Fig. 2. Distribution of the BChl–BChl distance (left) and the orientation factor κ (right) for the V1αβ (green) and V2αβ (blue) couplings for the three complexes. The BChl–BChl distance is here calculated on the basis of the effective center of the macrocycle ring defined as the average of the four nitrogen atom positions. The orientation factor κ is defined according to the Förster theory. We plotted the distribution over the whole MD (dashed black line) and over the select 50 frames (colored solid lines). The vertical sticks indicate the values measured on the crystal structures.