About the config.txt for docking programs

VFVS VFVS 1
#1

In each input folder must be the file config.txt which is used by the docking program to specify its options

In the VFVS-Demonstration1(tutorials), the qvina02 and smina_rigid were chose as docking programs. Are there any templates of the file config.txt for other docking programs? (qvina_w, vina, smina_flexible, gwovina, adfr)

#2

Hi RoseWoo and welcome to the forum!

The config file follows the structure of a typical AutodockVina file and should be located in the input-files folder:

receptor = …/input-files/receptors/CB2.pdbqt

center_x = 1
center_y = 1
center_z = 1

size_x = 1
size_y = 1
size_z = 1

exhaustiveness = 8

Hope this helps!

Sorin