Uses of Class
ffx.openmm.Integrator
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Uses of Integrator in ffx.openmm
Modifier and TypeClassDescriptionclass
Custom Integrator.class
This is an Integrator which simulates a System using Langevin dynamics.class
Langevin Integrator.class
Verlet Integrator.Modifier and TypeMethodDescriptionvoid
Context.updateContext
(System system, Integrator integrator, Platform platform) Update the context.ModifierConstructorDescriptionContext
(System system, Integrator integrator, Platform platform) Constructor. -
Uses of Integrator in ffx.potential.openmm
Modifier and TypeClassDescriptionclass
OpenMM Custom MTS Integrator.class
OpenMM Custom MTS Langevin Integrator.Modifier and TypeMethodDescriptionstatic Integrator
OpenMMIntegrator.createIntegrator
(String name, double timeStep, double temperature, OpenMMSystem openMMSystem) Create a integrator.