From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Fri Apr 11 2014 - 12:05:50 CDT
On Apr 11, 2014 6:56 PM, "Miro Hodak" <mhodak127_at_gmail.com> wrote:
> 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.
How to save files is explained in the vmd user's guide.
> Thanks again,
> On Fri, Apr 11, 2014 at 4:36 AM, Axel Kohlmeyer <akohlmey_at_gmail.com>
>> 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
>> > 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
>> > 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
>> > 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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