16 December 2024 0 8K Report

I built a copolymer of about 900 atoms in Maestro and docked it to some ligands. Since the model is not a protein, there is no residue defined. Now that I want to calculate binding free energy by Prime, I receive this error:

MMGBSA Error: ERROR: Non-zero exit status from backend program -- Job Failed for all Entries

ERROR: too many atoms within single residue

found 883, max is 500

ERROR IN ATOMTYPING OF RESIDUE UNK (1)

Error code in backend -1

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