[gmx-users] gmx enenrgy

kordzadeh at aut.ac.ir kordzadeh at aut.ac.ir
Thu Jan 18 06:39:18 CET 2018

Hi all

when we use "gmx energy" what is the difference between LJ-(SR), LJ-14, Coulomb-14, Coulomb(SR)?

those mentioned energies, give us energy interaction of total system. right?

if I want to determine interaction enenrgy for example, LJ, between two special species, not in total system, what should I do? 

Any suggestion will be appreciated

Thank you very much



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