Article ID: 182 - Last Modified: January 31, 2012
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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