Hi FabrÃcio, > I've checked wikigromacs, but the solution given there, to simply erase the > second default line does not suit me here. Once I do this, i mean, go to my > ligand.itp file and put a ; before my default section, grompp does not > recognize anymore that my ligand is there and gives out another error line.
Well, it's not like grompp is recognizing you have a ligand there right now, is it? grompp doesn't reach the point where it realizes you don't seem to have a ligand. It seems there's something wrong with the topology. Better post ligand.itp, like Justin suggests, and also give the error which occurs when you do comment out the defaults line in the ligand topology. Cheers, Tsjerk -- Tsjerk A. Wassenaar, Ph.D. Junior UD (post-doc) Biomolecular NMR, Bijvoet Center Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands P: +31-30-2539931 F: +31-30-2537623 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
