UFF4MOF parametersΒΆ

We now ship the extended parameter set for Metal-Organic Frameworks created by M.A. Addicoat et al. (2013). Select the UFF4MOF_general_db, UFF4MOF_elements_db and UFF4MOF_mmatomtypes_db files to use these parameters, and check that the proper atom types are detected for your system or set them manually. Please see [7] for details on the parameters.