Package ffx.potential.openmm
@ParametersAreNonnullByDefault
package ffx.potential.openmm
The openmm package contains utilities to construct and run Force Field X
potentials on the OpenMM platform, including system builders, custom forces,
alchemical fixed-charge forces, and integrators tailored to FFX simulations.
- Since:
- 1.0
- Author:
- Michael J. Schnieders
-
ClassDescriptionAmoebaCavitationForce.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.Create and manage an OpenMM Dual-Topology System.Compute the potential energy and derivatives using OpenMM.Create and manage an OpenMM Integrator.An interface for classes that provide an OpenMM potential energy implementation.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-Distance Force.Restrain Groups Force.Restrain Positions Force.Restrain Torsions Force.OpenMM Stretch-Bend Force.OpenMM Stretch-Torsion Force.Torsion Force.Urey-Bradley Force.