minimization of solvent
 &cntrl
  imin = 1, maxcyc = 10000,   
  ncyc = 20, ntx = 1,                     
  ntwx = 1, ntwe = 1, ntwr = 1, ntpr = 1,
  cut = 10.0,   
  ntr=1, restraintmask = '@CA',
  restraint_wt = 10,
  ntxo=2,
  ifqnt = 1,
 /
 &qmmm
  qmmask = ':MG,LIG,ATP',
  qmcharge     = 4,
  qm_theory = 'quick',
  qmmm_int = 1,
  qm_ewald = 0,
 /
 &quick
  method = 'B3LYP',
  basis = 'def2-svp',
/
