[gmx-users] Index file regarding

[Shreyas Kaptan]

You need to combine the C-alpha default group with the selected category
with the & operator.

On Mon, May 7, 2018 at 3:31 PM RAHUL SURESH <drrahulsuresh at gmail.com> wrote:

> Hi, I have created the index file. Now I want to calculate the rmsd of the
> C-alpha atoms of the index group alone.. So what group should i select?
>
> On Mon, May 7, 2018 at 6:50 PM, RAHUL SURESH <drrahulsuresh at gmail.com>
> wrote:
>
> > thank you.
> >
> > On Mon, May 7, 2018 at 3:39 PM, Shreyas Kaptan <shreyaskaptan at gmail.com>
> > wrote:
> >
> >> It's 'r37-70 | r 120-167 | ...'  so on and so forth.
> >>
> >> On Mon, May 7, 2018 at 12:06 PM RAHUL SURESH <drrahulsuresh at gmail.com>
> >> wrote:
> >>
> >> > Dear all,
> >> >
> >> > My protein structure has 400 residues of which I want to calculate
> RMSD
> >> of
> >> > particular 200 residues (approx) and they are not continuous. For
> >> example,
> >> > from 34-70; 120-167; 180-210;.... For this how can I create an index
> >> file?
> >> >
> >> > Thank you
> >> >
> >> > --
> >> > *Regards,*
> >> > *Rahul Suresh*
> >> > *Research Scholar*
> >> > *Bharathiar University*
> >> > *Coimbatore*
> >> > --
> >> > Gromacs Users mailing list
> >> >
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> >> > posting!
> >> >
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> >> >
> >>
> >>
> >> --
> >> Shreyas Sanjay Kaptan
> >> --
> >> Gromacs Users mailing list
> >>
> >> * Please search the archive at http://www.gromacs.org/Support
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> >>
> >
> >
> >
> > --
> > *Regards,*
> > *Rahul Suresh*
> > *Research Scholar*
> > *Bharathiar University*
> > *Coimbatore*
> >
>
>
>
> --
> *Regards,*
> *Rahul Suresh*
> *Research Scholar*
> *Bharathiar University*
> *Coimbatore*
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
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>


-- 
Shreyas Sanjay Kaptan