NPT production
 &cntrl
  imin = 0,	ntx = 7,	irest = 1,
  ntpr = 1000,	ntwr = 100000,	ntwx = 1000,
  ntf = 1,	ntc = 2,
  ntb = 2,	iwrap=1,
  nstlim = 2500000,	dt = 0.002,
  temp0 = 300.0,	ntt = 3,	gamma_ln = 2,
  ntp = 1,	pres0 = 1.0,	taup = 5.0,
  icfe=1,       clambda = 0.50,
  ifmbar=1, bar_intervall=10,
  bar_l_min=0.48, bar_l_max=0.52,
  bar_l_incr=0.02, logdvdl=1,
  ifsc=1,
  crgmask='',
  scmask='',
 &end