Table 1. Overview of the Aβ systems simulated.

For all systems, two simulation runs of 200 ns each were performed.

System	# Filaments	# Layers a	Aβ residues	# H2O	# Atoms
AL3x∞	3	∞	1–40	24,488	95,100
AT3x∞	3	∞	9–40	16,503	66,897
AL3x12	3	12	1–40	38,302	136,542
AT3x12	3	12	9–40	20,053	77,547
AL3x6	3	6	1–40	33,395	111,003
AT3x6	3	6	9–40	14,903	53,403
AL3x3	3	3	1–40	23,577	76,140
AT3x3	3	3	9–40	13,137	43,758

^a In the infinite fibril system, the periodic box contained 12 layers; see text for details