Package ffx.openmm

package ffx.openmm

Related Packages

Package	Description
ffx	Force Field X implements fixed charge and polarizable atomic multipole molecular mechanics potentials, local and global optimization, molecular dynamics, free energy differences, etc, with special support for crystal space groups.
ffx.openmm.amoeba

Classes

Class	Description
AndersenThermostat	This class uses the Andersen method to maintain constant temperature.
BondArray	Bonds are specified by pairs of integers (the atom indices).
CMMotionRemover	Center of Mass Motion Remover.
Context	A Context stores the complete state of a simulation.
CustomAngleForce	Custom Angle Force.
CustomBondForce	Custom Bond Force.
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	Custom Compound Bond Force.
CustomExternalForce	Custom External Force.
CustomGBForce	Custom GB Force.
CustomIntegrator	Custom Integrator.
CustomNonbondedForce	Custom Non-bonded Force.
DoubleArray	DoubleArray wrapper.
DoubleArray3D	DoubleArray3D.
Force	Force objects apply forces to the particles in a System, or alter their behavior in other ways.
HarmonicBondForce	Harmonic Bond Force.
IntArray	Int Array.
Integrator	An Integrator defines a method for simulating a System by integrating the equations of motion.
IntSet	Int Set.
LangevinIntegrator	This is an Integrator which simulates a System using Langevin dynamics.
LangevinMiddleIntegrator	Langevin Integrator.
MinimizationReporter	A MinimizationReporter can be passed to LocalEnergyMinimizer::minimize() to provide periodic information on the progress of minimization, and to give you the chance to stop minimization early.
MonteCarloBarostat	Monte Carlo Barostat.
NonbondedForce	Nonbonded Force.
PeriodicTorsionForce	Periodic Torsion Force.
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.
Vec3Array	Vec3 Array.
VerletIntegrator	Verlet Integrator.