[gmx-users] Nonbonded energy of 1-4 interactions

Zhonghua Xia zhonghua.xia at helmholtz-muenchen.de
Thu Sep 20 11:33:01 CEST 2018

Dear all,

I want to get the nonbonded energy (1-4 electrostatic and 1-4 LJ) of solute-solute and solute-solvent, respectively. How can I make it? What’s more, how can I set the scaling-factors of them?

I’m totally a green hand in using GROMACS. I was looking for the solutions for a couple of days but still have no ideas. 
Thank you very much for your kind help in advance!

Kind regards,

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