Multistate Method to Efficiently Account for Tautomerism and Protonation in Alchemical Free-Energy Calculations

This release corresponds to a minimal set of initial conformations and input files to reproduce the results in:
J. Chem. Theory Comput. 2024, 20, 10, 4350-4362
DOI: https://pubs.acs.org/doi/10.1021/acs.jctc.4c00370

as well as the analysis scripts used to create the figures in this publication.