If one replica stays at a temperature,it is likely that the temperature
spacing needs to be optimized. This can be a challenge and I suggest
reading the T-REMD literature. We don't really know enough about your
results to make specific suggestions.
On Mon, Feb 12, 2024, 7:47 AM Munazzah Fatima Ansari via AMBER <
amber.ambermd.org> wrote:
> 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 - 06:00:02 PST
