ADL: Charges for AutoDock Vina

Gianluca Interlandi gianluca at
Tue Oct 6 21:59:18 PDT 2020

What charges shall I use for receptor and ligand in AutoDock Vina? Is it 
ok to keep the charges that I already have for the receptor (generated 
from the CHARMM force field) and Gasteiger charges for ligand? Or, do I 
have to use Gasteiger charges for both, receptor and ligand?



Gianluca Interlandi, PhD gianluca at
                     +1 (206) 685 4435

Research Assistant Professor at the Department of Bioengineering
at the University of Washington, Seattle WA U.S.A.

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