Syntax:
dihedral_style hybrid style1 style2 ...
Examples:
dihedral_style hybrid harmonic helix dihedral_coeff 1 harmonic 6.0 1 3 dihedral_coeff 2 helix 10 10 10
Description:
The hybrid style enables the use of multiple dihedral styles in one simulation. An dihedral style is assigned to each dihedral type. For example, dihedrals in a polymer flow (of dihedral type 1) could be computed with a harmonic potential and dihedrals in the wall boundary (of dihedral type 2) could be computed with a helix potential. The assignment of dihedral type to style is made via the dihedral_coeff command or in the data file.
In the dihedral_coeff command, the first coefficient sets the dihedral style and the remaining coefficients are those appropriate to that style. In the example above, the 2 dihedral_coeff commands would set dihedrals of dihedral type 1 to be computed with a harmonic potential with coefficients 80.0, 1.2 for K, d, n. Dihedral type 2 would be computed with a helix potential with coefficients 10.0, 10.0, 10.0 for A, B, C.
A dihedral style of none can be specified as an argument to dihedral_style hybrid and the corresponding dihedral_coeff commands, if you desire to turn off certain dihedral types.
Restrictions: none
Related commands:
Default: none