[gmx-users] protein-ligand umbrella sampling

Nikhil Maroli scinikhil at gmail.com
Tue Nov 22 14:35:57 CET 2016

Select residue as per your index file or you can select atoms by 'a' to
create group of atoms in 'JZ4' . here your residue is 164 JZ4.
So r 164 might work. i used to select atoms.

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