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

2013-04-09 Thread aixintiankong 
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.
please help me ,thank you very much!
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Re: [gmx-users] how to split the disulfide bonds in CYSH?

2013-04-09 Thread Justin Lemkul 
On Tue, Apr 9, 2013 at 3:18 AM, aixintiankong aixintiank...@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

-- 



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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