I am sending you a .tpr file topol.tpr <http://gromacs.5086.x6.nabble.com/file/n5008556/topol.tpr> David -- View this message in context: http://gromacs.5086.x6.nabble.com/QM-MM-simulations-tp5008196p5008556.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com.