Figure 5.

The approximate loop entropy, $T{\overline{S}}_{\mathrm{loop}}^{\mathrm{A}}$ (in kcal∕mol + const) [Eq. 14], is presented as a function of the number of future reconstruction steps, n_f [Eq. 11] for the open and closed microstates. These results (taken from Table 2) are based on a bin size, Δα_k∕l, l = 60 [Eq. 10], and are shown for two equilibrations of 10 and 16 ps. It is demonstrated that for 10 ps, the results for both the open and closed microstates increase while those for 16 ps decrease. Thus, for the open (closed) microstate the 10 and 16 ps results approach each other deviating by ∼2.5 kcal∕mol for n_f = 10⁴ (or 9000).