The mapping of each fragment was determined following the Martini guidelines for parametrizing new small molecules. This includes maximizing the degree of mapping, or in other words, using the least number of coarse-grained beads as possible, to describe a molecule. In addition, the symmetries of molecules should not be broken, and functional groups should be kept together as much as possible. Regarding the new Martini 3 force field, a center of geometry mapping should be used to repro-Figure : Overview of the procedure for creating the coarse-grained SOM models. Atomistic fragments are transformed into a coarse-grained representation using Swarm-CG and Martini 3. These fragments are assembled with parameters from Direct Boltzmann Inversion (DBI), determined from atomistic simulations, for bonded interactions between different fragments. This results in the coarse-grained SOM models. The properties of these models are then compared with the atomistic systems.