[gmx-users] Making group of different atoms

Quyen V. Vu vuqv.phys at gmail.com
Wed Jul 11 18:59:25 CEST 2018


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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