*******************************************************
*****************************       mdin
*******************************************************
Runs equilibrium stage
 &cntrl
  imin = 0,
  ntx = 5,
  irest = 1,
  ntpr = _ntpr_,
  ntwr = _ntwr_,
  ntwe = _ntwe_,
  ntxo = 1,
  ntwx = _ntwx_,
  ntwprt = _num-atoms_,
  ioutfm = 1,
  iwrap = 1,
  ntf = 2,
  ntc = 2,
  cut = _cutoff_,
  ntt = 3,
  temp0 = _temperature_,
  gamma_ln = _gamma_ln_,
  ig = -1,
  ntp = 1,
  barostat = _barostat_,
  nstlim = _num-steps_,
  dt = _step_,
  nmropt = 1,
  pencut = -1,
  ntr = 1,
  restraint_wt = 50.0,
  restraintmask = ':1',
  infe = 1,
 /
 &pmd
 output_file = 'cmass.txt'
 output_freq = _ntwx_
 cv_file = 'cv.in'
 /
 &wt type = 'END', /
DISANG=disang_file.rest
LISTOUT=POUT

