Subject: Autodoc: ERROR - energy is infinite

From: Juraina Jamil <[email-masked]>
Date: Thu, 2 Jan 2003 17:07:41 -0800 (PST)

I received an error saying 
"eval.cc: ERROR! energy is infinite" 
and another saying
"eval.cc: ERROR! energy is not a number"
in the autodock output file that's followed by a list
of atoms in the ligand designated as INF or NaN. Why
is this so? Though the errors are there, autodock is
running fine. 

Someone asked on sidechains flexibility of protein
during docking before and I understood that it's not
possible with autodock but is it possible to have only
a certain range of residues to have such flexibility? 
And if not, what other available docking softwares
that would be able to do just that? 

Best wishes for 2003,
Juraina

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