[gmx-users] editconf -density 1000

Justin A. Lemkul jalemkul at vt.edu
Sat Dec 6 02:28:48 CET 2008

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.


> Thank you
> Lin
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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