Package ffx.openmm.amoeba


@ParametersAreNonnullByDefault package ffx.openmm.amoeba
The AMOEBA package includes Java classes that are analogues of the OpenMM C++ API for the AMOEBA model.
Since:
1.0
Author:
Michael J. Schnieders
  • Classes
    Class
    Description
    DoubleArray3D.
    This class implements an implicit solvation force using the Amoeba Generalized Kirkwood model.
    Implicit Solvent Cavitation Force.
    This class implements all nonbonded interactions in the HIPPO force field: electrostatics, induction, charge transfer, dispersion, and repulsion.
    This class implements the Amoeba multipole interaction.
    This class implements the Amoeba torsion-torsion interaction.
    This class models van der Waals forces in the AMOEBA force field.
    This class implements a nonbonded interaction between pairs of particles typically used along with AmoebaGeneralizedKirkwoodForce as part of an implicit solvent model.