Dear users I am going to analysis H-bond and Hbond occupancy using READHBMAP,I downloaded and extracted READHBMAP.TAR.GZ but after typing: ./readHBmap.py -hbm hbmap.xpm -hbn hbond.ndx -f md6.gro -o occupancy.xvg -op pairs.dat ,the message "No hydrogen bonds found above the threshold of 10.0 %%" will appear. The pairs.dat and occupancy.xvg files are empty. When I opened the occupancy.xvg by ConTexT ,the following results could be seen:"
Results for readHBmap.py (Author: Ricardo O. S Soares) --> Found 9 valid hydrogen bond pairs with occupancy of more than 10.0% --> The hydrogen bond map (hbond.xpm) has 5001 frames Pair ID | donor-acceptor | Atom Number | Occupancy (%) | Pair ID I would appreciate any suggestions. Best regards -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
