[CP2K-user] [CP2K:16696] Getting KIND error while doing em step for QM/MM
Purva Dua
purvadua999 at gmail.com
Fri Mar 11 07:31:10 UTC 2022
Dear all,
I want to do energy minimization of my protein system. But getting the
error "Unknown element for KIND <NS>". I have searched the topology file
but was not able to find this atom type. From which file should I search
about this unknown element.? Also, I added NS considering the error in
output but then getting the error "Unknown element for KIND <MG2+C2>". I
added MG2+ and C2 separately in the KIND section but was still not able to
solve it.
Please help me how can I solve this problem and in which file can I see
these unknown NS elements?
Thanks in advance.
Regards
Purva
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