Uses of Class
ffx.algorithms.cli.OSTOptions
Packages that use OSTOptions
Package
Description
The Thermodynamics package computes free energy differences using Orthogonal Space Tempering
(OST) sampling via pure Java or OpenMM (via Monte Carlo OST).
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Uses of OSTOptions in ffx.algorithms.commands
Fields in ffx.algorithms.commands declared as OSTOptions -
Uses of OSTOptions in ffx.algorithms.thermodynamics
Methods in ffx.algorithms.thermodynamics with parameters of type OSTOptionsModifier and TypeMethodDescriptionstatic RepExOSTRepExOST.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 RepExOSTRepExOST.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.