[gmx-users] how to split the disulfide bonds in CYSH?

[Justin Lemkul]

On Tue, Apr 9, 2013 at 3:18 AM, aixintiankong <aixintiankong at 126.com> wrote:

> Dear,
> In my system ,there are many disulfide bonds in my  protein.
> i want to split these disulfide bonds to CYSH.
> I use these command,  pdb2gmx -ignh -f 1AKI.pdb -o 110.pdb -p 110.top
> -water spce -ss  ,but i get the CYS2.
>

The above command produces CYSH for me.

-Justin

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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540)
231-9080http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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