density equilibration
 &cntrl
  imin = 0,     ntx = 1,        irest = 0,
  ntpr = 2500,  ntwr = 5000,    ntwx = 0, ntave=5000,
  ntf = 1,      ntc = 2, jfastw = 4,
  noshakemask=':WAT',
  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 = 0.5,
  ifsc=1,
  crgmask=':Na+',
  scmask=':Na+',
  iamoeba=1,
 /
 &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,
 /
 &end
