It should be noted that the dashed line in Figure represents the maximum frequency that can be resolved with a time step of 20 fs. With the revised force constants, all fragment frequencies fall below this limit, indicating that the equations of motion can be effectively integrated with the larger time step. The final force constants can be found in the Python script used to create coarse-grained SOM structures (available in the Zenodo repository ). From a general perspective, the choice of the time step influences the accuracy of the integrator (in this case, the second-order leap-frog algorithm) and directly impacts the conservation of key quantities such as energy, temperature, and pressure . A detailed investigation into the potential effects of further increasing the time step on these quantities could be considered a topic for future research.