Class ImproperTorsionForce

java.lang.Object
ffx.openmm.Force
ffx.openmm.PeriodicTorsionForce
ffx.potential.openmm.ImproperTorsionForce

public class ImproperTorsionForce extends PeriodicTorsionForce
OpenMM Improper Torsion Force.
  • Constructor Details

    • ImproperTorsionForce

      public ImproperTorsionForce(OpenMMEnergy openMMEnergy)
      Create an OpenMM Improper Torsion Force.
      Parameters:
      openMMEnergy - The OpenMM Energy instance that contains the improper torsions.
  • Method Details

    • setLambdaTorsion

      public void setLambdaTorsion(double lambdaTorsion)
      Set the lambda torsion scale factor.
      Parameters:
      lambdaTorsion - The lambda torsion scale factor.
    • constructForce

      public static Force constructForce(OpenMMEnergy openMMEnergy)
      Convenience method to construct an OpenMM Improper Torsion Force.
      Parameters:
      openMMEnergy - The OpenMM Energy instance that contains the improper torsions.
      Returns:
      An Improper Torsion Force, or null if there are no improper torsions.
    • updateForce

      public void updateForce(OpenMMEnergy openMMEnergy)
      Update the Improper Torsion force.
      Parameters:
      openMMEnergy - The OpenMM Energy that contains the improper torsions.