidlmobley commented 2 years ago

In general this looks good, just make sure you check the comments from the prior PR (e.g. re README files) and then once you have those updated we can merge.

Possibly we want to get the other PR merged first so you can pull those changes into these README files and then update on top of them.