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 -- You received this message because you are subscribed to the Google Groups "cp2k" group. To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>. To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/1a6da3aa-98c1-40ee-a2ba-acbbd0ce5f00n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/1a6da3aa-98c1-40ee-a2ba-acbbd0ce5f00n%40googlegroups.com</a>.