Uses of Interface
ffx.algorithms.mc.MCMove
Package
Description
The MC package implements a variety of Monte Carlo moves for optimization and simulation
algorithms.
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Uses of MCMove in ffx.algorithms.mc
Modifier and TypeClassDescriptionclass
Define an MC move to update lambda.class
Use MD as a coordinate based MC move.class
Represents a random chi[0] spin of the target residue.class
Represents a Boltzmann-drawn spin of all residue torsions for use with RosenbluthCBMC (Configurational-Bias Monte Carlo).Modifier and TypeMethodDescriptionboolean
Calculates the current system energy and performs an MCMove.boolean
Performs an MCMove.boolean
Calculates the current system energy and performs an MCMove.boolean
Performs an MCMove.Modifier and TypeMethodDescriptionboolean
Calculates the current system energy and performs a series of moves sequentially as a single hybrid step.boolean
Performs a series of moves sequentially, as a single hybrid step.boolean
Calculates the current system energy and performs a series of moves sequentially as a single hybrid step.boolean
Performs a series of moves sequentially, as a single hybrid step. -
Uses of MCMove in ffx.algorithms.optimize.manybody
Modifier and TypeClassDescriptionclass
This implements single-rotamer changes in the framework of the rotamer energy matrices.