Quantitatively, the q = ±0.35 PMF minimum occurs close to where the AA PMF minimum occurs, 0.2102 nm and 0.2744 nm. Although the q = ±0.45 has the minimum (0.2404 nm) occurring closer to where the minimum of the AA PMF occurs, it was not chosen as the partial charge for the updated CG model because the PMF minimum for q = ±0.45 was 0.0 kCal. q = ±0.35 had a minimum PMF value of -2.2249 kCal as shown in Table .