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Metropolis acceptance function

The value of ATJ is calculated from the potential energy functions given above and used for the Metropolis acceptance probability W for the trial movement,... [Pg.46]

Ef+ 0 from the target function are calculated according to Eq. (10). The proposed configuration ff+l r) is accepted with the probability p given by the Metropolis rule... [Pg.147]

In RMC, random moves, i.e., changes in the configuration of the system, are performed as in the metropolis MC algorithm. Random moves are accepted or rejected so that the difference between the calculated and target S q) or g r) is minimized. If g(r) is used as the target function, the parameter to be minimized is ... [Pg.111]

Reject or accept the trial conformation in accordance with the Metropolis criterion in which the energy function in the Boltzmann factor is E)t-... [Pg.107]


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Acceptable functions

Acceptance function

Metropolis

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