Uses of Package
ffx.openmm

Packages that use ffx.openmm

Package	Description
ffx.openmm	The OpenMM package includes Java classes that are analogues of the OpenMM C++ API.
ffx.openmm.amoeba	The AMOEBA package includes Java classes that are analogues of the OpenMM C++ API for the AMOEBA model.
ffx.openmm.drude	The Drude package includes Java classes that are analogues of the OpenMM C++ API for the Charmm Drude model.
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.

Classes in ffx.openmm used by ffx.openmm

Class	Description
BondArray	Bonds are specified by pairs of integers (the atom indices).
Context	A Context stores the complete state of a simulation.
DoubleArray	DoubleArray wrapper.
Force	Force objects apply forces to the particles in a System, or alter their behavior in other ways.
IntArray	Int Array.
Integrator	An Integrator defines a method for simulating a System by integrating the equations of motion.
IntSet	Int Set.
LangevinMiddleIntegrator	This is an Integrator which simulates a System using Langevin dynamics, with the LFMiddle discretization (J.
Platform	A Platform defines an implementation of all the kernels needed to perform some calculation.
State	A State object records a snapshot of the current state of a simulation at a point in time.
StringArray	String Array.
System	This class represents a molecular system.
TabulatedFunction	A TabulatedFunction uses a set of tabulated values to define a mathematical function.
Vec3Array	Vec3 Array.
VirtualSite	A VirtualSite describes the rules for computing a particle's position based on other particles.

Classes in ffx.openmm used by ffx.openmm.amoeba

Class	Description
Context	A Context stores the complete state of a simulation.
DoubleArray	DoubleArray wrapper.
Force	Force objects apply forces to the particles in a System, or alter their behavior in other ways.
IntArray	Int Array.

Classes in ffx.openmm used by ffx.openmm.drude

Class	Description
Context	A Context stores the complete state of a simulation.
Force	Force objects apply forces to the particles in a System, or alter their behavior in other ways.
Integrator	An Integrator defines a method for simulating a System by integrating the equations of motion.
NoseHooverIntegrator	This is an Integrator which simulates a System using one or more Nose Hoover chain thermostats, using the "middle" leapfrog propagation algorithm described in J.

Classes in ffx.openmm used by ffx.potential.openmm

Class	Description
AndersenThermostat	This class uses the Andersen method to maintain constant temperature.
CMMotionRemover	This class prevents the center of mass of a System from drifting.
Context	A Context stores the complete state of a simulation.
CustomAngleForce	This class implements interactions between sets of three particles that depend on the angle between them.
CustomBondForce	This class implements bonded interactions between pairs of particles.
CustomCentroidBondForce	This class is similar to CustomCompoundBondForce, but instead of applying forces between individual particles, it applies them between the centers of groups of particles.
CustomCompoundBondForce	This class supports a wide variety of bonded interactions.
CustomExternalForce	This class implements an "external" force on particles.
CustomGBForce	This class implements complex, multiple stage nonbonded interactions between particles.
CustomIntegrator	This is an Integrator that can be used to implemented arbitrary, user defined integration algorithms.
CustomNonbondedForce	This class implements nonbonded interactions between particles.
Force	Force objects apply forces to the particles in a System, or alter their behavior in other ways.
HarmonicBondForce	This class implements an interaction between pairs of particles that varies harmonically with the distance between them.
Integrator	An Integrator defines a method for simulating a System by integrating the equations of motion.
LangevinIntegrator	This is an Integrator which simulates a System using Langevin dynamics.
MonteCarloBarostat	This class uses a Monte Carlo algorithm to adjust the size of the periodic box, simulating the effect of constant pressure.
NonbondedForce	This class implements nonbonded interactions between particles, including a Coulomb force to represent electrostatics and a Lennard-Jones force to represent van der Waals interactions.
PeriodicTorsionForce	This class implements an interaction between groups of four particles that varies periodically with the torsion angle between them.
Platform	A Platform defines an implementation of all the kernels needed to perform some calculation.
State	A State object records a snapshot of the current state of a simulation at a point in time.
System	This class represents a molecular system.
VerletIntegrator	Verlet Integrator.