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
-
ClassesClassDescriptionDoubleArray3D.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.