I am trying to do molecular docking of protein and a drug molecule. but the dock.glp file is showing the below error. the molecule(ligand) name is molecule 1.pdbqt but it is showing that can't find or open "molecule". pls help !!!
Coordinates of Central Grid Point of Maps = (-14.010, -43.830, 27.660)
Macromolecule file used to create Grid Maps = Processed_AChE.pdbqt
Grid Parameter file used to create Grid Maps = C:/Users/kashy/Downloads/Docking/grid.gpf
Minimum coordinates in grid = (-21.510, -51.330, 20.160)
Maximum coordinates in grid = (-6.510, -36.330, 35.160)
DPF> map Processed_AChE.A.map # atom-specific affinity map
DPF> map Processed_AChE.C.map # atom-specific affinity map
DPF> map Processed_AChE.Cl.map # atom-specific affinity map
DPF> map Processed_AChE.NA.map # atom-specific affinity map
DPF> map Processed_AChE.OA.map # atom-specific affinity map
DPF> map Processed_AChE.N.map # atom-specific affinity map
DPF> elecmap Processed_AChE.e.map # electrostatics map
DPF> desolvmap Processed_AChE.d.map # desolvation map
DPF> move molecule 1.pdbqt # small molecule
1,4-interactions will be _ignored_ in the non-bonded internal energy calculation.
Real= 0.63, CPU= 0.41, System= 0.00
C:/Users/kashy/Downloads/Docking/autodock4.exe: I'm sorry; I can't find or open "molecule"
C:/Users/kashy/Downloads/Docking/autodock4.exe: FATAL ERROR: C:/Users/kashy/Downloads/Docking/autodock4.exe: I'm sorry; I can't find or open "molecule"
C:/Users/kashy/Downloads/Docking/autodock4.exe: Unsuccessful Completion.