[gmx-users] md simulation of carbon nano tubes

Justin A. Lemkul jalemkul at vt.edu
Tue Feb 16 13:49:50 CET 2010

leila karami wrote:
> Hi
> what is the best program and force field for md simulation of carbon 
> nano tubes?
> Any help will highly appreciated!

Search the literature.  There are numerous reports of CNT simulations, many of 
them conducted with Gromacs.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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