[Dock-fans] inv_a error
Jose R. Valverde
jrvalverde at cnb.csic.es
Thu Jan 19 01:50:15 PST 2012
I am running a dock job using Zou GB/SA scoring, and I keep getting
a number of errors in each pose calculation, all of the kind
Pure ligand inv_a error: 46 -20.749
Receptor on ligand inv_a error: 33 -24.7508
I suspect this means the calculation results will be wrong and
should not be used. Right? Or is this just an informative message that
can be disregarded?
In any case, can anybody help me identify what is the likely cause
and what should I do to correct it?
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