Overview

Compared to a standard ADF run, there are two additional input components required to run an ADF QM/MM simulation:

• The QMMM key block has to occur in the ADF input file
• A separate force field parameter file.

In this section we describe how to set up an ADF QM/MM simulation, assuming an appropriate force field file is already available. A full description of all of the options and of the FORCE FIELD file is provided in later sections.