trial
 &cntrl
  imin   = 0,
  irest  = 1, ntx = 7,
  ntb    = 2,
  pres0  = 1.0, ntp = 1, taup = 2.0,
  ntc    = 2, ntf = 2,
  ntt    = 3, gamma_ln = 10.0,
  tempi  = 310.15,
  temp0  = 310.15,
  nstlim = 50000, dt = 0.002
  cut    = 20.0,
  ntr    = 0,
  nrespa = 1, iwrap=1,
  ntpr   = 100, ntwx = 100, ntwr = 100,
  ifqnt  = 1
 /
  &qmmm
  qmmask='@1-31,258-267,273-287,3914-3920,4469-4486'
  qmcharge=-1, 
  qm_theory='DFTB', qmshake=0,
  dftb_telec=100,
  dftb_disper=1,
  dftb_chg=1, scfconv=1.0e-9, tight_p_conv=1,
  qmcut=20.0,
  printdipole = 1,
  writepdb=1,
  qm_ewald=1, qm_pme=1
 &end


