ADL: errors, no map file generated for Mg, energy is infinite

Dr. Brigitta Elsaesser elsaesse at mail.uni-paderborn.de
Fri May 9 01:13:46 PDT 2008


Dear users,

I was trying to dock an RNA dinucleotide into RNaseH where I have a Mg  
atom in the active site. Although I could run autogrid succesfully  
there was no Map generated for Mg and therefore autodock did not run  
and had the following error:

autodock4: I'm sorry; I can't find or open "1rdd_rigid.Mg.map"
Real= 0.00,  CPU= 5.62,  System= 0.06

I also had another problem. When I docked the same dinucleotide into  
another RNase enzyme I got the following error message:

eval.cc:  ERROR!  energy is infinite!

Is there anybody can help me?

Thanks,
Brigitta


-- 
===========================================
Dr. Brigitta Elsässer
University of Paderborn
Department of Chemistry
Room: J4.238
elsaesse at mail.upb.de
Tel.: +49-5251-60-2178
===========================================




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