[gmx-users] gmx select

[Pandya, Akash]

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?


Akash