Reference for openmmtools

[xiki-tempula]

If I were to mention openmmtools in a paper how shall I cite this? Thank you.

[mikemhenry]

That is a really good question, I noticed we don't have a citation file for this repository. When you use openmmtools, it should print to standard out which citations to use, since it depends on what modules you use. We do have a Zenodo DOI https://zenodo.org/records/8102771 you can use to cite the version of the code that you used.

@jchodera have anything you want to add? We should add a general citation file, should it point to the zenodo doi or is there the openmmtools paper