Figure 4.

Coarse-grained DOPC interactions. (a) Comparison between seven-site (DOPC-7V) and six-site (DOPC-6) pair potentials for a representative subset of all nonbonded interactions. Models generated using multiscale coarse-graining (MS-CG) and relative entropy minimization (REM) are also denoted by solid and dashed lines, respectively, yielding a total of four different models. Note the emergence of the SL-MG attraction in the DOPC-7V model, which appears to mediate MG-MG attraction (i.e., to maintain surface tension). (b) Bond and angle potentials were computed using MS-CG in the DOPC-7V case (solid) and DOPC-6 case (diamond symbols). For simplicity, the DOPC-6 bonded potentials were used for the two REM models.