[gmx-users] select atoms of a particular zone, through trajectory

Mahboobe Sadr sadr.mahboobe1989 at gmail.com
Fri Apr 8 13:59:34 CEST 2016

Dear users,

I am trying to find out which water molecules are interacting with the
ligand, in a protein-ligand simulated system and through the simulation
time. Is there any way to find these molecules and extract a trajectory
which includes these molecules plus my protein-ligand complex?

best regards,

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