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choderalab / saltswap

Package to fluctuate the number of counterions in an OpenMM simulation
MIT License
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Cut a release corresponding to version of the code used for manuscript #22

Open jchodera opened 7 years ago

jchodera commented 7 years ago

@gregoryross : Can you cut a release corresponding to the version of the code you used to generate results in the manuscript?

You'll also need to create a conda recipe with the versions of the tools (pinned) to what you used in the manuscript.