[gmx-users] where is Coul-LR?

Yun Shi yunshi09 at gmail.com
Tue Nov 8 22:10:52 CET 2011


Hello all,

I understand that setting rcoulomb > rlist should give me Coul-LR from the
.edr file. But I set rcoulomb = rlist since PME was used to calculate long
range electrostatic interactions, and when I tried g_energy, I only have:

58  Coul-SR:Protein-LIG
 59  LJ-SR:Protein-LIG                   60
LJ-LR:Protein-LIG
 61  Coul-14:Protein-LIG                 62
LJ-14:Protein-LIG

So where is Coul-LR? How should I get it?

Thanks,
Yun
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