We repeated this same implicit and explicit partial atomic charge computation with the Merz-Kollman (MK) charge method that is known to provide an accurate polarization description. With the MK charge method, we found a further increase in polarization, with an increase in magnitude of the nitrogen charge of 0.438e compared to the original DDEC6 charge method for implicit solvent. A table of both the DDEC6 and MK charges is given in the SI, Table and accompanying Figures and.