Dear
I want to calculate the total energy per atoms and the relevant commands are as follows
compute 1 membrane ke/atom
compute 2 membrane pe/atom
compute 3 membrane reduce sum c_1 c_2
dump A membrane custom 100 A.dump id x y z c_3
However, I tried the change and still don’t know what went wrong. Although I looked it up in the manual, I don’t quite understand the error message
Best regards