[gmx-users] excluding electrostatic interactions

Sikandar Mashayak symashayak at gmail.com
Tue May 3 23:30:16 CEST 2011


I want to compute only the non-bonded ( LJ + EL) interactions between
Protein and Solvent and exclude non-bonded interactions between Protein
Protein & SOL SOL.

But energy exclusion group does not necessarily exclude the non-bonded
electrostatic interactions while using PME option for coulombtype.

So I am just wondering if I were to compute electrostatic interactions
between just Protein SOL with PME, how can I do that?

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