RPMD simulations with PILE thermostat

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liu xiangyang

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Jul 21, 2023, 4:22:01 AM7/21/23
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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.
10.inp
GFP-energy-1.dat
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