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
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?
Dr. Brigitta Elsässer
University of Paderborn
Department of Chemistry
elsaesse at mail.upb.de
More information about the autodock