[AMBER] hbond criteria

From: Umesh Roy via AMBER <amber.ambermd.org>
Date: Mon, 26 Dec 2022 10:50:27 +0530

Dear Developers,
        I have a question regarding the hbond criteria, the default one
with hydrogen bond angle cut off > 135 degree and hydrogen-donor-atom to
hydrogen acceptor atom is less than 3 angstrom: On what basis this
criterion is set? Of course, we can change the criterion according to our
needs. Is there any justification for this?

Can you please provide any reference to the above issue?


Thank you in advance.


Best regards,


Umesh Roy
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Received on Sun Dec 25 2022 - 21:30:02 PST
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