Figure 4.

The left figure shows the average numbers of β‐hairpin backbone hydrogen bonds over the 20 simulations with scaled AMBER peptide atomic charges (solid line) and with the standard AMBER atomic charges (dotted line). The right figure shows the average peptide intramolecular hydrogen bonds over the 20 simulations with scaled AMBER peptide atomic charges (filled circle) and with the standard AMBER atomic charges (open circle)