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[lammps-users] Obtaining interaction energy between given particles
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[lammps-users] Obtaining interaction energy between given particles


From: Lu Wang <mm229196@...7278...>
Date: Thu, 3 May 2018 12:08:22 +0430

Hi researchers

In my work, I intend to calculate interaction energy (vdw, coul) between a given set of atoms, say, water's oxygen and carboxylic's hydrogen. 

Is there any command to output such quantity?

Many thanks in advance