search

ccsb-scripps / AutoDock-Vina

AutoDock Vina
http://vina.scripps.edu
Apache License 2.0
562 stars 199 forks source link

Multiple ligands docking Error #193

Closed IbrahimHepishy closed 1 year ago

IbrahimHepishy commented 1 year ago

I tried this vina code for multiple ligands docking using vina forcefield: vina --receptor 4kmz_prep.pdbqt --ligand acetonide.pdbqt folic.pdbqt --config config.txt --exhaustiveness 32 --out ligand_vina_out.pdbqt

The config file is just like the tutorial:

center_x = 30.817
center_y = 49.941
center_z = 51.945
size_x = 50
size_y = 50
size_z = 50

I encountered the following error:

PS C:\Users\20106\Desktop\MLSD> ./vina.exe --receptor 4kmz_prep.pdbqt --ligand acetonide.pdbqt folic.pdbqt --config config.txt --exhaustiveness 32 --out ligand_vina_out.pdbqt
Command line parse error: too many positional options

Can you help me out?! Thanks!

IbrahimHepishy commented 1 year ago

I solve the problem by using a newer version of AutoDock Vina 1.2.3