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dihedral_style opls command

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:

dihedral_coeff

Default: none


(Watkins) Watkins and Jorgensen, J Phys Chem A, 105, 4118-4125 (2001).