Re: [AMBER] Heating only a region of the system

From: David A Case <david.case.rutgers.edu>
Date: Fri, 7 Jan 2022 12:20:29 -0500

On Thu, Jan 06, 2022, Liao wrote:
>
>Is it easily possible to selectively heat only part of the system, like
>certain residues of the solute?

No: Amber thermostats don't offer this option.

....dac


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Received on Fri Jan 07 2022 - 09:30:02 PST
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