Hello all, I'd like to simulate a Lennard-Jones mixture. For simplicity, let's say it's a binary A B mixture.
However, sigma_AB and epsilon_AB are set independently (i.e. NOT derived from a standard mixing rule of AA and BB parameters). In addition, I'd like AA, BB, and AB interactions to all have different interaction cut-offs. Is this possible to implement in a simple manner or does this require using a tabulated potential? Thanks! -Elia -- 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.
