Re: [AMBER] How to change a Histidine protonation state

From: Dr. Anselm Horn <>
Date: Tue, 9 Nov 2021 11:39:23 +0100


please have a look into the comprehensive Amber21 manual (p. 216,
section 13.2 "residue naming conventions", subsection "Histidine"), also
available online at the Amber webpage.

Hope this answers your question.



Am 09.11.2021 um 11:05 schrieb Sadaf Rani:
> Dear Amber users
> I am trying to simulate a protein for which I want to change the
> protonation state of a Histidine residue in the binding site of the
> protein.
> Could you please give your suggestion on how should I do that? Do I need to
> make a library for it?
> I am looking forward to hearing from you.
> Thanks in advance.
> Sadaf
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Received on Tue Nov 09 2021 - 03:00:02 PST
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