Direct Force Field
(DFF) 7 is an expert system for making and using
atomistic force fields. At its core is the
TEAM-FF database which contains multiple force
fields. The database is surrounded by three major functions:
1) Utilization of
force field parameters with internal and external simulation engines;
2) Parameterization for making new parameters and augmenting the
TEAM-FF database;
3) Integration of external force fields
Two versions, Express and Professional are available in DFF 7. The Express version has components 1) and 3) above, the Professional version has additionally component 2).
A brief history of DFF development:
2001-2003 Release 1, 2, 3 ¨C mainly on fitting functionality
2004-2006 Release 4, 5, 6 ¨C enhanced fitting functionality and a fragment-based database
2007 ¨C 2010 Researches on methods of force field extensibility and integration
2010 ¨C Release 7.0
DFF is delivered with a window-based graphical user interface, enabling fast and easy access of the functionality provided. It runs on Windows and Linux platforms.