Parametrization of the GMIPp for the study of stacking interactions

A parametrization of the Generalized Molecular Interaction Ž . 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. Q 1999 John Wiley & Sons, Inc. J Comput Chem 20: 937]946, 1999