Synopsis

This McMove implements a configuration bias reptation algorithm. A configuration bias regrowth algorithm is used to attempt to remove a bead from one end of a flexible linear chain and regrow it at the other end. It uses trial positions with bond lengths chosen from a Boltzmann distribution, with random bond orientations. Angle and external potentials are included in the Rosenbluth weight, but not in the generation probabilities. Dihedral potentials are not included at all.

This algorithm is designed for use with flexible linear chains with stiff bond potentials, and chains with soft angle potentials. It is correct but inefficient for models with stiff angle potentials. It is not valid for molecules with dihedral potentials. The constraints apply to all McMove classes derived from McMd::CfbLinear.

See also: McMd::CfbReptateMove

Parameters

The parameter file format is:

CfbReptateMove{ 
   probability        double
   speciesId          int
   nTrial             int
}

in which

probability	probability that this move will be chosen.
speciesId	integer index of molecular species
nTrial	number of trial positions per added atom.