[gmx-users] the details about g_density

[Justin Lemkul]

On 5/22/13 9:12 PM, vigaryang wrote:
> I have used the program "g_density" to generate the mass density profile and the charge density profile of molecules at gas-liquid interface. My question is: Is the center of mass/charge used by g_density to compute the the mass/charge density profile?
>

No, it is built from the coordinate origin outward.  Note that there are 
problems with g_density when using NPT and/or complex systems:

http://redmine.gromacs.org/issues/1168

The issue also has some useful information about how g_density works, which of 
course can also be obtained from the code itself.

-Justin

> I'm eager for the answer, because the reviewer of my submitted article ask me for that question but I don't know how to reply. I have used google to search for the answer, but I did not found.
>
> I really appreciate you for the attention and consideration to this email.
>
>
> Best regards,
>
> Vigar Yang
>
> Department of Chemical and Biological Engineering,
> Zhejiang University,
> Hangzhou, China
>
>
>
>

-- 
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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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