From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Fri Apr 11 2014 - 03:36:44 CDT
On Thu, Apr 10, 2014 at 7:02 PM, Miro Hodak <mhodak127_at_gmail.com> wrote:
> 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,
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0 College of Science & Technology, Temple University, Philadelphia PA, USA International Centre for Theoretical Physics, Trieste. Italy.
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