[gmx-users] Index group for Backbone/C-alpha of specific stretch of residues

[Navneet Kumar]

Thank You, sir!

What If I want to extend the residues like choose c-alpha of 150-200 &
60-70 in a single index group ?


On Wed, Jan 8, 2020 at 6:21 PM Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 1/8/20 4:49 AM, Christian Blau wrote:
> > Hi Navnett,
> >
> >
> > gmx select will be your friend.
> >
> >
> > At the bottom of
> >
> >
> http://manual.gromacs.org/documentation/current/onlinehelp/selections.html
> >
> >
> > you'll find some example commands. Something along the lines of
> >
> >   gmx select -select 'name CA and resid > 149 and resid < 211'
> >
> > should work.
> >
> >
> > It's a very powerful syntax and I figured for me it was very much
> > worth the effort reading through that documentation.
> >
>
> It's also simple in make_ndx:
>
> 3 & r 150-210
>
> Either way works. Whatever you find easier to use.
>
> -Justin
>
> --
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>
> Justin A. Lemkul, Ph.D.
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*NAVNEET KUMAR*
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