Parameter files for Nanotube Simulation

From: Gaurav Sharma (sharma_at_coe.neu.edu)
Date: Thu Jul 28 2005 - 16:26:49 CDT

Hi All,

I plan to run molecular mechanics simulation (stretching, bending,
shearing etc.) on carbon nanotubes using NAMD. I have generated the
required PDB files but I am not sure if the existing parameter
(par_all27_prot_lipid.prm) and topology files for proteins can be used
for simulating CNTs.

I would like to know what are the correct input files for CNT
simulations that take into account the Brenner's potential.

Any help would be appreciated.
Thanks,
Gaurav

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