fix atom/swap

[111156]

Dear all,

I am using fix atom/swap command, with confusion.

1. During running, both the potential energy and total energy increase. Which one should be the calculated energy? It means whether the runing tempature is important.
2. Only fix temp > 5000 K, the swap can occur. Elements are Fe and Cr.

My script

fix 1 all nvt temp 5000 5000 1
fix MC all atom/swap 10 1 29908 5000 types 1 2
run 1000000