forces.rst

.. _forces:

======
Forces
======

The ``Force`` abstract class
============================

The ``Force`` objects added to a ``System`` define the behavior of the
particles. ``Force`` is an abstract class; subclasses implement specific behaviors. Classes that extend ``Force`` may implement actual physical forces, or any number of processes that either actually apply forces to particles or directly modify their positions or momenta.

.. toctree::
    :maxdepth: 2

    generated/Force


Common bonded and non-bonded forces
===================================

These classes implement forces that are widely used in biomolecular simulation.

.. toctree::
    :maxdepth: 2

    generated/ConstantPotentialForce
    generated/CMAPTorsionForce
    generated/DrudeForce
    generated/GBSAOBCForce
    generated/GayBerneForce
    generated/HarmonicAngleForce
    generated/HarmonicBondForce
    generated/LCPOForce
    generated/NonbondedForce
    generated/PeriodicTorsionForce
    generated/RBTorsionForce


AMOEBA forces
=============

These forces are used to implement the polarizable AMOEBA force fields.

.. toctree::
    :maxdepth: 2

    generated/AmoebaGeneralizedKirkwoodForce
    generated/AmoebaMultipoleForce
    generated/AmoebaTorsionTorsionForce
    generated/AmoebaVdwForce
    generated/AmoebaWcaDispersionForce
    generated/HippoNonbondedForce


Pseudo-forces
=============

These inherit from ``Force``, but do not describe physical forces. They are used
for a variety of purposes: to implement thermostats or barostats, to apply biasing
potentials, or to otherwise modify the simulation from step to step.

.. toctree::
    :maxdepth: 2

    generated/AndersenThermostat
    generated/ATMForce
    generated/CMMotionRemover
    generated/MonteCarloAnisotropicBarostat
    generated/MonteCarloBarostat
    generated/MonteCarloFlexibleBarostat
    generated/MonteCarloMembraneBarostat
    generated/OrientationRestraintForce
    generated/RGForce
    generated/RMSDForce
    generated/RPMDMonteCarloBarostat


.. _custom-forces:

Custom Forces
=============

OpenMM provides a number of classes that make it easier to implement custom
forces for common scenarios. These classes implement constructors that take an
algebraic expression as a string. The class is instantiated (not extended) to
provide a ``Force`` object that efficiently implements the provided
expression.

.. toctree::
    :maxdepth: 2

    generated/CustomAngleForce
    generated/CustomBondForce
    generated/CustomCVForce
    generated/CustomCentroidBondForce
    generated/CustomCompoundBondForce
    generated/CustomExternalForce
    generated/CustomGBForce
    generated/CustomHbondForce
    generated/CustomManyParticleForce
    generated/CustomNonbondedForce
    generated/CustomTorsionForce
    generated/CustomVolumeForce