It is not error sometimes it happens whenever preparing receptor most important is that delete hetatm and water from receptor. after that you get +ve energy it means there is a possibility small molecule has low activity in the choose cavity. If small molecule does not show good binding energy it doesnt mean that small molecule is not reactive may be it possible that same molecule would be show good energy in another cavity. This is a hypotetical data you can get to evalute or screening for further study. and some times virtual screening is quite different from in-vitro or in-vivo study so go on check all the parameter and perform new job. Hope everything will be good.