[gmx-users] Carbon Nanotube and Periodic Boundary Conditions

Bob Johnson robertjo at physics.upenn.edu
Thu Jul 21 23:39:06 CEST 2005

I am currently building a system that contains carbon nanotubes and single
stranded DNA. I am studying the interactions between them. I would like to
create an array of infinitely long nanotubes using 3D periodic boundary
conditions. I'm starting out with a tube about 7.5nm long. How would I set up
the system such that the carbons at the ends of the tube are bonded to those of
the adjacent tube image?
Bob Johnson

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