Hi Users,
I am trying to set up an NEMD simulation. In the set up I have an elongated simulation box say along z-direction. I put a heat source around the center of the simulation box in the region z = -2.5 to 2.5 A. At the two ends of the simulation box along z-direction I put two sinks of width 2.5A each. I have water molecules in my system. In the source region I need to heat it at some rate and from the sink I need to take out heat at the same rate. Now the problem arises in heating or cooling these source and sink region. If I group these regions then its a static one. So it does not serve the purpose. Can any one suggest me how do I heat the source and cool the sink?
kind regards
Bhaskar