[gmx-users] Increase of 5-helix count
mark.j.abraham at gmail.com
Wed Jun 13 14:59:40 CEST 2018
No single trajectory constitutes an experiment that should be expected to
be replicable. You might have observed where the sun appeares to be at dawn
today, but they observed where it was on November 7, 2014 and neither of
those observations tells you anything about the range of positions the sun
could actually appear to rise at, unless you have seen the sun rise for a
couple of years.
On Wed, Jun 13, 2018, 08:25 Sundari <sundi6170 at gmail.com> wrote:
> Kindly look at my query..
> Thank you!
> On Mon, Jun 11, 2018 at 5:39 PM, Sundari <sundi6170 at 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
> > 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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