Re: [AMBER] protein domain "broken"

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Fri, 6 Nov 2020 03:03:02 -0800

Normally bonds that seem to disappear were not made in the first place.

Bill


On 11/6/20 2:45 AM, MYRIAN TORRES RICO wrote:
> Dear all,
>
> I wanted to take a query about some results that I have obtained in my
> molecular dynamics.
> I have launched a dynamic of a protein-ligand complex (the ligand is a
> tretasaccharide), and of the two domains that the pdb of my protein
> initially presents, the disulfide bonds that form one of them ends up
> breaking ... But the energy data endings are the same as in any other
> dynamic that has been launched under the same conditions and with the
> same complex ...
> Has someone this or something similar happened to him?
> any ideas?
>
> Thanks in advance,
>
> Myriam
>
>
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Received on Fri Nov 06 2020 - 03:30:02 PST
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