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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_angles:
    - types: [STRING, STRING, STRING]
      potential: no_potential
  • STRING = Name of the atom type (specie) involved in the bending angle.

Usage examples

Systems with a single atom type (specie)

molecule_force_field:
  potentials_for_angles:
    - types: [CA, CA, CA]
      potential: no_potential

Systems with several atom types (species)

molecule_force_field:
  potentials_for_angles:
    - types: [CA, CA, CA]
      potential: no_potential
    - types: [CA, CA, CR4]
      potential: no_potential