Uses of Class
ffx.algorithms.thermodynamics.RepExOST

Packages that use RepExOST

Package	Description
ffx.algorithms.thermodynamics	The Thermodynamics package computes free energy differences using Orthogonal Space Tempering (OST) sampling via pure Java or OpenMM (via Monte Carlo OST).

Uses of RepExOST in ffx.algorithms.thermodynamics

Methods in ffx.algorithms.thermodynamics that return RepExOST

Modifier and Type	Method	Description
static RepExOST	RepExOST.repexMC(OrthogonalSpaceTempering orthogonalSpaceTempering, MonteCarloOST monteCarloOST, DynamicsOptions dynamicsOptions, OSTOptions ostOptions, org.apache.commons.configuration2.CompositeConfiguration compositeConfiguration, String fileType, boolean twoStep, double repexInterval)	Construct a RepExOST for Monte Carlo orthogonal space tempering.
static RepExOST	RepExOST.repexMD(OrthogonalSpaceTempering orthogonalSpaceTempering, MolecularDynamics molecularDynamics, DynamicsOptions dynamicsOptions, OSTOptions ostOptions, org.apache.commons.configuration2.CompositeConfiguration compositeConfiguration, String fileType, double repexInterval)	Construct a RepExOST for Molecular Dynamics orthogonal space tempering.