Hi, It depends on you, wheter you want to put position restriction on your molecule you should add posre.itp to topol.top or not. But whenever you use define=-DPOSRES in your .mdp file, GROMACS can read posre.itp files in topol.top an apply position restriction to molecule.
Rose On Fri, 5 Oct 2018, 02:24 Mahdi Sobati Nezhad, <mahdisobatinez...@gmail.com> wrote: > Hello Gromacs users. > When I use pdb2gmx the Gromacs make pores.itp but in my topol.top there is > no any porse.itp > What can I do?! > Do it's important that porse.itp should be in topol.top or its enough that > pdb2gmx make porse.itp?! > > Thanks > -- > 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. > -- 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.