Before revision: We have combined and integrated our previously developed library-based Growth and Monte Carlo simulation techniques in order to allow for both thorough sampling and free energy measurements of all-atom peptides.
After revision: We have combined and integrated our previously developed library-based Monte Carlo") and for obtaining absolute free energies using a polymer-growth formalism. Here, we combine the two approaches to extend the size of systems for which free energies can be calculated. We study a series of all-atom peptides.