[gmx-users] Making group of different atoms

Dallas Warren dallas.warren at monash.edu
Wed Jul 11 06:31:48 CEST 2018


Using gmx make_ndx -

0 & a 1566 1567 1569 1571 1574 1579

The script has some help on how each of the options work too, so
please read those.

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a nail.

On Wed, 11 Jul 2018 at 03:09, 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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