Dear gromaxers, I havea system of 6500 atoms. Gromacs shows that the simulation will take 8 hrs to complete the simulation. Is my system that large? The system is 15x15x15 units cells of Fe. so the the total box size is 4.305. I have tken cu-offs for LJ as 1.55. There is only LJ interaction. rslist is 1.55 too.
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karamyog
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