[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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