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                                            Mandar Kulkarni

Flexible docking tutorial : no HD map file after autogrid4

Hi, Thanks for your reply. Please see .gpf file attached. [1fpu_receptor_rigid.gpf.zip](https://github.com/ccsb-scripps/AutoDock-Vina/files/8550683/1fpu_receptor_rigid.gpf.zip) This file is generated using command below: `~/ADFRsuite-1.0/bin/pythonsh ../autodock_github_clone/AutoDock-Vina/example/autodock_scripts/prepare_gpf.py -l 1iep_ligand.pdbqt -r 1fpu_receptor_rigid.pdbqt -y` .pdbqt file has HD atom...

Flexible docking tutorial : no HD map file after autogrid4

I have tried the same script on another Linux desktop (both machines run Ubunutu 20.04 LTS) and an HD map file is generated. this is quite unusual. Thanks for your...