Re: PDB files for carbon nanotubes

From: Sascha Tayefeh (
Date: Thu Jul 14 2005 - 16:13:25 CDT


 this sounds like molecular modelling. For such tasks we use "charmm"
( ). However, if you prefer a gui-based modelling
suite, I'd suggest something like "Sybyl" ( ).

 Hope that helps

Good luck

Sascha Tayefeh

Gaurav Sharma schrieb:

> Hi All,
> I plan to run MD simulations on carbon nanotube. How can I generate
> PDB files for nanotubes with a desired radius, length and/or defects
> (hanging COO- group etc.). I know of a software called TubeGen in
> which one can specify the chirality and the length but not the radius.
> Any help would be appreciated.
> Thanks
> Gaurav

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