Reconstructing the equilibrium Boltzmann distribution from well‐tempered metadynamics
Reconstructing the equilibrium Boltzmann distribution from well‐tempered metadynamics
Massimiliano Bonomi,A. Barducci,M. Parrinello
2009 · DOI: 10.1002/jcc.21305
Journal of Computational Chemistry · 335 Citations
TLDR
The efficiency of the reweighting procedure is shown by reconstructing the distribution of the four backbone dihedral angles of alanine dipeptide from two and even one dimensional metadynamics simulation.
