Hello everyone,

I am looking for a script that can calculate the interfacial thermal conductance (ITC) between different bilayers. Does anyone have a script like this or know where I can find one?The following is a description of the main content of the script
In this approach, the bilayer was first equilibrated at 300 K under the canonical (NVT) ensemble for 100 ps followed by another equilibration of 100 ps under the microcanonical (NVE) ensemble to ensure the structure reached thermal equilibrium. Then, the temperature of the top layer was brought up to 500 K by rescaling the velocities of atoms in the layer while that of the bottom 
layer was kept at 300 K. After a brief equilibration for 1 ps, the bilayer structure was allowed to thermally equilibrate under the NVE ensemble for 200 ps。

Thank you in advance for your help.