is that the reference window of 3.0 ns with a step size of 1.0 ps, giving a total of 2890 snapshots, is converged for both quantities. For each different number of snapshots (25, 50, 125, 250, and 500), a set of smaller sub-windows, each representing a subset of the data of the reference window, was considered. The sub-window length (step size times the number of snapshots) was shifted by 1.0 ps relative to each other until the end of the reference window was reached. In each sub-window, only snapshots spaced by the step size, starting from the first snapshot, were considered. For each set of sub-windows representing a specific step size and number of snapshots, the results were compared to the results of the reference window, leading to an average window error as described in the computational details in Section 3.