[AMBER] Query regarding Temperature Replica Exchange Molecular Dynamics?

From: Munazzah Fatima Ansari via AMBER <amber.ambermd.org>
Date: Mon, 12 Feb 2024 18:17:03 +0530

Hello Developers,

What happens in the simulation if we have replicas at different
temperatures? Furthermore, one replica in this set never returns to its
initial temperature. How we will get the probability distribution at
that temperature? Is this simulation correct or not? Am I making a
mistake in some way with this?

PhD Student
Munazzah Fatima Ansari

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Received on Mon Feb 12 2024 - 05:00:02 PST
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