Mixing rules only apply when no specific parameters for an interaction are provided. "Gromacs FF" is mostly GROMOS87 (i.e., don't use it for new runs), which has a handful of exceptions from the standard combination rules.

What do you mean by "new runs"? And why not use it? Parameters are too outdated or something? They don't work?

In Gromacs it would actually work fine to _only_ list the exception interactions, and rely on combination rules for the rest, but since GROMOS specifies it as a huge matrix of all combinations it is easier to just copy it.

Cheers,

Erik


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