Figure 6.

Stationary density estimate focusing on rightmost density shown in Fig 5 (corresponding to $\Delta D_{rmsd}^0=7.03$). The result obtained using the Ornstein-Uhlenbeck surrogate (solid red line) was poor. A batch of over-damped models were estimated (from the same times series used to fit the Ornstein-Uhlenbeck models in Fig 5). The solid lines denotes the invariant density obtained by appealing to Equation 7 and the dotted lines represent the invariant density prediction obtained by using 〈θ〉. The collection of thin blue lines display some representative invariant density predictions (i.e. “$p_i^{EQ}$” in Equation 7). The histogram of Φ coming from an ensemble of 75 genuine MD time series of length 525 ps is represented as the jagged line.