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. -- gmx-users mailing list email@example.com http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists