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

Justin Lemkul jalemkul at vt.edu
Sun Jan 27 13:35:43 CET 2013

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 A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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