Volume Equilibration MD - constant pressure
 &cntrl
  imin  = 0,
  irest    = 1,
  ntx      = 5,
  ntb      = 2,
  pres0    = 1.0,
  ntp      = 1,
  taup     = 2.0,
  cut      = 10.0,
  ntr      = 0,
  ntc      = 2,
  ntf      = 2,
  tempi    = 300.0,
  temp0    = 300.0,
  ntt      = 3,
  gamma_ln = 5.0,
  ig       = -1,
  ioutfm   = 1,
  iwrap    = 1,
  nstlim   = 2500000,
  dt       = 0.002,
  ntpr = 1000, ntwx = 1000, ntwr = 1000
 /
 &ewald
  nfft1=32,
  nfft2=32,
  nfft3=32,
  order=4
 /
