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OpenFreeEnergy / feflow

Recipes and protocols for molecular free energy calculations using the openmmtools/perses and Open Free Energy toolkits
MIT License
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port test for HTF r_cutoff bug #27

Closed richardjgowers closed 8 months ago

richardjgowers commented 8 months ago

These tests should get merged over too:

https://github.com/OpenFreeEnergy/openfe/pull/675/files#diff-498c7eca2a7e573b217e2e32379eed61a695d9ef8d8c5c107c1f6f2e356aa059

richardjgowers commented 8 months ago

not necessary, this is tested in another form in test_relative