This section is organized into three subsections that address the benchmarking of the modified parameterization approach (Section 3.1); the development of coarse-grained SOM systems with varying compositions (Section 3.2); and the evaluation of numerical performance (Section 3.3). The first subsection provides an analysis of the revised force constants for the SOM fragment molecules (Section 3.1.1) and details of the ETKDG approach (Section 3.1.2). The revision of the force constants of the SOM fragment molecules from our previous work aimed to enable a larger time step in the integration of the equations of motion. Our previous findings suggested that high vibrational frequencies could compromise the numerical stability of simulations. To illustrate this point, we calculated the vibrational power spectra for two SOM fragments, HS3 and HS30, using the revised force constants and compared them to power spectra obtained with the parameters from our previous parameter set (see Figure ). The fragment numbering follows the VSOMM2 database. HS30, known for its high frequencies, was a primary contributor to simulation crashes. The adjusted force constants caused a significant spectral shift in HS30, with the most intense peak moving from around 400 cm -1 (orange) to approximately 200 cm -1 (red), accompanied by a notable reduction in intensity. Conversely, HS3 displayed no significant changes, likely due to its inherently low force constants being unaffected by the restriction.