Table 2.

Mean errors corresponding to the S‐curves depicted in Figure 7.

Number of minima	1	20	40	60	80	99
Mean prediction error (kJmol−1)	0.27	0.85	0.9	1.23	1.30	1.37

Note the “bunching” of prediction error when 60 energetic minima or higher are used as seeds for the conformational sampling.