Re: creating .psf file for a nanotube

From: Axel Kohlmeyer (
Date: Fri Mar 11 2011 - 05:18:57 CST

On Fri, Mar 11, 2011 at 3:36 AM, sakthi kumaran <> 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:

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.


> thank you
> Kind regards,
> Sakthi

Dr. Axel Kohlmeyer
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.

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