[gmx-users] Make index command in gromacs

Alessandra Villa alessandra.villa.biosim at gmail.com
Wed Jan 8 10:38:41 CET 2020


Hi,

Maybe you could  use gmx select to generate your index file
http://manual.gromacs.org/documentation/current/onlinehelp/gmx-select.html?highlight=select

Best regards
Alessandra

On Tue, Jan 7, 2020 at 11:39 PM Shan Jayasinghe <
shanjayasinghe2011 at gmail.com> 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.
> --
> Best Regards
> Shan Jayasinghe
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