Direct Force Field (DFF) is an all-in-one software suite for professional force field development and applications.
More than just fitting software, DFF guides you through the process of automated force field parameterization
step by step. DFF's core functionalities include guided force field selection, atom typing rules, training set
preparation, quantum mechanic data calculation, experimental data collection, fit parameterization, result parameter
integration, and parameter export for use in simulation engines. DFF uniquely uses database technology to achieve
unprecedented force field accuracy and coverage. Each database contains multiple tables, and each table is an
independent force field developed toward a specific purpose. Extended coverage is achieved by cross-selecting
parameters from multiple force fields while built-in database management maintains accuracy.
TEAMFF, a comprehensive force field database, was developed using DFF and is included as part of the DFF software
suite. TEAMFF contains force fields in many common force field types including AMBER, CHARMM, CFF, OPLS and DREIDING.
In addition, it utilizes native TEAM-type force fields. TEAM and AMBER force fields are currently the most rigorously
parameterized, with coverage including common organic molecules, polymers, drug-like molecules, zeolites, ionic
liquids and metal oxides. TEAMFF is a living database that is being continually expanded and improved.
DFF output force fields support the popular simulation engines GROMACS, LAMMPS, CHARMM and AMBER. DFF is shipped
with an intuitive graphical user interface, but can be run from command line prompts as well. Both Windows and Linux
operating systems are supported. DFF is available in two editions, Standard and Professional. DFF 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 Inc., founded and headquartered in San Diego, California
since 2000.