Thanks Justin for your reply. I was wondering then how to prepare an OH.itp file from the scartch. Can it be made using pdb2gmx? Also from some old threads I came accross that hydroxide and hydroxonium ions are species which dont obey classical dynamics. I would appreciate your thoughts on this.
I would also like to know if I make an NaOH.itp somehow and then add it to my system containing the polymer is it going to behave like a polyelectrolyte? Sorry if I am asking much. Thanks and regards, Soumadwip Ghosh Research Scholar IITB India -- 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.
