The following charge parameters for 12 distinct phospholipids were determined, following an AMBER compatible approach. These parameters were validated by building a bilayer system for each phospholipid type and by comparing structural and dynamical values with experimental data available. When considering the DOPC phospholipid a good correlation with experimental available data was obtained. For each phospholipid, its name, 4-letter code, composition of aliphatic chains (sn₁/sn₂), and parameter files are presented. In addition, the values for volume per lipid (V_L), area per lipid (A_L), and bilayer thickness (D_HH) in a bilayer setting are given, together with experimental data (when available). For the DOPC phospholipid, order parameters for the acyl chains are displayed and compared with experiment. These parameters were obtained under the General Amber Force Field (GAFF) terminology and general parameters.

1,2-dioleoyl-sn-glycero-3-phosphocholine

	Name	1,2-dioleoyl-sn-glycero-3-phosphocholine
	4-Letter code	DOPC
	sn1-sn2	18:1(Δ9)/18:1(Δ9)
	parameters	frcmod prepc		[Coimbra, 2013]
	Validation
	Value	MD ± σ / Å	Experimental / Å	Reference (Exp.)
	VL	1292 ± 2	1303	Nagle, 2000 Kučerka, 2005 , 2008
	AL	66 ± 1.2	72.5, 72.4, 67.4
	DHH	39 ± 0.3	36.9, 36.7

1,2-dilauroyl-sn-glycero-3-phosphocholine

	Name	1,2-dilauroyl-sn-glycero-3-phosphocholine
	4-Letter code	DLPC
	sn1-sn2 composition	12:0/12:0
	parameter files	frcmod prepc		[Coimbra, 2013]
	Validation
	Value	MD ± σ / Å	Experimental / Å	Reference (Exp.)
	VL	927 ± 2	991	Kučerka 2005
	AL	45 ± 0.8	63.2, 60.8
	DHH	39 ± 0.2	30.8

1,2-dimyristoyl-sn-glycero-3-phosphocholine

	Name	1,2-dimyristoyl-sn-glycero-3-phosphocholine
	4-Letter code	DMPC
	sn1-sn2 composition	14:0/14:0
	parameter files	frcmod prepc		[Coimbra, 2013]
	Validation
	Value	MD ± σ / Å	Experimental / Å	Reference (Exp.)
	VL	1023 ± 2	1101	Nagle 2000 Kučerka 2005 Kučerka 2011
	AL	53 ± 0.8	59.6, 59.9, 60.6
	DHH	38 ± 0.2	36.0, 35.3

1,2-dipalmitoyl-sn-glycero-3-phosphocholine

	Name	1,2-dipalmitoyl-sn-glycero-3-phosphocholine
	4-Letter code	DPPC
	sn1-sn2 composition	16:0/16:0
	parameter files	frcmod prepc		[Coimbra, 2013]
	Validation
	Value	MD ± σ / Å	Experimental / Å	Reference (Exp.)
	VL	1123 ± 2	1232, 1229, 1144	Nagle 2000 Kučerka 2008
	AL	51 ± 0.7	64.0, 63.1, 47.9
	DHH	44 ± 0.2	38.0, 38.3, 44.2

1-palmitoyl,2-oleoyl-sn-glycero-3-phosphocholine

	Name	1-palmitoyl,2-oleoyl-sn-glycero-3-phosphocholine
	4-Letter code	POPC
	sn1-sn2 composition	16:0/18:1(Δ9)
	parameter files	frcmod prepc		[Coimbra, 2013]
	Validation
	Value	MD ± σ / Å	Experimental / Å	Reference (Exp.)
	VL	1224 ± 2	1256	Kučerka 2005
	AL	52 ± 1.0	68.3, 64.3
	DHH	46 ± 0.3	37.0

1-palmitoyl-2-linoleoyl-sn-glycero-phosphocholine

	Name	1-palmitoyl-2-linoleoyl-sn-glycero-phosphocholine
	4-Letter code	PLPC
	sn1-sn2 composition	16:0/18:2(Δ9,12)
	parameter files	frcmod prepc	[Coimbra, 2013]
	Validation
	Value	MD ± σ / Å
	VL	1226 ± 3
	AL	55 ± 1.2
	DHH	44 ± 0.4

1,2-dilauroyl-sn-glycero-3-phosphoethanolamine

	Name	1,2-dilauroyl-sn-glycero-3-phosphoethanolamine
	4-Letter code	DLPE
	sn1-sn2 composition	12:0/12:0
	parameter files	frcmod prepc		[Coimbra, 2013]
	Validation
	Value	MD ± σ / Å	Experimental / Å	Reference (Exp.)
	VL	854 ± 2	907, 863	Nagle 2000 McIntosh 1986
	AL	40 ± 0.4	51.2, 41.0
	DHH	40 ± 0.1	35.6, 33.0, 39.8

1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine

	Name	1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine
	4-Letter code	DMPE
	sn1-sn2 composition	14:0/14:0
	parameter files	frcmod prepc		[Coimbra, 2013]
	Validation
	Value	MD ± σ / Å
	VL	961 ± 2
	AL	44 ± 0.7
	DHH	42 ± 0.1

1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine

	Name	1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine
	4-Letter code	DPPE
	sn1-sn2 composition	16:0/16:0
	parameter files	frcmod prepc		[Coimbra, 2013]
	Validation
	Value	MD ± σ / Å
	VL	1066 ± 3
	AL	44 ± 0.5
	DHH	47 ± 0.3

1,2-distearoyl-sn-glycero-3-phosphoethanolamine

	Name	1,2-distearoyl-sn-glycero-3-phosphoethanolamine
	4-Letter code	DSPE
	sn1-sn2 composition	18:0/18:0
	parameter files	frcmod prepc		[Coimbra, 2013]
	Validation
	Value	MD ± σ / Å
	VL	1162 ± 3
	AL	43 ± 0.3
	DHH	52 ± 0.2

1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine

	Name	1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine
	4-Letter code	POPE
	sn1-sn2 composition	16:0/18:1(Δ9)
	parameter files	frcmod prepc		[Coimbra, 2013]
	Validation
	Value	MD ± σ / Å	Experimental / Å	Reference (Exp.)
	VL	1149 ± 3	1185	Rappolt 2003
	AL	46 ± 0.6	61.0
	DHH	48 ± 0.3	39.0

1-palmitoyl-2-linoleoyl-sn-glycero-phosphoethanolamine

	Name	1-palmitoyl-2-linoleoyl-sn-glycero-phosphoethanolamine
	4-Letter code	PLPE
	sn1-sn2 composition	16:0/18:2(Δ9,12)
	parameter files	frcmod prepc	[Coimbra, 2013]
	Validation
	Value	MD ± σ / Å
	VL	1152 ± 2
	AL	48 ± 0.5
	DHH	46 ± 0.3

Coimbra, J.T.S.; Sousa, S.F.; Fernandes, P.A.; Rangel, M.; Ramos, M.J.. Biomembrane simulations of 12 lipid types using the general amber force field in a tensionless ensemble . J. Biomol. Struct. Dyn., 2013