Application of the Wang-Landau algorithm to the dimerization of glycophorin A.

@article{Gervais2009ApplicationOT,
  title={Application of the Wang-Landau algorithm to the dimerization of glycophorin A.},
  author={Claire Gervais and Thomas W{\"u}st and David P. Landau and Ying Xu},
  journal={The Journal of chemical physics},
  year={2009},
  volume={130 21},
  pages={215106}
}
A two-step Monte Carlo procedure is developed to investigate the dimerization process of the homodimer glycophorin A. In the first step, the energy density of states of the system is estimated by the Wang-Landau algorithm. In the second step, a production run is performed during which various energetical and structural observables are sampled to provide… CONTINUE READING