Table 2.

Systems simulated in this study.

System	T (K)	Ensemble	Nlipid	Nwater/lipid	Use
DPPC bilayer	323.15	NPT	72	30.4	optimization, validation
		NPγT (−5 dyn/cm)	72		optimization
		NPγT (5 dyn/cm)	72		optimization
		NPT	288		validation
		NPT	648		validation
		NPT	1152		validation
	333.15	NPT	72		optimization, validation
DPPC monolayer	321	NLzγT (18 dyn/cm)	72	30.4	optimization, validation
		NLzγT (40 dyn/cm)	72		optimization, validation
		NLzγT (55 dyn/cm)	72		optimization, validation
DMPC bilayer	303.15	NPT	72	25.7	optimization, validation
DLPC bilayer	303.15	NPT	72	30.4	validation
POPC bilayer	303.15	NPT	72	31.1	optimization, validation
DOPC bilayer	303.15	NPT	72	33.5	validation
	303.15	NPT	288	30.4	validation
	303.15	NPT	648	33.5	validation
POPE bilayer	303.15	NPT	80	32.0	validation
	308.15	NPT	80	32.0	validation
DMPG bilayer	303.15	NPT	72	75.0	validation
	323.15	NPT	72		validation
	333.15	NPT	72		validation
POPG bilayer	303.15	NPT	72	45.0	validation
DHPC bilayer	321	NPT	80	30.0	optimization, validation
	333	NPT	80		optimization, validation
C3-PC solution	298.15	NPT	9	250	optimization, validation