Dear all,
I have a question regarding the output of the Coulombic energy from the edr file. I am looking at the interactions between two molecules, and trying to analyse the contribution of different interaction types between these two. Since hydrogen bonds are formed based on the charge differences between donors and acceptors, I am wondering whether the coulomb potential which I get from the edr file also contains the hydrogen bond energies. Thank you for your kind responses. Kind regards, Ali -- 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.