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choderalab
/
feflow
Recipes and protocols for molecular free energy calculations using the openmmtools/perses and Open Free Energy toolkits
MIT License
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Update system creation to allow for setting barostat frequency
#23
Closed
IAlibay
closed
1 month ago
IAlibay
commented
6 months ago
Related to
https://github.com/OpenFreeEnergy/openfe/pull/669
Related to https://github.com/OpenFreeEnergy/openfe/pull/669