Each SOM model system was first relaxed utilizing an energy minimization. An NPT equilibration was then carried out, which was followed by the production run. The equilibration time was set to 10 ns. The production run lasted 20 µs, where the last 3 µs were used for the analysis of densities and potential energies. The leap-frog integrator was applied, using a time step of 20 fs for all MD simulations. The temperature was held constant at T = 298.15 K, using the velocityrescale thermostat 67 with a coupling constant of τ T = 1 ps. For the NPT equilibration, the Berendsen barostat 68 with a coupling constant of τ p = 8 ps was applied, whereas the Parrinello-Rahman barostat with a coupling constant of 12 ps was utilized for the production run. The reference pressure was set to 1 bar. For the Lennard-Jones interactions, the Verlet cutoff scheme with a straight cutoff of 1.1 nm was used. Reaction-field electrostatics were utilized to evaluate the Coulomb interactions. A cut-off of 1.1 nm with a dielectric constant of ϵ r = 15 was applied. Constraints were incorporated by employing the LINCS algorithm. All simulations were conducted using periodic boundary conditions.