Re: [AMBER] density calculation in radial cpptraj

From: David A Case <case.biomaps.rutgers.edu>
Date: Mon, 4 Feb 2013 11:37:28 -0500

On Mon, Feb 04, 2013, Asmita Gupta wrote:
>
> If i don't use the volume keyword, i have to mention some value using the
> density keyword, as RDF has to be calculated for Na+; not for waters. How
> to calculate this value...is it by using the regular (Density=mass/volume)
> method??

"density" in this context means number density, not mass density.

...dac


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Received on Mon Feb 04 2013 - 09:00:02 PST
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