[gmx-users] How to break a disulfide bond ???

[Justin A. Lemkul]

Venkat Reddy wrote:
> Hai !
>  
> with "pdb2gmx -ss", i can select the ss bonds. But after that, how to 
> break a particular ss bond (not all).

You cannot break or re-form bonds under classical mechanics (standard MD).

-Justin

>      Thank you
>  
> 
> On Fri, Mar 6, 2009 at 11:01 AM, sharada <sharada at ccmb.res.in 
> <mailto:sharada at ccmb.res.in>> wrote:
> 
> 
>     pdb2gmx -h 
> 
>     sharada
> 
> 
>     */-- Original Message --/*
>     From: Venkat Reddy <venkat4bt at gmail.com <mailto:venkat4bt at gmail.com>>
>     To: Discussion list for GROMACS users <gmx-users at gromacs.org
>     <mailto:gmx-users at gromacs.org>>
>     Date: Fri, 6 Mar 2009 10:50:24 +0530
>     Subject: [gmx-users] How to break a disulfide bond ???
> 
>     Hai Every one ! Is it possible to break a disulfide bridge using
>     gromacs ?????If so,Can anybody suggest me, how to do it???
> 
>     Thanks for ur valuable time
> 
>     With best wishes
>     Venkat Reddy Chirasani
>     M.Tech Bioinformatics
>     UNIVERSITY OF HYDERABAD
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> 
> 
> 
> -- 
> Venkat Reddy Chirasani
> M.Tech Bioinformatics
> UNIVERSITY OF HYDERABAD
> 
> 
> ------------------------------------------------------------------------
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-- 
========================================

Justin A. Lemkul
Graduate Research Assistant
ICTAS Doctoral Scholar
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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