[gmx-users] water molecules (interfacial)

atila petrosian atila.petrosian at gmail.com
Sat Nov 13 11:12:56 CET 2010

Dear all

my system includes protein, ligand and water.

I want to obtain number of water molecules (interfacial)  to be within 2.4 A
distance from both the protein and the ligand during simulation. also, exact
numeration of each water being in interface between protein and ligand.
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