[gmx-users] Making group of different atoms

Chetan Puri chetanpuris at gmail.com
Thu Jul 12 17:25:00 CEST 2018


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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