I have been trying to reproduce molecular dynamic simulation using Biovia’s material studio software for probing effect of binary solvent (ethanol + acetonitrile) on saccharin solubility reported elsewhere. 

In RDF analysis performed on the final MD trajectory run showing sharp peak within 2.5 Å indicating strong intermolecular interactions possibly H-bond. However under dynamics status, we are getting Hydrogen bond energy as ZERO in non bounded section. Also on analyzing the last frame of dynamic production phase trajectory, and calculating hydrogen bond, it is neither showing formation of any hydrogen bond nor having any solvent molecule in proximity with saccharin molecule despite showing g(r) value within limit for RDF. Kindly let me know, what could be the possible reasons for this & corrective measures if any. Thank you.