200 ps NPT equilibration at 300K and 1 atm
 &cntrl
  imin = 0, 
  nstlim = 100000, dt = 0.002,
  ntx = 1, irest = 0, tempi = 300.0, 
  ntt = 3, temp0 = 300.0, gamma_ln = 90, vlimit = 0.0,
  ntp = 1, pres0 = 1, taup = 1.0,
  ntc = 2, ntf = 2, tol = 1.0d-8,
  ntb = 2, nscm = 1,  
  ntpr = 50, ntave = 500,
  ntwr = 500, ntxo = 1,
  ntwx = 50, ioutfm = 1,
  ntwe = 5, 
  ig = 2,
 &end