AMBER Archive (2005)

Subject: Re: AMBER: question about Carnal

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Wed Jun 22 2005 - 15:51:34 CDT

> I am using Amber7 and I used two functions in carnal, particularly the
> function for radius of gyration (radgyr) and the DISTRIBUTION function
> for a radial distribution function.
> I am wondering if there is a reference as to what equations were used in
> these functions?

There are no references for these equations. Carnal will be
dropped from Amber, so there is no plan to document it further.

Radial distribution involves dividing the number of cases
within a given radial shell by the volume of the shell. I
forget the meaning of radius of gyration, but the formula
should be relatively easy to see by looking at the code,
also it shouldn't be hard to find the formula on the web
or in a textbook.

Bill
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