
md cijele kutije
 &cntrl
  imin = 0, irest = 1, ntx = 7,
  ntb = 2, pres0 = 1.0, ntp = 1,
  taup = 1.0, 
  cut = 10.0, ntr = 0,
  ntc = 1,
  tempi = 300.0, temp0 = 300.0,
  ntt = 3, gamma_ln = 1.0,
  nstlim = 10, dt = 0.00025,
  ntpr = 1, ntwx = 1, ntwr = 1
&end
&debugf
  do_debugf=1, dumpfrc=1,
&end
&end
