[gmx-users] Re: Trajectory and ED - (not old question again)

Kavyashree M hmkvsri at gmail.com
Thu Jun 23 08:12:42 CEST 2011


Dear Users,

Are there any tool for superposing the trajectory
structures form MD. Please correct me if I am asking
any illogical question.
My previous question was regarding the trjconv output
pdb trajectory, is there a way to superpose all these
structures?

Thank you
With regards
M. Kavyashree

On Wed, Jun 22, 2011 at 10:52 PM, Kavyashree M <hmkvsri at gmail.com> wrote:

> Dear users,
>
>    I did ED analysis for one of the trajectories,
> when I visualised the trajectory along the first
> five eigen vectors using g_nmtraj it does not
> show much movements. It was a simulation of
> 100 ns.
> My doubt is when I visualise the trajectory in
> pymol calculated just after simulation I could
> observe large movements in certain regions.
> same regions do have movements in ED
> trajectory also but not as large as this.
> Why is this?
>
> Thank you
> With Regards
> M. Kavyashree
>
>
>
>
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