Syntax:
dihedral_style opls
Examples:
dihedral_style opls dihedral_coeff 1 90.0 90.0 90.0 70.0
Description:
The opls dihedral style uses the potential
Note that the usual 1/2 factor is not included in the K values.
This dihedral potential is used in the OPLS force field and is described in (Watkins).
The following coefficients must be defined for each dihedral type via the dihedral_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
(Watkins) Watkins and Jorgensen, J Phys Chem A, 105, 4118-4125 (2001).