[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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