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

[Bratin Kumar Das]

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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