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Calculate Morse potential

by homie000
Tags: morse, potential
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homie000
#1
Mar5-12, 02:35 PM
P: 1
I am doing a MD simulation. In it, I set a bunch of molecules (e.g. O2. H2) colliding with each other. To calculate Lennard - Jones potential, i can calculate the distance between molecules and use it as the distance parameter. But for Morse potential, how do I calculate the distance parameter since it is between atoms within the molecule?
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