Our systems are simulated on an all-atom level using the large-scale atomic/molecular massively parallel simulator (LAMMPS) package in combination with the OPLS force field. Details on the Hamiltonian of the force field and its adjustments regarding our specific system can be found in ref. 47 and the Supporting Information (SI). The simulations are performed in an isothermal-isobaric (NPT ) ensemble with periodic boundary conditions. The temperature and pressure are held constant with a Nosé-Hoover thermostat and barostat 96 with a relaxation time of 100 fs and 1000 fs, respectively. The pressure is set to 1 bar.