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dihedral_style helix command

Syntax:

dihedral_style helix 

Examples:

dihedral_style helix
dihedral_coeff 1 80.0 100.0 40.0 

Description:

The helix dihedral style uses the potential

This coarse-grain dihedral potential is described in (Guo). For dihedral angles in the helical region, the energy function is represented by a standard potential consisting of three minima, one corresponding to the trans (t) state and the other to gauche states (g+ and g-). The paper describes how the A,B,C parameters are chosen so as to balance secondary (largely driven by local interactions) and tertiary structure (driven by long-range interactions).

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


(Guo) Guo and Thirumalai, Journal of Molecular Biology, 263, 323-43 (1996).