density equilibration
 &cntrl
  imin = 0,	ntx = 1,	irest = 0,
  ntpr = 1,	ntwr = 5000,	ntwx = 0, ntave=5000,
  ntf = 2,      ntc = 2,  jfastw = 4,
  ntb = 2,	cut = 9.0,
  nstlim = 10,	dt = 0.001,
  temp0 = 300.0,	ntt = 3,	gamma_ln = 5,
  ig=-1,
  ntp = 1,	pres0 = 1.0,	taup = 0.2,
  icfe=1,	clambda = 0.3,
  iamoeba=1,
  ifsc=0,
  crgmask=':Na+',
 /
 &ewald
  order=6, ew_coeff=0.45, nfft1=32,nfft2=32,nfft3=32, skinnb = 0.5,
 /
 &amoeba
  dipole_scf_tol=1e-2, do_vdw_taper=1, do_vdw_longrange=1,
  amoeba_verbose=0,
 /
