narupatools.openmm.dynamics

Simulation dynamics implementation using OpenMM. Currently does not support iMD.

Classes

OpenMMDynamics(simulation, playback_interval)	Dynamics based on an OpenMM simulation.
OpenMMIMDFeature(dynamics)	Controls interactions applied to an OpenMM simulation.
OpenMMInteraction(*, dynamics, key, …)	IMD Interaction applied to an OpenMM simulation.