Heating
 &cntrl
  imin   = 0,
  irest  = 0,
  ntx    = 1,
  ntb    = 1,
  cut    = 10.0,
  ntr    = 1,
  ntc    = 1,
  ntf    = 1,
  tempi  = 0.0,
  temp0  = 50.0,
  ntt    = 3,
  gamma_ln = 2.0,
  nstlim = 25000, dt = 0.002,
  ntpr = 50, ntwx = 100, ntwr = 1000,
  restraintmask=':1-490',
  restraint_wt = 2.0,
 /
