From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Fri Mar 11 2011 - 05:18:57 CST
On Fri, Mar 11, 2011 at 3:36 AM, sakthi kumaran <persakthi_at_gmail.com> wrote:
> Dear all,
> I have coordinates of a (5,5)nanotube in a .pdb file.To create a
> .psf file the autopsf builder in vmd requires some topology file to be
> included. I just need to have that required file as needed my autopsf
> builder to have my psf file for my nanotube.
>
>
> a small doubt that I am not getting cleared What makes a topology file
> different from a parameter file?
they are very different, just have a look. to know more, you should
work your way through the topology file tutorial:
http://www.ks.uiuc.edu/Training/Tutorials/#specializedtopics
you will also see from that, that you need different
strategy to get a psf file. all you need is to assign
the correct atom type and then generate all angle,
dihedral and improper definitions.
cheers,
axel.
>
>
>
> thank you
> Kind regards,
> Sakthi
>
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0 Institute for Computational Molecular Science Temple University, Philadelphia PA, USA.
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