[CP2K-user] [CP2K:19935] CP2K 2022.2 error reading Amber 22 prmtop file

jerryt...@gmail.com jerrytanoury at gmail.com
Tue Feb 20 21:10:32 UTC 2024


Dear Forum,
I am trying to run a QMMM MD job with Amber + CP2K, but I am getting the 
following error when CP2K reads the prmtop file:
FORCEFIELD| Missing Charge            (  N1)                               
    
 FORCEFIELD| Missing Charge            (  O2)                               
    
 FORCEFIELD| Missing Charge            (  O3)                               
    
 FORCEFIELD| Missing Charge            (  N4)                               
    
 FORCEFIELD| Missing Charge            (  O5)                               
    
 FORCEFIELD| Missing Charge            (   O)                               
    
 FORCEFIELD| Missing Charge            (  H1)                               
    
 FORCEFIELD| Missing Charge            (  H2)                              
    

I have attached all relevant files.  Thank you for your help.

Kindest regards,
Jerry 

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