[CP2K-user] [CP2K:21608] Regarding the .pot file in the QM/MM
Siva Bharadwaj V
sivanitw99 at gmail.com
Thu Jul 3 10:15:56 UTC 2025
Hello everyone, I am trying to run a cp2k QM/MM calculation of molecular
dynamics with the Calcium surface treated with MM and the salt with QM. For
the Calcium surface the potential I am using is eam potential and the MM
section is unable to read the format as it is in lammps format so could
anyone help me in converting the .eam file into .pot file. Any help would
be appreciated. I am attaching my input and my eam file here
Thanks in advance
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