Among the corresponding models in Martini, the following pairs are currently represented identically: ). This is also the case for their respective head-type variants: DLPE & DMPE, DLPS & DMPS, etc. To resolve this issue we explore two different CG representations of the lipids that allow to uniquely map each molecule, experimenting with the use of multiple bead sizes to preserve degrees of freedom in the models and allowing SwarmCG to precisely accommodate the reference data. (e) CG bonds and angles are defined as building blocks and classified according to the CG beads they involve, which defines the type of a specific bond/angle as well as the parameters employed. (f) Principle of the OT-B metrics used for exploiting structure-based information from AA reference simulations.