initial qmmm of structure
  &cntrl
   imin=1, maxcyc=1000, ncyc=200,
   cut=10, ntb=0, fcap=1.5, 
   ifqt=1, nqt=37, idc=0,
/
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 
28 29 30 31 32 33 34 35 36 37
END
END