Kindly look at my query..

Thank you!

On Mon, Jun 11, 2018 at 5:39 PM, Sundari <sundi6...@gmail.com> wrote:

> Dear gromacs users,
>
> I am running a simulation of three alpha helical peptides with a carbon
> nano tube in a simulation box. Actually I am following a paper and want to
> reproduce the results.
>
> In my simulation every time there is a sudden increase of 5-helix count,
> means most of the alpha helix converted into 5-helix.
>
> I am using gromacs version 5.1.2.  and paper used gromacs version 4. So I
> am confuse is this difference I am getting because of Gromacs version or
>  something else?
> And  5-helix is not counted in total secondary structure count.
> (scount.xvg)
> please suggest something.
>
>
> Thank you in advance..
>
>
>
>
>
>
>
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