[gmx-users] Simulating a substrate

Bob Johnson robertjo at physics.upenn.edu
Fri Apr 21 20:25:48 CEST 2006

Hello everyone,
I would like to simulate a carbon nanotube on a substrate. My idea is to make a
2D monolayer of closely spaced atoms that make an impenetrable wall. I will
then restrain the positions of these atoms. I will then place the nanotube on
top of it. However, I'm not quite sure what LJ parameters I should use for the
substrate. Any ideas?
Bob Johnson

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