[gmx-users] Invalid order for directive defaults

[Atila Petrosian]

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.