Class Hierarchy

This inheritance list is sorted roughly, but not completely, alphabetically:

[detail level 12]

Context	A Context stores the complete state of a simulation
Element	An Element represents a chemical element
Force	Force objects apply forces to the particles in a System, or alter their behavior in other ways
AmoebaAngleForce	This class implements an interaction between triplets of particles that varies with the angle between them
AmoebaBondForce	This class implements an interaction between pairs of particles that varies with the distance between them
AmoebaGeneralizedKirkwoodForce	This class implements an implicit solvation force using the generalized Kirkwood/Grycuk model
AmoebaInPlaneAngleForce	This class implements an interaction at trigonal centers corresponding to the projected in-plane angle bend energy between four particles
AmoebaMultipoleForce	This class implements the Amoeba multipole interaction
AmoebaOutOfPlaneBendForce	This class implements the Amoeba out-of-plane bend interaction
AmoebaPiTorsionForce	This class implements the Amoeba pi-torsion interaction
AmoebaStretchBendForce	This class implements the Amoeba stretch-bend interaction
AmoebaTorsionTorsionForce	This class implements the Amoeba torsion-torsion interaction
AmoebaVdwForce	This class implements a buffered 14-7 potential used to model van der Waals forces
AmoebaWcaDispersionForce	This class implements a nonbonded interaction between pairs of particles typically used along with AmoebaGeneralizedKirkwoodForce as part of an implicit solvent model
AndersenThermostat	This class uses the Andersen method to maintain constant temperature
CMAPTorsionForce	This class implements an interaction between pairs of dihedral angles
CMMotionRemover	This class prevents the center of mass of a System from drifting
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
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
CustomHbondForce	This class supports a wide variety of energy functions used to represent hydrogen bonding
CustomNonbondedForce	This class implements nonbonded interactions between particles
CustomTorsionForce	This class implements interactions between sets of four particles that depend on the torsion angle between them
GBSAOBCForce	This class implements an implicit solvation force using the GBSA-OBC model
GBVIForce	This class implements an implicit solvation force using the GB/VI model
HarmonicAngleForce	This class implements an interaction between groups of three particles that varies harmonically with the angle between them
HarmonicBondForce	This class implements an interaction between pairs of particles that varies harmonically with the distance between them
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
RBTorsionForce	This class implements an interaction between groups of four particles that varies with the torsion angle between them according to the Ryckaert-Bellemans potential
Integrator	An Integrator defines a method for simulating a System by integrating the equations of motion
BrownianIntegrator	This is an Integrator which simulates a System using Brownian dynamics
CustomIntegrator	This is an Integrator that can be used to implemented arbitrary, user defined integration algorithms
LangevinIntegrator	This is an Integrator which simulates a System using Langevin dynamics
RPMDIntegrator	This is an Integrator which simulates a System using ring polymer molecular dynamics (RPMD)
VariableLangevinIntegrator	This is an error contolled, variable time step Integrator that simulates a System using Langevin dynamics
VariableVerletIntegrator	This is an error contolled, variable time step Integrator that simulates a System using the leap-frog Verlet algorithm
VerletIntegrator	This is an Integrator which simulates a System using the leap-frog Verlet algorithm
LocalEnergyMinimizer	Given a Context, this class searches for a new set of particle positions that represent a local minimum of the potential energy
object
AmberInpcrdFile	AmberInpcrdFile parses an AMBER inpcrd file and loads the data stored in it
AmberPrmtopFile	AmberPrmtopFile parses an AMBER prmtop file and constructs a Topology and (optionally) an OpenMM System from it
DCDFile	DCDFile provides methods for creating DCD files
DCDReporter	DCDReporter outputs a series of frames from a Simulation to a DCD file
ForceField	A ForceField constructs OpenMM System objects based on a Topology
GromacsGroFile	GromacsGroFile parses a Gromacs .gro file and constructs a set of atom positions from it
GromacsTopFile	GromacsTopFile parses a Gromacs top file and constructs a Topology and (optionally) an OpenMM System from it
Modeller	Modeller provides tools for editing molecular models, such as adding water or missing hydrogens
PDBFile	PDBFile parses a Protein Data Bank (PDB) file and constructs a Topology and a set of atom positions from it
PDBReporter	PDBReporter outputs a series of frames from a Simulation to a PDB file
Simulation	Simulation provides a simplified API for running simulations with OpenMM and reporting results
StateDataReporter	StateDataReporter outputs information about a simulation, such as energy and temperature, to a file
Atom	An Atom object represents a residue within a Topology
Chain	A Chain object represents a chain within a Topology
Residue	A Residue object represents a residue within a Topology
Topology	Topology stores the topological information about a system
OpenMMException	This class is used for all exceptions thrown by OpenMM
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
tuple
Vec3	Vec3 is a 3-element tuple that supports many math operations
VirtualSite	A VirtualSite describes the rules for computing a particle's position based on other particles
OutOfPlaneSite	This is a VirtualSite that computes the particle location based on three other particles' locations
ThreeParticleAverageSite	This is a VirtualSite that computes the particle location as a weighted average of three other particle's locations
TwoParticleAverageSite	This is a VirtualSite that computes the particle location as a weighted average of two other particle's locations
XmlSerializer	XmlSerializer is used for serializing objects as XML, and for reconstructing them again