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A MetaDynamics Package
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Bibliography
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A. Blondel and M. Karplus. New formulation for derivatives of torsion angles and improper torsion angles in molecular mechanics: Elimination of singularities. J. Comput. Chem., 17:1132 – 1141, 1996.

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E. Darve, D. Rodriguez-Gomez, and A. Pohorille. Adaptive biasing force method for scalar and vector free energy calculations. J. Chem. Phys., 128:144120, 2008.

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RenĂ© C. van Schaik, Herman J.C. Berendsen, Andrew E. Torda, and Wilfred F. van Gunsteren. A structure refinement method based on molecular dynamics in four spatial dimensions. Journal of Molecular Biology, 234(3):751 – 762, 1993.

[4]

J. Whitmer, C. Chiu, A. Joshi, and de Pablo J. J. Basis function sampling: A new paradigm for material property computation. Phys. Rev. Lett., 113:190602, 2014.