[gmx-users] deformation in simulation

Amir Zeb zebamir85 at gmail.com
Thu Feb 23 07:56:19 CET 2017

I don't know very well about the problem you have.
Did you minimize your system well converged?
You may go for conjugate minimization

All the best!

On Wed, Feb 22, 2017 at 10:53 PM, RAHUL SURESH <drrahulsuresh at gmail.com>

> Simulating a protein with 100residues for 200ns doesn't show any stability.
> There are some deformation(long-bonds) in the structure throughout the
> process. Why is that so? Can I choose any stable structure in between these
> 200ns, for example say 176ns. Or is there any other way to make them work
> good.I need your valuable suggestions
> --
> *Regards,*
> *Rahul Suresh*
> *Research Scholar*
> *Bharathiar University*
> *Coimbatore*
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