The energy of the whole system in a QMMM simulation

jts2t... at gmail.com jts2t... at gmail.com
Wed Sep 6 06:31:10 UTC 2017


Dear researchers and developers,

I am not so familiar with CP2K. After I run a QMMM simulation of KCl just 
as here: https://www.cp2k.org/exercises:2017_ethz_mmm:qmmm, I want to know 
the energy of the whole system not just the energy of the QM region, how to 
achieve it in the input setting?

I'll appreciate for your apply !
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