Dear all, I was using the thermal conductivity script written by Reinier and I faced a problem. 
I set my Temperature at 300K but after the simulation process it didn't reach to 300K, instead it was much higher than 300K. I change my time step to see if its too short for dynamics running but the temperature was even higher. Greatly hope someone can give me some guidance. Plus, the following pictures are some details of my script.
thanks in advance.