As a result, this site should not simply share coordinates with the C atom of CH 3 , so in order to find an optimal position of the methyl interaction site, we introduce it as a parameter in our SCME model. This is similar to the anisotropic united-atom (AUA) approach. Figure depicts the e↵ect of changing the position of the methyl interaction site along the bond axis for a trimer molecule on the total, and individual energies (electrostatic, repulsion, and dispersion). We found that this shift parameter, s, gives a more balanced description of the electrostatic and non-electrostatic CH• • • N interactions for cyclic clusters.