Reweighted ensemble dynamics simulations: Theory, improvement, and application |
The eigenvalues and projection maps for MHAT potential under different temperatures. (a) The first seventy eigenvalues of H matrix calculated at different temperatures. For the three temperatures of 0.05 (b), 0.30 (c), and 0.85 (d), the projection of { G i } to the second, third, and fourth eigenvectors of H are also plotted. |