Table 1. Size in atoms, length of productions MD simulations, temperature, speed of the simulations on Frontera at TACC and lipid composition of the flat bilayers and the vesicle of the different systems.

qscff	1699436 atoms		750 ns	310 K	24 ns/day with 16 nodes
Upper bilayer	CHL1	POPC	POPS	SAPE	SDPE	SDPS	total
Upper leaflet	540	468	0	72	120	0	1200
%	45	39	0	6	10	0
Lower leaflet	540	146	84	120	240	96	1226
%	44	11.9	6.9	9.8	19.6	7.8
Lower bilayer	CHL1	POPC	POPS	SAPI2D	SAPE	SDPE	SDPS	total
Upper leaflet	540	134	120	60	84	168	120	1226
%	44	11	9.8	4.9	6.9	13.7	9.8
Lower leaflet	540	538	0	0	48	84	0	1200
%	45	44	0	0	4	7	0
sqscff	1700475 atoms		270 ns	310 K 24 ns/day with 16 nodes
qscv	3222393 atoms		520 ns	310 K	23 ns/day with 32 nodes
			454 ns	325 K
Vesicle	CHL1	POPC	SAGL	SAPE	SAPI2D	SDPE	SDPS	SOPS	total
Outer leaflet	1258	296	0	534	0	282	210	199	2779
%	45.3	10.6	0	19.2	0	10.1	7.6	7.2
Inner leaflet	814	668	0	183	0	99	1	1	1766
%	46.1	37.8	0	10.4	0	5.6	0.1	0.1
Flat bilayer	CHL1	POPC	SAGL	SAPE	SAPI2D	SDPE	SDPS	SOPS	total
Upper leaflet	540	96	12	84	60	156	120	120	1188
%	45.4	8.1	1	7.1	5.1	13.1	10.1	10.1
Lower leaflet	540	516	12	36	0	84	0	0	1188
%	45.4	43.4	1	3	0	7.1	0	0
prsg	5056443 atoms		336 ns	310 K	13 ns/day with 32 nodes
Flat bilayer	CHL1	POPC	SAGL	SAPE	SAPI2D	SDPE	SDPS	SOPS	total
Upper leaflet	830	151	18	132	93	262	182	181	1849
%	44.9	8.2	1	7.1	5	14.2	9.8	9.8
Lower leaflet	810	774	18	72	0	126	0	0	1800
%	45	43	1	4	0	7	0	0
prs2	5870280 atoms		310 ns	310 K	16 ns/day 48 nodes
Flat bilayer	CHL1	POPC	SAGL	SAPE	SAPI2D	SDPE	SDPS	SOPS	total
Upper leaflet	1035	184	23	161	115	322	230	230	2300
%	45	8	1	7	5	14	10	10
Lower leaflet	1009	964	22	88	0	154	0	0	2237
%	45.1	43.1	1	3.9	0	6.9	0	0
prsncpxca	5870246 atoms		439 ns	310 K	16 ns/day 48 nodes

Vesicle: same as qscv system.

Flat bilayer: same as prs2 system.