Hi, I have a simple system of non-charged diatomic molecule, (A-B).
I expect total LJ interaction energy in such system when we put LJ parameters of atom B zero (c6 and c12=0) should be equal with total LJ energy of a system containing only atom A. Am I right? Best regards -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
