Dear Justin thanks for your attention
in my case calcium ion is bonded to 4 oxygen atoms of C=O group of protein. yes, Calcium ions are present in nearly all the force fields in Gromacs. but there are only parameters in * nb.itp and not in * bon.itp. how to obtain these new parameters for my case?
-- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists