[gmx-users] Coulomb and vdW energies

[elham]

Dear all, I want to obtain the coulomb and vdW energies between two atoms of separate molecules, However  the .edr output calculate coulomb  and vdW energies of whole system. There is not any option(like -n .ndx) to define the the special atoms in the gmx energy command. How can I calculate the coulomb and vdW energies between the two atoms which are related to two separate molecules?Best