Expand description

Entropic sampling using a replica exchange approach

The entropic sampling itself is identical to the one from this module with the difference being, that there will be replica exchanges between neighboring intervals (and if you have multiple walker in an interval, they can exchange states as well)

This is intended to improve the sampling of difficult “energy landscapes”

Structs

Walker for Replica exchange entropic sampling

Struct used for entropic sampling with replica exchanges

Functions

Merge probability density of multiple rees simulations

Merge probability density of multiple rees simulations

Merge probability density of multiple rees simulations

Merge probability density of multiple rees simulations

Merge probability density of multiple rees simulations

Merge probability density of multiple rees simulations

Merge probability density of multiple rees simulations

Type Definitions