Model Files

A large number of molecular force field models are provided by the MolMod database as ms2 input files (i.e. pm files) to be readiliy applied in the simulation software. The molecular models in the MolMod database are force fields for low-molecular fluids, consisting of Lennard-Jones 12-6 interaction sites, point charges, point dipoles, and point quadrupoles. The vast majority of molecular models in the MolMod database are rigid models. All models provided by the MolMod database were published in peer-reviewed journals. The models were tested and found to be well suited for representing thermodynamic properties of fluids. The database provides a full description of the models as well as input files for the programs and the references to the original publication.