wiederm / endstate_correction

Endstate corrections from MM to QML potential

https://wiederm.github.io/endstate_correction/

MIT License

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Closed JohannesKarwou closed 2 years ago

JohannesKarwou commented 2 years ago

I think the command traj.image_molecules() can only work for waterboxes not for vacuum...

codecov-commenter commented 2 years ago

Codecov Report

Merging #38 (61c7f5c) into main (7c6b7d0) will not change coverage. The diff coverage is n/a.