Figure 4:

The distribution of states for ${\mathrm{T}}_4^{\text{s,c}}$ intermediates as a function of intermediate size (s) and number of dimer-dimer contacts (c), based on umbrella-sampled MC simulations. (a) 2D sampling assuming zero free energy per contact. The colors and contours represent the number of different configurations, Ω_4,s,c, for particles with a given c and s values. (b) The same distribution of states from (a) as a function of size (s) and degree of connectivity, D_C (Eq. 1). The color-scale is logarithmic. (c) 1D distribution of 76-dimer intermediates ${\mathrm{T}}_4^{76,\mathrm{c}}$ based on zero energy simulation. (d) The relative probability of intermediates ${\mathrm{T}}_4^{76,\mathrm{c}}$ with respect to the lowest energy intermediate ${\mathrm{T}}_4^{76,141}$ when Boltzmann’s factor was introduced for the case where the association free energy was set to −7 k_BT.