Member Site Forums Rosetta 3 Rosetta 3 – General trying to create heme.params Reply To: trying to create heme.params


    Thanks so much! I tried saving in .mol format, but didn’t like the aromaticity specifications & refused to do the conversion. So I edited the mol2 file as suggested – replace nc with 1 – and that worked just fine (though with several warnings about how unproteinlike the system is).