
water box pimd simulation: PBC

&cntrl
   ipimd = 1,

   temp0 = 300, tempi = 300, temp0les = -1.0 ! use single bath for les and non-les parts

   dt = 0.001, nstlim=5, 

   ntpr = 1, ntwx = 50, cut = 7.9,
   
   ntt = 3, gamma_ln = 20.0

   ntx = 5, irest = 1
/
&ewald
   skinnb=1.0
/
