Equillibration Run
 &cntrl
     imin=0,
     irest=1,
     ntx=7,
     ntb = 2,
     ntp = 1
     ntr=0,
     ntc=1,
     ntf=1,
     tempi=300.00,
     temp0=300.00,
     ntt=3,
     gamma_ln=1.0,
     nstlim = 5000, dt= 0.002,
     ntpr = 50,
     ntwx = 50,
     ntwr = 50,
     cut = 10
     ifqnt = 1
/
 &qmmm
  iqmatoms= 1827, 1828, 1829, 1830, 1831, 1832, 3038, 3039, 3040, 3041, 3042, 3043, 3050, 3051, 3052, 3053, 3054, 3055, 7032, 7033, 7034, 7035, 7036, 7037, 7038, 7039, 7055, 7056, 7057, 7058, 7059, 7060, 7061, 7062, 7063, 7064, 7065, 7066, 7067, 7068, 7069, 7070, 7071, 7072, 7073, 7074, 7075, 7076, 7077, 7078, 7079, 7080, 7081, 7082, 7083, 7084, 7085, 7086, 7087, 7088, 7089, 7090, 7091 ,
  qmcharge=0,
  spin=1,
  qmcharge=0,
  qmtheory=1,
  qmshake=1,
  qm_ewald=1, qm_pme=1
 /



