[gmx-users] editconf -density 1000

[Justin A. Lemkul]

Chih-Ying Lin wrote:
> Hi
> The flag of editconf -density has the default value 1000
> editconf -density	 real	 1000	 Density (g/l) of the output box
> achieved by scaling
> 
> 
> But, my system is running on D2O not H2O
> Earlier I did not notice this flag and simply use the command editconf
> to create a box.
> So, will my simulation go totally wrong without giving the correct density?
> 

Well, if your D2O parameters are accurate, and you equilibrate sufficiently, you 
may be able to achieve the proper density for your system.

-Justin

> 
> Thank you
> Lin
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-- 
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Justin A. Lemkul
Graduate Research Assistant
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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