Table 5 Features of the various MD simulations. Summary of the main feature of the various MD runs. Number of solvent particles in each of the simulations. For trajectories F1–F7 are also provided the fraction of local and non-local native contacts at the beginning of the MD run, as well as the initial RMSD over the core of the protein (residues 9–32).

Simulation

Water Molecules

$q_l^0$

$q_{nl}^0$

initial core RMSD