Previously, when protein-ligand systems where ligands were made of two or more molecules
(for example, an inhibitor + water molecule), interligand IEFF interaction
energy was not correctly calculated in two cases: (1) for single point
calculations and (2) for solid-body ligand pose optimization. In both cases,
the total protein-ligand interaction energy was not affected. In the second
case, optimization itself was not affected. This issue has been fixed.