Dear all:
I have tried to perform an RPMD simulation with PILE thermostat. However, when I check the output energies in the energy.dat file, I found that the ConQty values are not constant and will increase a lot with the increase of the bead numbers.
I wonder whether it is correct or there is something wrong with my inputs.
Thanks!
PS. I have attached the input and the energy.dat files with 10 beads.