11.3 Stand-Alone QM/MM Calculations

Q-Chem can perform hybrid quantum mechanics/molecular mechanics (QM/MM) calculations either as a stand-alone program, which is described in this section, or in conjunction with the Charmm package. ¹⁴⁹² Woodcock III H. L. et al.
J. Comput. Chem.
(2007), 28, pp. 1485. Link See Section 11.4 for a description of a latter approach.