From: Gaurav Sharma (sharma_at_coe.neu.edu)
Date: Thu Jul 28 2005 - 16:26:49 CDT
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.
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:39:45 CST