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