The .top file of protein has included itself all parameters, so now you only copy gly.gro into protein.gro and changed the number of atoms. Then using #include” ” lines to add gly.itp into protein.top in suitable position and changed [molecules] options to add the name and number of gly molecule. Note the information of posre_gly.itp. -- 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.
