Re: [AMBER] Calculate the volume of a protein from the trajectory

From: Brian Radak <radak004.umn.edu>
Date: Tue, 28 Feb 2012 09:24:24 -0500

Do you mean like an excluded volume? Something like that might be able to
be calculated from a solvent radial distribution function (the "radial"
command in ptraj). That might be tricky and also not what you mean/want.

Regards,
Brian

On Tue, Feb 28, 2012 at 2:41 AM, surasak chunsrivirot <fa833.hotmail.com>wrote:

>
> Dear all,
>
> I'm wondering if there is a command in AMBER to calculate the volume of a
> protein from the trajectory. Specifically, I want to calculate the average
> volume of the protein from the last 10 ns trajectory. Any suggestions on
> this issue would be greatly appreciated.
>
> Thank you very much for your help,
> Surasak
>
>
>
>
>
>
>
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Received on Tue Feb 28 2012 - 06:30:02 PST