Class AmoebaGeneralizedKirkwoodForce

java.lang.Object
ffx.openmm.Force
ffx.openmm.amoeba.GeneralizedKirkwoodForce
ffx.potential.openmm.AmoebaGeneralizedKirkwoodForce

public class AmoebaGeneralizedKirkwoodForce extends GeneralizedKirkwoodForce
  • Constructor Details

    • AmoebaGeneralizedKirkwoodForce

      public AmoebaGeneralizedKirkwoodForce(OpenMMEnergy openMMEnergy)
  • Method Details

    • constructForce

      public static Force constructForce(OpenMMEnergy openMMEnergy)
      Convenience method to construct an AMOEBA Generalized Kirkwood Force.
      Parameters:
      openMMEnergy - The OpenMM Energy instance that contains the GK information.
      Returns:
      An AMOEBA GK Force, or null if there are no GK interactions.
    • updateForce

      public void updateForce(Atom[] atoms, OpenMMEnergy openMMEnergy)
      Update the force.
      Parameters:
      atoms - The atoms to update.
      openMMEnergy - The OpenMM energy.