Dear All,
I am setting up a simulation of protein-ATP complex. I manually combined the coordinates and topologies of the protein and ATP together, and ran editconf and solvate successfully. However, when I ran grompp, errors occurred: Syntax error - File forcefield.itp, line 4 Last line read: '[ defaults ]' Invalid order for directive defaults I checked the .itp files I used and did not find "[ defaults ]" pattern. How to fix it? Thanks, Qing -- 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.
