Heating run with increment of 50 K each for 200ps:
 &cntrl
  imin = 0,
  irest = 1, ntx = 5,
  ntb = 2, ntc = 2, ntf = 2,
  cut = 9.0,
  temp0 = 300.0,
  ntt = 3, gamma_ln = 2.0,
  nstlim = 10000, dt = 0.002,
  ntp = 1, taup = 0.5,
  iwrap = 1,
  ntpr = 1000, ntwx = 1000, ntwr = 10000,
  nscm = 1000,
  ntr=1, restraint_wt=100,
  restraintmask='!:WAT & !@H',
  ig=-1,
  ioutfm=1,
&end

