TIP3P PP 
 &cntrl
   imin = 5, ntx = 1, irest = 0, 
   ntt = 1, tautp = 1.0, temp0 = 300.0, tempi = 300.0,
   ntc = 2, ntf = 1, ntb = 2,
   ntp = 1, taup = 1.0,                                     
   ntwx = 10, ntwe = 0, ntwr = 10, ntpr = 10, ioutfm = 0,
   cut = 8.0, iwrap = 1,
 &end
