Figure 4.

Left: A representative distribution of stacking energies, U_S from simulations of a dimer represented by the TIS model. All configurations with U_S < −k_BT are considered as stacked. Right: The free energy of stacking for dimer $\frac{G}{C}$ as a function of temperature. The red solid line corresponds to the experimental line, with free energies given by the parameters in Table 2. The red filled circles represent simulation results, with h and s chosen such that the experimental temperature dependence is reproduced. These values correspond to the case where ΔG₀ = 0. The red open circles correspond to the case where T_m is reproduced, but the entropy is underestimated. The blue circles are simulation data for h and s where the free energy is shifted by a constant factor.