We performed 10 SMARTY runs, of 10,000 steps each, for each of the three molecule sets, at effective temperatures of 0, 10 -6 , 10 -5 , 0.0001, 0.001, 0.01, 0.1, and 1, using both the original SMARTY sampler (SMARTY ) and the elemental sampler (SMARTY ). The results of these calculations are analyzed in the following two subsections.