qmmm equil
 &cntrl
  imin=0, irest=1, ntx=5,
  nstlim=250000, dt=0.002,
  ntc=2, ntf=2,
  cut=10.0, ntb=2, ntp=1, taup=2.0,
  ntpr=500, ntwx=500, ntwr=50000,
  ntt=3, gamma_ln=2.0,
  temp0=300.0,
  ifqnt=1
 /
  &qmmm
  iqmatoms=11973,11974,11975,11976,11977,11978,11979,11980,11981,11982,11983,11984,11985,11986,11987,11988,12003,12004,12005,12006,12007,12008,12009,12010,12011,12012,12013,12014,12085,12086,12087,12088,
  qmcharge=0,
  qmtheory=7,
  qmshake=1,
  qm_ewald=1, qm_pme=1,
  writepdb=1,
 /




