AMBER Archive (2009)

Subject: Re: [AMBER] radial distribution without normalization

• Previous message: Jodi Hadden: "[AMBER] input coordinates for vdW transition step in Amber 10 TI"
• In reply to: CHAMI F.: "[AMBER] radial distribution without normalization"
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>
> 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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• Previous message: Jodi Hadden: "[AMBER] input coordinates for vdW transition step in Amber 10 TI"
• In reply to: CHAMI F.: "[AMBER] radial distribution without normalization"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]