Parametrization of the GMIPp for the study of stacking interactions

A parametrization of the Generalized Molecular Interaction Potential with polarization (GMIPp) for the study of aromatic stacking is presented. Parametrization is limited to the van der Waals parameters defining the dispersion–repulsion interactions between the quantum and classical molecules, while electrostatic and polarization contributions are computed at the quantum mechanical level using a perturbational approach. The new parametrized GMIPp has been used to study different stacking interactions between nucleic acid bases.