To test how far our simulations are from normality, we extended four apo and five drug-bound simulations underlying the most variable component (qon, Fig. ) of the most complex mutation, gyrA D94G, by an order of magnitude (from 0.5 ns to 5 ns). As assessed by the Shapiro-Wilks, the resulting distributions of apo-and drug-bound free energies were indeed normal after 5 ns of simulation (p = 0.92 and p = 0.16) but the distribution of results for the repeated calculations, and therefore the error, remain large (Fig. ).