[gmx-users] Make index command in gromacs

[Shan Jayasinghe]

Dear Gromacs Users,

Thank you very much for your valuable answers.

On Wed, Jan 8, 2020 at 8:40 PM Christian Blau <blau at kth.se> wrote:

> Hi Shan,
>
>
> gmx select gives you many more options to do complex arithmetic with
> selections that might help you here.
>
>
> You can try using
>
> gmx select -select "SELECTION STING"
>
> you'll find lots of selection string examples at the bottom in here:
>
> http://manual.gromacs.org/documentation/current/onlinehelp/selections.html
>
>
>
> Best,
>
> Christian
>
>
> On 2020-01-07 23:33, Shan Jayasinghe wrote:
> > Dear Gromacs Users,
> >
> > In my simulations, I have different sizes of water droplets.  I need
> > indexes of water molecules in each droplet separately. I am trying to
> make
> > the  index file with gmx make_ndx, but I couldn't do it. Appreciate your
> > help regarding this matter.
> >
> > Thank you.
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-- 
Best Regards
Shan Jayasinghe