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
--
========================================
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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