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Appendix A. Keyword Reference |  |
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Appendix A. Keyword Reference | |
CONNOLLY — Enable use of the Connolly surface for the ESP calculation.
CONNOLLY
Enables use of the Connolly surface[51] for the ESP calculation. Four surfaces of a density of one point per angstrom based on multiples of 1.4, 1.6, 1.8, and 2.0 times the Van der Waals radii of the atoms are used. The CONNOLLY keyword is provided (although it is the default surface algorithm) to allow inputs and outputs to be marked as using this surface.
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