[gmx-users] How to exclude 1-4 interactions within a given group?

Markus O Kaukonen mokaukon at cc.helsinki.fi
Wed Nov 17 09:13:32 CET 2004


Dear All,

How to exclude 1-4 (LJ and coulomb) interactions within a given group
when using opls force field?

I want to kill 1-4 interaction for this particular group only.
energy_grp_excl seems to keep 1-4 interaction.

Terveisin Markus

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