\(\renewcommand{\AA}{\text{Å}}\)
dihedral_style cosine/squared/restricted command
Syntax
dihedral_style cosine/squared/restricted
Examples
dihedral_style cosine/squared/restricted
dihedral_coeff 1 10.0 120
Description
Added in version 17Apr2024.
The cosine/squared/restricted dihedral style uses the potential
, which is commonly used in the MARTINI force field.
See (Bulacu) for a description of the restricted dihedral for the MARTINI force field.
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:
\(K\) (energy)
\(\phi_0\) (degrees)
\(\phi_0\) is specified in degrees, but LAMMPS converts it to radians internally.
Restrictions
This dihedral style can only be used if LAMMPS was built with the EXTRA-MOLECULE package. See the Build package doc page for more info.
Default
none
(Bulacu) Bulacu, Goga, Zhao, Rossi, Monticelli, Periole, Tieleman, Marrink, J Chem Theory Comput, 9, 3282-3292 (2013).