cummulative energy of temp/rescale with spring/self?

thanks axel.

But I don’t know what to do to solve my problem. I am so tired and confused because of spending much time and trying many ways to solve my problem. So if you don’t mind, I want to explain my problem to use your Idea.

I have a fluid confined between to walls in “y” direction. The two walls are in two different temperatures by using “fix temp/rescale” command. The goal is computing Thermal conductivity of fluid. If I could compute the heat flux between upper and lower wall I could calculate the “thermal conductivity” by dividing heat flux into temperature gradient.

The big problem is I can not compute heat flux correctly. The “compute heat/flux” command gets wrong result.

So I compute the energy of “fix temp/rescale” command to compute heat flux while my walls was sprunged by “fix spring/self” command. But the results were not correct.

What should I do?


I assume you mean you are using the internal value for energy added/deleted that
fix temp/rescale stores. You can also try using fix heat, which does something
similar and is more applicable to calcalating thermal conductivities.