Also in this case, we simulated the self-assembly of 500 initially dispersed BTA monomers in a cubic simulation box, such that the monomer concentration was identical to that of the M simulations (see Methods). In this case we conducted CG-MD simulations at three different temperatures: T = 300 K, T = 320 K and T = 340 K, as increasing/decreasing the temperature has the effect of weakening/strengthening the self-assembly propensity. Similarly to the M model, the BTA monomers reached the equilibrium forming well-ordered fibres of diverse sizes during CG-MD (Figure , right). The CG-MD trajectories of these simulations were then analyzed as done for the M model, comparing the structural and dynamical behavior of the different models at the equilibrium.