Figure 9.

Convergence of selected coordinate averages. Crosses indicate values for the first and the second half of each trajectory (WW state only). Each of the MD trajectories was performed using different simulation conditions (Table 1). The excellent convergence enables one to identify small but statistically significant differences between individual simulations. The full list of average coordinates with error estimates is in Tables S1 and S2. The TT state values converge equally well.