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

[sharada]

Do you intend to protonate a pair of cysteins and not make a SS bond?  
Then pdb2gmx -ss should do the job. 
Sharada
-- Original Message --
From: sharada  <sharada at ccmb.res.in>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Date: Fri, 6 Mar 2009 12:28:54 +0530 (IST)
Subject: Re:  Re: [gmx-users] How to break a disulfide bond ???
If you donot make it, it is as good as breaking it...
Sharada
-- Original Message --
From: Venkat Reddy <venkat4bt at gmail.com>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Date: Fri, 6 Mar 2009 11:31:57 +0530
Subject: Re: [gmx-users] How to break a disulfide bond ???
Hai !
with "pdb2gmx -ss", i can select the ss bonds. But after that, how to break a particular ss bond (not all).
Thank you
On Fri, Mar 6, 2009 at 11:01 AM, sharada <<sharada at ccmb.res.in>sharada at ccmb.res.in> wrote:
pdb2gmx -h
sharada
 
-- Original Message --
From: Venkat Reddy <<venkat4bt at gmail.com>venkat4bt at gmail.com>
To: Discussion list for GROMACS users <<gmx-users at gromacs.org>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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