Before revision: We adapt population annealing , a simulation scheme originating from Monte Carlo simulations , to all-atom molecular dynamics simulations . We demonstrate its excellent performance in computer simulations of biopolymers by investigating the folding of the penta-peptide met-enkephalin, a common test protein .
After revision: We adapt population annealing , a simulation scheme originating from Monte Carlo simulations , to all-atom molecular dynamics simulations and demonstrate its excellent performance in computer simulations of biopolymers by investigating the folding of the penta-peptide met-enkephalin, a common test protein .