Figure 5.

Convergence measure of the potential energy distributions for SREM_shift simulations, as a function of the SREM simulation time. The curves of χ²(t), using ${\overline{P}}_{\text{initial}}^{\text{ref}}$ and ${\overline{P}}_{\text{final}}^{\text{ref}}$ as the reference states, are plotted in black and red, respectively. We stop updating the PEDFs after 2 ns in each simulation. The χ²(t) values are obtained from 16 concatenated independent runs and averaged over all temperature levels.