Dear David van der Spoel,which plot must be check? I used this command "g_hbond -f md.xtc -s md.tpr -n index.ndx -num DrugwithWater.xvg" and i get a data point in the end of run of this command and i used it for report. I want to report this data point and it's error. what must i do?many thanks, Mrs. Mahdavi