For estimating the kinetic rates, forty-five infrequent WT-MetaD have been run, using the distance between the center of geometry of CBPQT 4+ and the center of geometry of the closest naphthalene (CV1) and the torsional angle between the two naphthalenes (CV2) as collective variables. The bias has been added every 20 ps, using Gaussians with an initial height of 0.239 kJ/mol, a width of 0.1 nm for CV1 and 0.2 rad for CV2, and a bias factor of 20. The simulations ended when CBPQT 4+ jumped from station 1 to station 2. Mapping auxiliary variables in CV space with conditional probability