[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. 


You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/fe4ce72b-fbe6-43a8-8c2e-8b4006bb7f2dn%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220310/6d9e4423/attachment.htm>

More information about the CP2K-user mailing list