[gmx-users] cut-offs in j. kerrigans drug/enzyme tutorial

merc mertens merc.mertens at gmx.net
Thu Oct 11 21:29:13 CEST 2007


looking at the mdp`s in the above named tutorial, one sees that in em, pr, md the rvdw (1.4 nm) is always bigger than the rcoulomb (1.0 nm). given that electrostatic interactions have a longer range than lennard-jones potentials i do not understand this choice. thanks for any help.

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