Dielectric constant used for PCM calculations

Reading through the manuscript it was not obvious what value the diectric constant for the PCM calculations had. In water the choice is \epsilon = 78.4 but in proteins people tend to use \epsilon = 1.5 to 3.0. I failed to find the numerical value in the manuscript.

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Polarizable continuum model

1 answer

Casper Steinmann • 515

• 16 Aug 2015 12:55pm

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