The non-bonded Coulomb forces were computed based on the particle mesh Ewald summation scheme (PME) with a Coulomb cut-off of 1.6 [nm]. Charge neutrality is imposed by a particle injection scheme to compensate the charger transfer reactions (see Supplementary Information). The temperature coupling algorithm used is the Nose-Hoover method. Unless otherwise specified the reference temperature was set to T = 300 K. The hydrogen bonds were constrained based on the LINCS algorithm. Based on an activation energy in units of kJ/mol the reaction rate in units of time is defined as ν