ADL: different results with autodock and autodock tools

J.I. Miranda qobmimuj at sc.ehu.es
Mon Sep 13 03:00:04 PDT 2004


Dear Autodock users

I am doing the docking with a ligand with a population of 50 ligand and 
50 runs per ligand.

The report of autodock the (.dlg) file at the end has a clustering 
histogram  this histogram is different that
is obtained with ADTools with the same value of rms tolerence.
Which is the correct?

Does anybody how to obtain the same ?

Sinceraly

Dr J.I. Miranda

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   Dr José Ignacio Miranda Murua

E.M.N. Zerbitzua // Servicio de RMN
Donostiako Kimika Fakultatea // Facultad de Químicas de San Sebastian
Manuel Lardizabal ibilbidea-3. 20009-Donostia. Spain
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