Direct Force Field (DFF) is a software package for professional force field developments and applications.
DFF's core functionalities include selection of force field forms, definition of atom typing rules, selection
of training set, calculation of quantum mechanics data, regression of force field parameters, combination of
multiple force fields, and integration with simulation engines. DFF uses database technology to manage multiple
force fields to extend coverage with high accuracy.
TEAMFF, a comprehensive force field database, was developed using DFF and is included as part of the software
suite. TEAMFF contains force fields in common force field types including TEAM, AMBER, CHARMM, CFF, OPLS, and DREIDING.
These force fields can be used as base for continue development. In addition, TEAM and AMBER force fields are actively
developed and maintained, to provide off-the-shelf option for direct usage. The coverages include common organic molecules,
polymers, drug-like molecules, zeolites, ionic liquids, metals and metal oxides. The force fields can be used with
popular simulation engines GROMACS, LAMMPS, CHARMM and AMBER.
An graphical user interface is included for interactive usage, many functions can be used from command line prompts
as well. Both Windows and Linux operating systems are supported. DFF is available in two editions, Standard and
Professional. The Standard Edition is designed to facilitate application of TEAMFF force fields, while the Professional
edition supports force field development as well as application.
DFF is developed and distributed by Aeon Technology, located in San Diego, California, USA.