Question regarding Class 2 Dihedral Potential Documentation

On the dihedral_style class2 page, a term for Eaa is not defined, while it is clearly present in all literature references, e.g.,

  1. http://www.sklogwiki.org/SklogWiki/index.php/COMPASS;

  2. COMPASS: An ab Initio Force-Field Optimized for Condensed-Phase Applications doi: 10.1021/jp980939v

Is this a documentation mistake, or is there a reason for this?

Thanks,

Fred

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Hi Fred

It is included in the improper torsion term in LAMMPS. http://lammps.sandia.gov/doc/improper_class2.html

Paul

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Never mind, I figured it out.

–Fred

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