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. 2019 Jul 25;15(8):4497–4506. doi: 10.1021/acs.jctc.9b00529

Figure 1.

Figure 1

Schematic illustration of the BE matching conditions on a 1D lattice model. Site 3 is the center of fragment B and the edge of fragments A and C, which gives rise to the matching conditions in eq 5 (blue arrows). Similar matching conditions exist for sites 2 (red arrow) and 4 (green arrow).