dihedral_style zero command


dihedral_style zero keyword
  • zero or more keywords may be appended

  • keyword = nocoeff


dihedral_style zero
dihedral_style zero nocoeff
dihedral_coeff *


Using a dihedral style of zero means dihedral forces and energies are not computed, but the geometry of dihedral quadruplets is still accessible to other commands.

As an example, the compute dihedral/local command can be used to compute the theta values for the list of quadruplets of dihedral atoms listed in the data file read by the read_data command. If no dihedral style is defined, this command cannot be used.

The optional nocoeff flag allows to read data files with a DihedralCoeff section for any dihedral style. Similarly, any dihedral_coeff commands will only be checked for the dihedral type number and the rest ignored.

Note that the dihedral_coeff command must be used for all dihedral types, though no additional values are specified.