.. _forcefield :

Forcefield methods
==================

This module defines the different force fields that are available
in `peleffy` to parameterize molecules for PELE.

.. currentmodule:: peleffy.forcefield

Primary objects
---------------

.. autosummary::
    :nosignatures:
    :template: class.rst
    :toctree: api/autogenerated

    OpenForceField
    OPLS2005ForceField
    OpenFFOPLS2005ForceField
    selectors.ForceFieldSelector

Secondary objects
-----------------

.. autosummary::
    :nosignatures:
    :template: class.rst
    :toctree: api/autogenerated

    calculators.Am1bccCalculator
    calculators.GasteigerCalculator
    calculators.OPLSChargeCalculator
    calculators.DummyChargeCalculator
    selectors.ChargeCalculatorSelector
    parameters.BaseParameterWrapper
    parameters.OpenForceFieldParameterWrapper
    parameters.OPLS2005ParameterWrapper
    parameters.OpenFFOPLS2005ParameterWrapper