[gmx-users] question regarding coulomb potential output

Ali Khodayari ali.khodayari at student.kuleuven.be
Mon May 27 13:48:04 CEST 2019

Dear all,


I have a question regarding the output of the Coulombic energy from the edr

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,


More information about the gromacs.org_gmx-users mailing list