From: Miro Hodak (mhodak127_at_gmail.com)
Date: Fri Apr 11 2014 - 11:56:59 CDT
I know of that one, that is how I built my nanotube, but I do not see a way
to get a PSF file from this plugin once the nanotube is built.
On Fri, Apr 11, 2014 at 4:36 AM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:
> 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
> > protein
> > 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
> > already provides a prebuilt PSF file for the nanotube used there. I want
> > work
> > with a different nanotube (20,0) and looking at the tutorial and other
> > resources
> > I cannot figure out how to create a PSF file for an arbitrary nanotube I
> > want to work with.
> > Can anybody help?
> > Thank you,
> > Miro
> 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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