Nanotube Simulation

From: Miro Hodak (
Date: Thu Apr 10 2014 - 18:02:56 CDT

Dear all,

I would like to run a NAMD calculation of a nanotube interacting with a
via non-bonded interactions using CHARMM FF. This looks quite similar to
what is
done in a tutorial on water flow through nanotubes. However, that tutorial
already provides a prebuilt PSF file for the nanotube used there. I want to
with a different nanotube (20,0) and looking at the tutorial and other
I cannot figure out how to create a PSF file for an arbitrary nanotube I
may want to work with.

Can anybody help?

Thank you,

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