Hybrid module of AMS

At the following page at the SCM website you can find more information on how to set up QM/MM and QM/QM calculations.

Inter- and Intramoleculer Interactions

There are different ways one can study intermolecular interactions, either through macroscopic approaches (dielectric continuum solvent models) to microscopic approaches. Here are some examples to explore how this can be done with the AMS program suite, including ADF, DFTB, MM and QUILD.