[CP2K-user] [CP2K:20116] Getting the potential energy of a subsystem

[Simone Ritarossi]

Dear all,

I am simulating (MD) a system consisting of two well-defined subsystems. 
Clearly from the output I can know the total potential energy and the total 
kinetic energy. I would like to be able to obtain the potential energy of a 
subsystem (as a list of atoms?). 
(Kinetic energy can be calculated from TEMP_KIND, no problem). 

I really appriciate your help.

Best regards,
Simone

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