Uses of Class
ffx.potential.openmm.OpenMMSystem
Packages that use OpenMMSystem
Package
Description
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.
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Uses of OpenMMSystem in ffx.potential.openmm
Subclasses of OpenMMSystem in ffx.potential.openmmModifier and TypeClassDescriptionclassCreate and manage an OpenMM Dual-Topology System.Methods in ffx.potential.openmm that return OpenMMSystemModifier and TypeMethodDescriptionOpenMMDualTopologyEnergy.getSystem()Get a reference to the System instance.OpenMMEnergy.getSystem()Get a reference to the System instance.OpenMMPotential.getSystem()Get a reference to the System instance.Methods in ffx.potential.openmm with parameters of type OpenMMSystemModifier and TypeMethodDescriptionstatic CustomMTSIntegratorOpenMMIntegrator.createCustomMTSIntegrator(double dt, OpenMMSystem openMMSystem) Create a Custom MTS Integrator.static CustomMTSLangevinIntegratorOpenMMIntegrator.createCustomMTSLangevinIntegrator(double dt, double temperature, OpenMMSystem openMMSystem) Create a Custom MTS Langevin integrator.static IntegratorOpenMMIntegrator.createIntegrator(String name, double timeStep, double temperature, OpenMMSystem openMMSystem) Create a integrator.Constructors in ffx.potential.openmm with parameters of type OpenMMSystemModifierConstructorDescriptionOpenMMContext(Platform platform, OpenMMSystem openMMSystem, Atom[] atoms) Create an OpenMM Context for a single topology OpenMM system.