Figure 7.

Convergence measure of the potential energy distributions as a function of the CPU time at 300 K from SREST (left panel) and SREST_shift (right panel) simulations. 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 three concatenated independent runs and averaged over all temperature levels.