Syntax:
bond_style fene
Examples:
bond_style fene bond_coeff 1 30.0 1.5 1.0 1.0
Description:
The fene bond style uses the potential
to define a finite extensible nonlinear elastic (FENE) potential (Kremer), used for bead-spring polymer models. The first term is attractive, the 2nd Lennard-Jones term is repulsive. The first term extends to R0, the maximum extent of the bond. The 2nd term is cutoff at 2^(1/6) sigma, the minimum of the LJ potential.
The following coefficients must be defined for each bond type via the bond_coeff command as in the example above, or in the data file or restart files read by the read_data or read_restart commands:
Restrictions: none
Related commands:
Default: none
(Kremer) Kremer, Grest, J Chem Phys, 92, 5057 (1990).