AutoDock-Vina: Question: error on ligand is outside the grid box
I got this error massage when I used the python vina==1.2.3:
ERROR: The ligand is outside the grid box. Increase the size of the grid box or center it accordingly around the ligand.
How can I solve this error? There were no error while I was working with the previous version Vina 1.2.2 (not python). Although the ligands wasn’t inside of the grid box Vina was able to dock it to the receptor without any problem.
About this issue
- Original URL
- State: open
- Created 2 years ago
- Comments: 23 (8 by maintainers)
This is very surprising. Can you share the files and commands/scripts to reproduce?