@software{oliver_beckstein_2023_7730867, author = {Oliver Beckstein and Pedro Lacerda and Andrew White and David Dotson and Thomas Heavey and Max Linke and Richard Gowers and Jan DomaƄski and Cody and Ian Kenney and Shujie Fan and denniej0-2 and Yura and Andy Somogyi and Marcin Magnus and Mohamad Mohebifar and Philip Loche}, title = {Becksteinlab/GromacsWrapper: release 0.8.4}, month = mar, year = 2023, publisher = {Zenodo}, version = {release-0.8.4}, doi = {10.5281/zenodo.7730867}, url = {https://doi.org/10.5281/zenodo.7730867} }