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I want to analyze the energy during a normal
simulation. Some strange things happened.
In mdp file, I selected DNA, NA+, SOL for energy
groups output. When I analyzed edr file by g_energy, I found Coul_LR is always
ZERO. I think my parameters have no problem, rlist = 1.0
rcoulomb = 1.0, rvdw = 1.0. Furthermore, when I selected
'System' for energy output, Coul_LR have some reasonable values.
When I do MD simulation in other computer,
there is NO output for Coul-LR with the SAME parameter
file.
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