[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
Regards
Azadeh
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