Uses of Package
ffx.potential.openmm
Package
Description
The Optimize package contains local and global optimization algorithms using pure Java and OpenMM
code paths.
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ClassDescriptionOpenMM Custom MTS Integrator.OpenMM Custom MTS Langevin Integrator.Define a fixed charge non-bonded force.Creates and manage an OpenMM Context.Compute the potential energy and derivatives using OpenMM.Retrieve state information from an OpenMM Simulation.Create and manage an OpenMM System.