CP2K 2022.2 error reading Amber 22 prmtop file

[jerryt...@gmail.com]

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 

[jerryt...@gmail.com]

I found the problem.  I had a mismatch between my pdb file and the prmtop file.  I resolved it and the job is running as expected.

Thank you,

Jerry