[gmx-users] energygrp-excl with wall setting
Ahmed Mohammed
ahmedmmedm at gmail.com
Wed Jan 2 03:37:56 CET 2019
Happy new year to all
I'm simulation a mixture of water and hydrocarbons on a slab and I'm using
wall setting (nwall=2).
I would exclude the interactions between water and the wall. I used
energygrp-excl = water wall0 water wall1
But I see the interactions between the walls and water before and after
defining energygrp-excl are the same before.
Any ideas how to stop the interactions between the walls and water
molecules?
Thank you
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