[gmx-users] density profile

[Justin Lemkul]

On 3/31/13 11:41 AM, Elisabeth wrote:
> Dear all,
>
> In order to get density profile of a pure system the box has to get
> extended in one drection (e.g Z) as we do for surface tension calculations
> or density profile
> can be also obtained from the usual box filled up with the molecules
> without need for empty space in Z
>
> Thanks for any comments and advise in advance :)

The density of the system is written to the .edr file.  There is no need (or 
use) for a density profile if the system is homogeneous.

-Justin

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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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