GROMACS version: 5.1.4
GROMACS modification: No
Hello dear Gromacs supporters and users,
Although I knew (from a previous reply of Justin to a user in this forum) that the long-range Disp-corr (PME) term is not possible to breakdown into its individual energetic contributions terms, wouldn’t be possible to have/know an approximate number of the interactions (protein-protein, proten-nonprotein or nonprotein-nonprotein) accounted for when a given energy (e.g. the entahlpy of a trajectory) is obtained in a simulation??
Thanks in advance.