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

Justin Lemkul jalemkul at vt.edu
Tue Apr 9 14:34:56 CEST 2013

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 A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540)


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