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OpenFreeEnergy
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feflow
Recipes and protocols for molecular free energy calculations using the openmmtools/perses and Open Free Energy toolkits
MIT License
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Rewwrite combine_topology to work for protein mutations
#77
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IAlibay
opened
5 days ago
IAlibay
commented
5 days ago
Currently this will only work for small molecules.
Currently this will only work for small molecules.