[gmx-users] how to calculate protein-ligand interaction energy?
s.mofidifar at gmail.com
Wed Feb 21 11:58:21 CET 2018
Dear Gromacs Users,
I want to calculate protein-ligand interaction energy. as far as I figured
out Its summation of these six options in gmx-energy:
I doubt about My calculation. Therefore, it would be helpful if you please
explain in a bit more detail about calculation of interaction energy, If my
calculation method is wrong?
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