Re: [AMBER] using bridgebyatom keyword

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Sat, 7 Nov 2020 07:54:43 -0500

Hi,

It's just a keyword that tells 'hbond' to print the atom number of the
bridging atom in the bridging residue instead of the residue number of
the bridging residue in the 'Bridge' column of the 'out' file. Try it
on a small (~10 frame) test run.

-Dan

On Thu, Nov 5, 2020 at 1:23 PM Samuel Holmes <holmess.mymail.vcu.edu> wrote:
>
> Hey there,
>
> I'm trying to understand the syntax for the bridgebyatom keyword with the
> hbond command. Could I see it used in an example?
>
> Thanks,
>
> Sam
>
> --
> Samuel Holmes
> Graduate Student of Medicinal Chemistry
> VCU School of Pharmacy, Richmond, VA
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Received on Sat Nov 07 2020 - 05:00:02 PST
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