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. Author manuscript; available in PMC: 2022 Feb 24.
Published in final edited form as: Chem Rev. 2021 Jan 11;121(4):2292–2324. doi: 10.1021/acs.chemrev.0c01087

Figure 3.

Figure 3.

Schematic diagram of the BE-META algorithm.173 Each of the replicas in BE-META (shown in different colors) is a metadynamics (MetaD) simulation biased along a different collective variable (CV). Unlike in REMD, exchanges in BE-META can happen between any two replicas. and are not limited to just the neighboring replicas.