ADL: regarding active site
dmer018 at aucklanduni.ac.nz
Sun Jun 14 13:30:35 PDT 2009
sorry for the late reply. I am using Autodock 4 and not Autodock Vina. So,
do you advice me to use Vina?
Do you think I will be able to solve the problem?
2009/6/14 Oleg Trott <trott at scripps.edu>
> On Fri, Jun 12, 2009 at 3:53 PM, Davide
> Mercadante<dmer018 at aucklanduni.ac.nz> wrote:
> > 2) After the calculations the docked ligands are not in the box that I
> > to perform the calculation
> Are you using AutoDock 4 or AutoDock Vina? In Vina, there is a stiff
> scoring function penalty for going outside the box, so the ligand is
> very unlikely to stray too far.
> Oleg Trott, Ph.D. (Columbia University)
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