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. 2014 May 6;9(5):e92475. doi: 10.1371/journal.pone.0092475

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© 2014 Biton et al

This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are properly credited.

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A 3D schematic example of the numerical scheme for generating constrained configurations for the Metropolis Monte Carlo computations. The surface can be thought of as a representation of a single constraint for a system with three degrees of freedom. The random move, is along the tangent plane to surface (the shaded discoid) spanned by , and the correction move, is along the normal to that plane. The complete move must be bound by the shaded sphere, so that the probability to move from to is equal to that of the reverse move.

Inline graphic — A 3D schematic example of the numerical scheme for generating constrained configurations for the Metropolis Monte Carlo computations. The surface can be thought of as a representation of a single constraint for a system with three degrees of freedom. The random move, is along the tangent plane to surface (the shaded discoid) spanned by , and the correction move, is along the normal to that plane. The complete move must be bound by the shaded sphere, so that the probability to move from to is equal to that of the reverse move.