[gmx-users] Making group of different atoms

[Shrinath Kumar]

In the index editor of make_ndx does "a 1566 1567 1569 1571 1574 1579" not
work? Alternatively, you can just manually make the index file as Sohaib
suggested. An index group is just:

[ name_of_group ]
;atomnr of atoms that make up the group eg.
1566 1567 1569 1571 1574 1579 etc..

On 12 July 2018 at 16:24, Chetan Puri <chetanpuris at gmail.com> wrote:

> Yes, I have tried but I am having trouble in making a group for atoms with
> different numbers.
>
> On Wed, 11 Jul 2018, 22:29 Quyen V. Vu, <vuqv.phys at gmail.com> wrote:
>
> > Have you try make_ndx tool of Gromacs?
> >
> > On Wed, Jul 11, 2018, 00:09 Chetan Puri <chetanpuris at gmail.com> wrote:
> >
> > > Can someone guide me in how to make a group for atoms number 1566,
> 1567,
> > > 1569,1571,1574&1579, which all belong to a tyrosine residue number 128
> of
> > > protein.
> > >
> > > Since I need to measure distance between two groups (ligand and
> protein)
> > >
> > >
> > > Regards,
> > > Chetan
> > > --
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