> my other question, you mentioned in your email "distance RDF-value integral"
whoops, forgot to answer this...
The output format is 3 columns; the first is the distance (in Angstroms),
i.e. 0.0, 0.5, 1.0, ... The second column is the RDF. The third
represents the integral (or effectively the occupancy as a function of
distance or loosely how many waters in a shell of a given radius).
--tec3
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Received on Tue Jul 27 2010 - 09:00:07 PDT
