Hi gmx-users,
I have calculated the interaction energy between two group. But I find that
the values of the LJ interaction energy are negative and the values of the
Coulomb interaction energy are positive between two group. So I think the LJ
interaction is attractive and the Coulomb interaction is repulsive. Is it
correct for my consideration of the interaction ?
Jinyao Wang
wan...@ciac.jl.cn
2009-10-21
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