[CP2K-user] [CP2K:18926] Infinite Energy while running PM6

Deeksha Vasudevan deekshavasudev16 at gmail.com
Wed Jun 14 07:56:39 UTC 2023


Dear Cp2k users, 
                   I've been trying to run metadynamics for bovine 
enterokinase using the method PM6 and it runs fine but the energy kept on 
increasing, and it has reached infinity, but the program does not stop and 
it does not show any errors. Could someone please tell me what could be the 
problem? I'm attaching the input, output, and data files below.

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