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Receptor : pdbqt - generated with mgltools
Ligand: pdbqt - prepared with mgltools
-- when I generated the pdbqt of the ligand with obabel, the docking simulation worked. The problem was with the pdbqt file of the ligand prepared with mgltools.
The text was updated successfully, but these errors were encountered:
Error message: An internal error occurred in ../../../src/lib/parse_pdbqt.cpp(69).
Version: 1.2.7
Ubuntu
Config:
receptor = receptor.pdbqt
ligand = ligand.pdbqt
center_x = 19.320
center_y = -1.727
center_z = 12.232
size_x = 40
size_y = 48
size_z = 42
exhaustiveness = 128
out = result.pdbqt
Receptor : pdbqt - generated with mgltools
Ligand: pdbqt - prepared with mgltools
-- when I generated the pdbqt of the ligand with obabel, the docking simulation worked. The problem was with the pdbqt file of the ligand prepared with mgltools.
The text was updated successfully, but these errors were encountered: