No potential¶

Description¶

The no_potential type corresponds to a potential with zero force and energy

\[ E = 0 \]

YAML syntax¶

molecule_force_field:
  potentials_for_impropers:
    - types: [STRING, STRING, STRING, STRING]
      potential: no_potential

STRING = Name of the atom type (specie) involved in the improper torsion angle.

Usage examples¶

Systems with several atom types (species)

molecule_force_field:
  potentials_for_impropers:
    - types: [CA, CA, CA, CT]
      potential: no_potential
    - types: [CA, CA, CA, H]
      potential: no_potential