Parameter files

The UFF implementation in ADF uses three parameter files:

• general_db: Parameters per MM atom type
• elements_db: Defines the elements and the possible valences and bond orders
• mmatomtypes_db: Defines the MM Atom Types known to UFF and their matching settings

These parameter files are kept in the directory $ADFHOME/atomicdata/UFF (or $ADFRESOURCES/UFF if the installation is modified for specific systems).

• UFF4MOF parameters
• UFF4MOFII parameters
• General parameters file
• Elements file
• MM Atom Types file
• Parameter file keywords (summary)