Figure 1.

Schematic of the coarse-grained mapping procedure for DOPC and DPPC. (a) The CG model consists of six sites that together represent all lipid atoms, while the virtual SL site represents local structural features of solvent near lipid head groups. (b) The red path indicates conventional implicit-solvent CG mapping procedures, while the green path indicates the procedure used in this work: water is first mapped to single-site particles and used to construct virtual SL sites. Explicit details on mapping can be found in Table S1 and Figure S1.