Re: [AMBER] Calculation of Volume fraction

From: David Case <david.case.rutgers.edu>
Date: Wed, 7 Jun 2017 12:26:53 -0400

On Tue, Jun 06, 2017, Supriyo Naskar wrote:

> I have a solvated DNA into water and want to calculate the volume fraction
> of DNA.

I don't think Amber alone can do this. I believe you need to use some
other program, e.g. one of those listed here:

   http://www.ugr.es/~hilario/PMPLAB/Surfaces.html

Use that to get the DNA volume, then divide by the volume of the periodic
box you are using.

...hope this helps....dac


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Received on Wed Jun 07 2017 - 09:30:02 PDT
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