[CP2K-user] [CP2K:18439] Cp2k run-results-analysis

[Havva Mehralitabar]

Hello everyone,

I ran a QMMM simulation on a ligand-protein system by cp2k. As I am new to
Cp2k I need to know how to obtain the required data from the out file.

I really appreciate any help you can provide.

Havva Mehralitaba

Ph.D. in biophysics

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