Dear Justin

Thanks for your reply.

> In your previous setup, you were effectively trying to use CHARMM27 + some 
> other
> force field related to the CNT.  You can't do that.

Thus, Gromacs is not appropriate for systems containing cnt.
Is my deduction true?

In my case, peptid + cnt + water molecules, what is your suggestion?

Please guide me and explain more. How to do MD simulation of my system
by gromacs?

Any help will highly appreciated.
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