[gmx-users] gmx select
mark.j.abraham at gmail.com
Wed Jul 12 23:41:56 CEST 2017
What are the residue names in your coordinate file? Glyci probably doesn't
On Wed, Jul 12, 2017 at 10:36 PM Pandya, Akash <akash.pandya.15 at ucl.ac.uk>
> Hi all,
> I am trying to select all the glycine molecules with 0.5nm of my protein.
> I tried both of these commands I got from the gromacs website:
> gmx select -f output.gro -select "Close to protein" resname Glyci and
> within 0.5 of group "Protein"' -ofpdb
> gmx select -f output.xtc -s output.tpr (my converted input file) -select
> "Close to protein" resname Glyci and within 0.5 of group "Protein"' -ofpdb
> Nothing comes up when I enter them. Please could someone help me with this?
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