Package ffx.openmm
package ffx.openmm
-
ClassDescriptionThis class uses the Andersen method to maintain constant temperature.Bond Array.Custom Centroid Bond Force.Center of Mass Motion Remover.A Context stores the complete state of a simulation.Custom Angle Force.Custom Bond Force.Custom Compound Bond Force.Custom External Force.Custom GB Force.Custom Integrator.Custom Non-bonded Force.DoubleArray wrapper.DoubleArray3D.Force objects apply forces to the particles in a System, or alter their behavior in other ways.Harmonic Bond Force.Int Array.An Integrator defines a method for simulating a System by integrating the equations of motion.Int Set.Langevin Integrator.Monte Carlo Barostat.Nonbonded Force.Periodic Torsion Force.A Platform defines an implementation of all the kernels needed to perform some calculation.A State object records a snapshot of the current state of a simulation at a point in time.String Array.This class represents a molecular system.Vec3 Array.Verlet Integrator.