Simpatico
v1.10
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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.
The parameter file format is:
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) |