[gmx-users] Fwd: REgarding for the disulphide bond

[Justin Lemkul]

On 1/27/13 3:39 AM, Sathish Kumar wrote:
> ---------- Forwarded message ----------
> From: Sathish Kumar <sathishk238 at gmail.com>
> Date: Sun, Jan 27, 2013 at 2:02 PM
> Subject: REgarding for the disulphide bond
> To: gmx-users at gromacs.org
>
>
>
> Sir,
>          I am sathish kumar working as junior research fellow.I have taken
> pdb file from protein data bank.I need to break the disulphide bond and I
> wnat to make it as SH.what I have to do please suggest me it will help to
> my research.

Choose whatever state you want for the cysteine residues with pdb2gmx -ss.

-Justin

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

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