Figure (right panel) shows the simulation frames are plotted against the first two PCs. In the case of AGO2, the distribution of PC1 and PC2 values are relatively similar within Amber force fields and OPLS4, and AMOEBA samples a slightly larger conformational space. O3P water simulations sample the largest conformational space, but these states are likely highly defined by the larger fluctuations of the terminals. Generally, there are two to three somewhat distinct conformational states observed in the PCA plots for the Ago2 system.