Same as in Fig. 5 for the four simulations at 330 K. A total of
0.77 × 105 conformations were used. The minimum and
maximum values of Nn,m are 19 and 4531,
respectively. The average and maximal error of <E> are 1.9 and 7.5
kcal/mol (bin with n = 11 and
m = 2), respectively. The average and maximal
errors of ΔG are 0.6 and 1.8 kcal/mol
(n = 0, m = 5), respectively.