Example QMMM MD Script for Sander 9 &cntrl imin=1, maxcyc=500, ntb=0, cut=20., ifqnt=1 / &qmmm qmmask='@668-678,1394-1399,2935-2939,3668-3675' qmcharge=-1, qmtheory=1, qmcut=20.0 /