[gmx-users] a problem about Coul-LR in energy groups output. Coul-LR is always ZERO !
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.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users