Simpatico  v1.10

Synopsis

Configuration bias algorithm for regrowth of an internal segment of a flexible linear polymer.

This algorithm is designed for use with flexible linear chains with potentiall stiff bond potentials. It is correct for angle potentials, but inefficient for stiff angle potentials, and invalid for models with dihedral potentials.

See also
McMd::CfbRebridgeMove

Parameters

The parameter file format is:

CfbRebridgeMove{
probability double
speciesId int
nRegrow int
nTrial int
length21 double
length10 double
kappa10 double
}

in which

probability probability that this move will be chosen.
speciesId integer index of molecular species
nRegrow number of atoms to attempt to regrow
length21 equilibrium bond length (2-1 bond)
length10 equilibrium bond length (1-0 bond)
kappa10 spring constant (1-0 bonds)