Replica run of Constant pH MD

From: Diship Srivastava (
Date: Tue Sep 28 2021 - 09:58:32 CDT

I have some doubt regarding the replica run of constant pH MD. While
running the replica run does an exchange between two systems with pH closer
to each other occur similar to replica exchange method? If yes, when does
this exchange occur and how can one track the systems to make sure that the
proper pH sampling is done?

Thanks in advance

Diship Srivastava
Department of Chemistry
IIT(ISM) - Dhanbad

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