The peak of the HS30 fragment, however, is one of the strongest ones to emerge for all the fragments, as well as the one with the highest frequency. For proper integration with the leap-frog integrator, the time step should be at least 5 times shorter than the period of the fastest oscillation in the system . Following this guideline, the dashed line therefore represents the maximum frequency that can be resolved with a time step of 20 fs, which is lower than the maximum frequency of HS30. Due to the correlations with instabilities with the HS30 fragment, it is therefore assumed that the high frequencies play an important role. The interplay with the bonded interactions between fragments should also not be neglected. Generally, to allow the use of higher time steps (at least 20 fs) and therefore boost performance the bonded interactions of the fragments should be recalibrated, to lower the highest emerging frequencies. This is most likely connected to the interplay between the bond and angle parameters within the fragment. However, here the parameters were not changed, to ensure a systematic parametrization procedure. As part of the current development of the VSOMM2 conversion tool, the force constants of the bonded interactions are being revised to reduce such high frequencies.