Parameter filesΒΆ

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).