Dear all I am simulating carbon nanotube in water and I would like to use Lennard-Jones potential For interaction between carbon nanotube and waters with these parameters: σco =3.19˚ A εco =0.392 kJ/mol I know that I should add these parameters manually in ffnonbonded.itp however, I have no Idea where and how can I do that in the ffnonbonded.itp. Any help would be appreciated. -- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
