Hello, I want to calculate Hydrogen bonding between C-alpha of glycine and the oxygen atom of water molecules. So, i gave the command as:-
gmx hbond -f nptmd.trr -s nptmd.tpr -n CaOw.ndx -num abc.xvg but i got the error as: Calculating hydrogen bonds between OW (511 atoms) and CA (1 atoms) Found 0 donors and 511 acceptors No Donors found ------------------------------------------------------- Program: gmx hbond, version 2016.2 Source file: src/gromacs/gmxana/gmx_hbond.cpp (line 2732) Fatal error: Nothing to be done So, how can i solve this issue..?? Is there no any Hydrogen bonding between this..?? (I think there is some hydrogen bonding present ...) Any suggestions are appreciated. Thank you. -- With Best Regards, DILIP.H.N PhD Student <https://mailtrack.io/> Sent with Mailtrack <https://mailtrack.io?utm_source=gmail&utm_medium=signature&utm_campaign=signaturevirality&;> -- 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.
