[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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