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Article ID: 182 - Last Modified:

My Prime MM-GBSA fails when the ligand is a peptide. What is going on?

Prime MM-GBSA requires all atoms of the ligand to have the same residue number and residue name. You can change these Residue Properties from the Edit Menu in Maestro.

Keywords: Prime, MM-GBSA, MMGBSA, peptide, residue type, residue name, Maestro

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