Protein explicit solvent: 10000ps (10ns) MD equilibration (NVT)
 &cntrl
  imin   = 0,
  irest = 1,
  ntx = 5,
  ntb    = 1,
  cut    = 9.0,
  ntr    = 1,
  ntc    = 2,
  ntf    = 2,
  nscm   = 1,
  tempi  = 300.0,
  temp0  = 300.0,
  ntt    = 3,
  gamma_ln = 1.0,
  nstlim = 5000000, dt = 0.002,
  iwrap=1, ioutfm=1,ig=-1,
  ntpr = 10000, ntwx = 10000, ntwr = 10000,
 /
END
