@article{515, keywords = {Library and Information Sciences, Computer Science Applications, General Chemical Engineering, General Chemistry}, author = {AndrĂ¡s Wacha and Justin Lemkul}, title = {charmm2gmx: An Automated Method to Port the CHARMM Additive Force Field to GROMACS}, year = {2023}, journal = {Journal of Chemical Information and Modeling}, volume = {63}, pages = {4246-4252}, publisher = {American Chemical Society (ACS)}, issn = {1549-9596, 1549-960X}, doi = {10.1021/acs.jcim.3c00860}, }