The simulations were performed according to the following simulation protocol: after an energy minimisation using the method of steepest descent, two successive equilibration steps were performed (both in the NVT ensemble): first, an integration of 10 ns with a timestep of 5 fs was performed, where a force capping that gradually increased over time was applied. The next step consisted of 50 ns (again with a timestep of 5 fs) without any force capping. Then, production runs of total duration t tot = 50 ns were performed in the NVT ensemble with a timestep of 10 fs. For r < 1, the positions were written out with a period of ∆t = 0.2 ps, while for r ≥ 1, ∆t was chosen equal to 2 ps (i.e., the same ∆t values as for AA calculations). We made sure that this choice provided us with a high accuracy on the calculation of τ T by performing similar convergence tests as the ones presented in Fig. . For each value of r, 3 independent production runs were performed in order to improve the statistics.