
SPC/Fw water simulation: primitive PIMD with Nose'-Hoover chains

&cntrl
  ipimd = 2,

  cut = 9.0 

  temp0  = 298.15, tempi = 298.15

  ntt = 4, nchain = 4

  dt = 0.0001, nstlim =  5

  nscm = 100000000

  ntpr = 1

  ntb= 2, ntp = 1

  ! ntx = 5,  irest = 1
/
&ewald
  skinnb = 0.2d0
/
