# dihedral_style hybrid command ## Syntax ``` LAMMPS dihedral_style hybrid style1 style2 ... ``` - style1,style2 = list of one or more dihedral styles ## Examples ``` LAMMPS 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](dihedral_coeff) command or in the data file. In the dihedral_coeff commands, the name of a dihedral style must be added after the dihedral type, with the remaining coefficients being those appropriate to that style. In the example above, the 2 dihedral_coeff commands set dihedrals of dihedral type 1 to be computed with a *harmonic* potential with coefficients 6.0, 1, 3 for K, d, n. All other dihedral types (2-N) are computed with a *helix* potential with coefficients 10, 10, 10 for A, B, C. If dihedral coefficients are specified in the data file read via the [read_data](read_data) command, then the same rule applies. E.g. \"harmonic\" or \"helix\", must be added after the dihedral type, for each line in the \"Dihedral Coeffs\" section, e.g. Dihedral Coeffs 1 harmonic 6.0 1 3 2 helix 10 10 10 ... If *class2* is one of the dihedral hybrid styles, the same rule holds for specifying additional AngleTorsion (and EndBondTorsion, etc) coefficients either via the input script or in the data file. I.e. *class2* must be added to each line after the dihedral type. For lines in the AngleTorsion (or EndBondTorsion, etc) Coeffs section of the data file for dihedral types that are not *class2*, you must use an dihedral style of *skip* as a placeholder, e.g. AngleTorsion Coeffs 1 skip 2 class2 1.0 1.0 1.0 3.0 3.0 3.0 30.0 50.0 ... Note that it is not necessary to use the dihedral style *skip* in the input script, since AngleTorsion (or EndBondTorsion, etc) coefficients need not be specified at all for dihedral types that are not *class2*. A dihedral style of *none* with no additional coefficients can be used in place of a dihedral style, either in a input script dihedral_coeff command or in the data file, if you desire to turn off interactions for specific dihedral types. ------------------------------------------------------------------------ ## Restrictions This dihedral style can only be used if LAMMPS was built with the MOLECULE package. See the [Build package](Build_package) doc page for more info. Unlike other dihedral styles, the hybrid dihedral style does not store dihedral coefficient info for individual sub-styles in a [binary restart files](restart). Thus when restarting a simulation from a restart file, you need to re-specify dihedral_coeff commands. ## Related commands [dihedral_coeff](dihedral_coeff) ## Default none