Figure 12.

(a) Molecule 9’s potential energy “forward” ($P_{mm}$) and “backward” ($P_{3ob}$) distributions plotted as “offset” from the $\overline{\Delta U^{MM\to 3ob}}$ to simplify the x-axis. (b) Molecule 9’s nonequilibrium work “forward” ($P_{mm}$) and “backward” ($P_{3ob}$) distributions from 1 ps switching simulations plotted as “offset” from the $\overline{W^{MM\to 3ob}}$ to simplify the x-axis. (c) Molecule 9’s nonequilibrium work “forward” ($P_{mm}$) and “backward” ($P_{3ob}$) distributions from 5 ps switching simulations plotted as “offset” from the $\overline{W^{MM\to 3ob}}$ to simplify the x-axis.