From: Gianluca Interlandi (gianluca_at_u.washington.edu)
Date: Wed May 30 2012 - 23:27:20 CDT
You have to path the disulfide bond when you create the PSF file.
See this for example:
http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/4996.html
Gianluca
On Thu, 31 May 2012, Kapil jain wrote:
> Hi all,
> I am running md simulation on homology model of a membrane protein, following the membrane
> protein tutorial. During the minimization and equilibriation with protein constrained, the
> disulfide bond breaks. What can be the possible cause for this or does it happens naturally
> during the minimization? Are there any means to preserve disulfide bond?
>
> Regards
>
> Kapil Jain
>
>
>
>
>
-----------------------------------------------------
Gianluca Interlandi, PhD gianluca_at_u.washington.edu
+1 (206) 685 4435
http://artemide.bioeng.washington.edu/
Research Scientist at the Department of Bioengineering
at the University of Washington, Seattle WA U.S.A.
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