Hi, Your error message is simple to resolve, if you include your moleculetype directives in the right order (see reference manual). But I cannot understand your real objective.
Mark On Sun, Apr 15, 2018, 11:21 Anjali Patel <anjalipatel60...@gmail.com> wrote: > Dear gromacs users, > > I want to do Gibbs Free energy calculations. In my case their are two > molecule in PDB file. I have generated topology file by TopolGen-1.1. Now > got the error like Syntax error - File structure.top, line 10 Last line > read: '[ moleculetype ]' Invalid order for directive moleculetype. I tried > a lot to solve this but as per my understanding i have to include both > molecule in couple-moltype in .mdp but in principle it is not possible by > relevant site. How i can solve this error. > Any help will highly be appreciated > > > With regards > Anjali Patel > Research Scholar > Department of Physics > The M S University of Baroda, Vadodara-390002 > -- > 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.