The bonded parameters obtained for the fragments were further validated with four ILs from the literature, for which CHARMM36 parameters are available . We focus on the two widely known ILs, DLMC3 and DLKC2, which will henceforth be referred to as DUM3 / DUMP and DUK2 / DUKP, depending on the protonation state, or simply MC3 and KC2. Using the CHARMM36 FF , these two IL types were simulated in a IL:POPC bilayer (30:70 mol%) during 1 𝜇s for both the fully charged and neutral state. The corresponding CG systems were simulated for 1 𝜇s as well, and the bonded distributions were compared between the atomistic and CG simulations. See Figure -11 for the SASA and bonded distributions for DUM3/MP and DUK2/KP, the rest can be found on the GitHub (Initiative/M3-Ionizable-Lipids/). This comparison aimed to verify that the bonded parameters derived from the OPLS fragment simulations match well with those obtained from whole ILs, albeit obtained using a different atomistic force field. In addition to these ILs, Amber FF simulations of Pfizer (ALC-0315) and Moderna (SM-102) from the work of Paloncová et al. were also used to cross-validate their CG equivalents. The bonded and SASA distributions showed a good overlap between the atomistic lipid, fragment and coarse grained lipid model.