Dear users, I need help. I want to build the topology of a polymeric chain of PVDF of 602 atoms, and of a sheet of Graphene Oxide of 202 atoms. I use the version of gromacs 5.1.4. The problem is that it does not recognize some atoms in the polymeric chain, and not at all the graphene oxide atoms. I already worked with the x2top command, I had already created another executable .n2t file, to complete the missing atoms in the atomname file, and in the past I built topology for graphene oxide and graphene systems, but now, all this command with my previous challenge doesn't t work. I'm doing a thousand tests but I do not know how to do it.
I hope to get help. Thank you Maria Luisa Perrotta Ph.D Student, CNR-ITM via P.Bucci, 87036 Rende (Cs) Italy email: ml.perro...@itm.cnr.it -- 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.
