Figure 1.

(a) FF chemical structure and (b) its general mapping in MARTINI with each F residue represented by a single backbone bead (red) and three side chain beads (black). (c–e) Mapping differences and structures after 5 μs of simulations using 1200 FF molecules with versions (c) 2.1, (d) 2.2, and (e) 3 of the MARTINI force field. Water and ions are removed for clarity, and the simulation box is shown in green.