Dear Farrokh,
You could also look at the MARTINI force field:
http://md.chem.rug.nl/cgmartini/
This is a coarse grained force field.
You could also look up publications by Luca Monticelli (http://www.dsimb.inserm.fr/~luca/)
He has carried out simulations for similar problems.
Best,
Mario
Dear Farrokh,
You could also look at the MARTINI force field:
http://md.chem.rug.nl/cgmartini/
This is a coarse grained force field.
hmmm..... martini is *very* unspecific. already using the all-atom
classical parameters is neglecting the fairly high polarizability
of CNTs and thus one has to be very careful not to overinterpret
the results.
a colleague of mine has spent considerable effort in
parametrizing coarse grain interactions using the cg/cmm
formalism and ended up having to use 4 sites per benzene
ring (so not that much coarse graining for the all-carbon species).
the corresponding paper should come out very soon.
in any case, which is an applicable potential depend a lot
on the purpose of the simulatiion, and i would personally
be very careful to recommend a CG model w/o knowing
what the application is.
cheers,
axel.
Dear Farrokh,
I agree totally with Axel.
MARTINI is just an option.
Whether it works for you or not would depend on what you are looking at.
I personally have no hands on experience with such systems! :o)
Best,
Mario