Dear all, I have a problem with the creating of a top-file with grompp_d because the following error appeared:
Fatal error: [ file spc.itp, line 32 ] Atom index (1) in settles out of bounds (1-0). This probably means that you have inserted topologie section "settles" in a part belonging to a different molecule than you intended to. In that case move the "settles" section to the right molecule. Can anybody help me? I'm at a loss what I should change still so that it finally works. Thank you for your efforts. Saskia Frenzel -- GRATIS für alle GMX-Mitglieder: Die maxdome Movie-FLAT! Jetzt freischalten unter http://portal.gmx.net/de/go/maxdome01 _______________________________________________ gmx-users mailing list [email protected] http://lists.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
