Chol 15% POPC core force field validation

POPC simulation parameterized with Sage2.2.1.aux.offxml

Lipids: POPC/CHOL
Lipid count: 108 POPC (54 per leaflet) / 20 CHOL (10 per leaflet)
Solvent: TIP3P
Solvent count: 5120
Ions: no
Ion Count: n/a
Temperature: 300K
Length of equilibration: 100ns (40 NVT - 60 NPT)
Length of production: 500ns

• HMR w/ 4fs timestep
• 0.9 rvdw/rcouloumb cutoff
• 0.8 rvdw-switch

SMILES strings:
POPC: [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O
CHOL: [C@]12(CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(C)C)CC[C@@]21[H])[H]