Fig 1. Protein folding simulations with the default C_α and all-atom models of the 64 residue chymotrypsin inhibitor 2 (PDB code: 1YPA).

Top: Folding trajectories near folding temperature (T_F) of the C_α (black) and all-atom (red) models. Bottom: Free energy as a function of $Q_{\mathrm{C}\alpha }$, the number of native C_α pairs within 1.5 times their native distance. The same coordinate is used to describe both models. Inset: Specific heat for the two models (normalized to have equal area). T_F in reduced units for the all-atom model is 0.97 and for the C_α model is 1.17 (117 and 140 in the GROMACS .mdp file, respectively).