cbc-univie / transformato

Set up relative free energy calculations using a common scaffold
https://cbc-univie.github.io/transformato/
MIT License
22 stars 6 forks source link

adapting name for checking torison atoms #112

Closed JohannesKarwou closed 1 year ago

JohannesKarwou commented 1 year ago

I'm more and more convinced that this is a bug https://github.com/wiederm/transformato/issues/105, which we should fix. I think the solution is very trivial. I will see if I can add some testcases.

codecov-commenter commented 1 year ago

Codecov Report

Merging #112 (b1feca6) into master (8eb4ceb) will not change coverage. The diff coverage is n/a.

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