Van 't Hoff Institute for Molecular Sciences University of Amsterdam
Software package for simulating adsorption and diffusion of molecules in flexible nanoporous materials
auto_martini: Automated parametrization of the Martini force field for small molecules
auto_martini
For a detailed account of the software, see:
Bereau and Kremer, J Chem Theory Comput, DOI:10.1021/acs.jctc.5b00056 (2015) link