Dihedrals schema

A full description of the overall Dihedrals model.

Required Keys

The following properties are required for the Dihedrals specification.

Key Name	Description	Field Type
connectivity	Particle indices for each dihedral angle.	array[array]
form	Name or form of the potential. See cls.supported_potentials() for available potentials.	string
params	Specific force field parameters model.	object

The following keys are optional for the Dihedrals specification.

Key Name	Description	Field Type
angles	Equilibrium dihedral angles. Default unit is degrees.	array[number]
angles_units	Equilibrium dihedral angle units.	string
weights	Something to consider later on? Ses CHARMM dihedral_style for LAMMPS.	array[number]