Dear users, I am trying to perform a simulation with a protein which contains two nickel atoms in the active site.
When using the pdb2gmx command the following error appears: 'NI' not found in residue topology database I have edited the ions.itp file in the force field directory used (opls) but the same error still appears. Best regards, Edjan. -- 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.
