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Gromacs is complaining the file "forcefield.itp", not "lig.itp". So my guess is you have a corrupted file. Terry On Wed, Apr 20, 2016 at 2:42 PM, Uma Devi <renuma...@gmail.com> wrote: > i am running protein with ligand complex. i am following the methods given > by justin. i am using opls force field. i have converted the protein pdb > using pdb2gmx and ligand file using topolgen. after that i have > concatenated both in gro and include the lig.itp in topology file. while > performing the energy minimization i got the error, which is pasted below > Fatal error: > Syntax error - File forcefield.itp, line 18 > Last line read: > '[ defaults ]' > Invalid order for directive defaults > > i have gone through all the mail list. but i could not resolve it. > herewith i have attached the lig.itp file for your perusal. please aid me > to resolve this. waiting for your reply > > -- > 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.