Toward Structure Prediction for Short Peptides Using the Improved SAAP Force Field Parameters
Figure 3
Histograms of the distance between Cα atoms of Tyr1 and Met5 for 10,000 structures of Met-enkephalin obtained by the SAAP-MC (a) and AMBER-MD (b) simulations at 300 K in water. The results from ten trajectories were averaged. See the text for details of simulation conditions.
