[gmx-users] a problem about Coul-LR in energy groups output. Coul-LR is always ZERO !

Dai Liang g0403186 at nus.edu.sg
Mon Sep 18 19:16:13 CEST 2006

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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