[gmx-users] plain cutoff coulomb
Cheong Wee Loong, Daniel
dcheong at ihpc.a-star.edu.sg
Tue Jun 2 10:19:38 CEST 2009
This seems like a really simple and silly question, but I have read through the manual and the archives and can't seem to find anything about it.
If I were to set coulombtype = cutoff, g_energy will still calculate Coul-LR term which suggests that Gromacs calculates some long range correction term for the coulomb interactions beyond the cut-off rcoulomb. But I can't seem to find any explanation on how the interactions beyond rcoulomb is calculated when not using Ewald or PME. Can anyone enlighten me?
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