molsysmt.third_party.openmm.forces.add_constant_force

molsysmt.third_party.openmm.forces.add_constant_force(molecular_system, selection='all', force='[500,0,0] kilojoules/(mole*nanometer)', return_force=False, syntax='MolSysMT', skip_digestion=False)

Adding a constant directional force vector to selected particles in OpenMM.

Parameters:

• molecular_system (molecular system) – Molecular system in any supported MolSysMT format.

• selection (str, list, tuple, or numpy.ndarray, default='all') – Selection string or boolean/integer array specifying elements.

• force (object, default='[500,0,0] kilojoules/(mole*nanometer)') – Argument force.

• return_force (object, default=False) – Argument return_force.

• syntax (str, default='MolSysMT') – Selection syntax used to evaluate selection (e.g., ‘MolSysMT’, ‘MDTraj’).

• skip_digestion (bool, default=False) – Whether to skip MolSysMT’s internal argument digestion mechanism.

Returns:

The added constant force instance.

Return type:

openmm.CustomExternalForce

Added in version 1.0.0.