PDB files for carbon nanotubes

From: Gaurav Sharma (sharma_at_coe.neu.edu)
Date: Thu Jul 14 2005 - 14:33:05 CDT

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.


Gaurav Sharma
Computational BioNano Robotics Lab
Northeastern University
Boston, MA - 02115
Tel: 617-373-2970

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