This observation is also in agreement with the relatively higher structural rigidity of NTCDA and PDTCI within the four molecules. Moreover, the RDF computed from both OSCFF and GAFF2 closely aligns with each other, with the largest deviation of the RDF peak being 0.05 nm. These findings suggest that our OSCFF is roughly as accurate as GAFF2 in the MD simulation of amorphous films, establishing its potential as a GAFF2-compatible force field for the MD simulation of conjugated molecules.