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

&cntrl
  ipimd = 2,

  imin = 0, ntb = 1  

  cut = 9.0 

  temp0  = 298.15, tempi = 0.0 

  ntt = 4, nchain = 4

  dt = 0.00005, nstlim =  5

  nscm = 100000000

  ntpr = 1

  ! ntx = 5,  irest = 1

!  neq_cmd = 5, adiab_param = 0.08, 

!  restart_cmd = .true.
/
&ewald
  skinnb = 0.2d0
/
