Package ffx.potential.openmm
package ffx.potential.openmm
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ClassesClassDescriptionAmoebaCavitationForce.AmoebaMultipoleForce.OpenMM TorsionTorsion Force.The Amoeba vdW Force.OpenMM Angle Force.OpenMM Angle-Torsion Force.Bond Force.OpenMM Custom MTS Integrator.OpenMM Custom MTS Langevin Integrator.Fixed Charge Alchemical Forces.FixedChargeGBForce.Define a fixed charge non-bonded force.OpenMM Improper Torsion Force.OpenMM In-Plane Angle Force.Creates and manage an OpenMM Context.Compute the potential energy and derivatives using OpenMM.Create and manage an OpenMM Integrator.Retrieve state information from an OpenMM Simulation.Create and manage an OpenMM System.OpenMM Out-of-Plane Bend Force.OpenMM Pi-Orbital Torsion Force.Restrain Bonds Force.Restrain Groups Force.Restrain Positions Force.Restrain Torsions Force.OpenMM Stretch-Bend Force.OpenMM Stretch-Torsion Force.Urey-Bradley Force.