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. 2018 Oct 25;15(2):837–856. doi: 10.1021/acs.jctc.8b00627

Chart 2. Custom Path Mover and Move Strategy for Repex-Shoot-Repex Movea.

Chart 2

a The make_movers method is the primary point: first, the replica exchange movers and shooting movers are extracted from the existing move scheme, removing them if replace is true. Then these movers are combined into a sequence in the mover_list, representing the sequential order in which they should run doing the combined move. That list is then input to create the sequential mover.