Extended continuum configurational bias Carlos

Escobedo, F.A., De Pablo, J.J. Extended continuum configurational bias Monte Carlo methods for simulation of flexible molecules. J. Chem. Phys. 1995, 102, 2636-52. 

Figure 1. Illustration of the principle of operation of various elementary Monte Carlo moves from top to bottom single-site displacement moves, reptation moves, Continuum configurational-bias move, Extended continuum configurational-bias (ECCB) moves and also concerted-rotation moves (CONROT), and end-bridge moves.

In the continuum case, various strategies can be used to achieve closure. In the case of Extended continuum configurational bias (ECCB) Monte Carlo [33], a simple geometric constraint is employed to ensure that the chain is correctly closed. Since the geometric constraint does not take intramolecular... 

To make Monte Carlo moves of long chain molecules possible, Siepmann and Frenkel developed the configurational-bias Monte Carlo technique for lattice models. This technique is based on the early work of Rosenbluth and Rosenbluth and Harris and Rice. This technique has since been extended to continuum models by Frenkel et al. and de Pablo et al. ... 

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See also in sourсe #XX -- [ ]

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