meld.remd

Module for running replica exchange

The following classes are most useful to users:

• NearestNeighborLadder defnes a ladder with exchanges between nearest neighbours.

• LeaderReplicaExchangeRunner coordinates a replica exchange run

• The following are useful for replica exchange adaptation

  • AdaptationPolicy

  • NullAdaptor

  • EqualAcceptanceAdaptor

  • SwitchingCompositeAdaptor

Modules

meld.remd.adaptor
meld.remd.ladder	Module to handle replica exchange swaps
meld.remd.launch	A module for launching replica exchange runs
meld.remd.leader	Module for replica exchange leader
meld.remd.permute
meld.remd.worker	A module for replica exchange workers