Question:
Q1 The coordinates of 3 particles in a cubic simulation cell
Last updated: 7/3/2023
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Q1 The coordinates of 3 particles in a cubic simulation cell with an edge length of 20 origin being at the center of the cell are as follows Particle 1 2 3 x 8 0 7 0 3 5 y 2 0 2 0 2 0 z 2 0 2 0 2 0 Using the minimum image convention with a cut off radius Rc of 9 calculate manually the total potential energy of the system Assume that the particles interact via 12 6 Lennard Jones potential form with o 3 4 and 1 kJ mol 6