>
> regarding Radial distribution ...I need the raw data without the
> normalization to ideal gas ...
I am not exactly sure what you are trying to calculate; rdf's are not
typically normalized to ideal gas but perhaps some density? If using
ptraj see the file actions.c and the routine transformRadial() which
has many comments.... -tec3
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Received on Mon Jul 06 2009 - 08:38:01 PDT
