[gmx-users] How to create a group for a set of atoms with make_ndx

[Sun Yeping]

got it.

Thank you all for your help.

On Fri, Aug 16, 2019 at 12:40 PM Bratin Kumar Das <
177cy500.bratin at nitk.edu.in> wrote:

> Hi..
> The command is given below
> gmx make_ndx -f *.gro -o *.ndx
> You need to see inside the gro file what are the residue index
> corresponding to the particular residue
> Next...When atom selection will appear you select the residues like
> r66|r65|...So on upto the last residue...And you can name the group as you
> wish
>
> On Thu 15 Aug, 2019, 9:52 PM Dhaniram Mahato, <bioinfojsr at gmail.com>
> wrote:
>
> > Index file is always in a serial no. You can check the residue serial no.
> > by opening the pdb in text format.
> >
> > "gmx make_ndx " is the command to use to see all indices and then choose
> > your residues accordingly.
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