Respected Dr. Lemkul Thanks for the suggestion. I have checked the ffnonbonded.itp and found that copper is entered out there in the following form and format
; Ions and noble gases (useful for tutorials) Cu2+ 29 63.54600 2.00 A 2.08470e-01 4.76976e+00 Ar 18 39.94800 0.00 A 3.41000e-01 2.74580e-02 would this be not be suffice or i need to add Cu separately? or may be I have to run starting from pdb2gmx itself! Regards -- Pratim Chakraborti +919831004707 -- 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 [email protected].
