[gmx-users] the solute out of water box

[Justin A. Lemkul]

Chih-Ying Lin wrote:
> Hi
> What does it mean "the solute running out of water box" ?

What tool is reporting this message?

> Did it mean that my simulation fail?
> 

I would suggest reading about periodic boundary conditions.

Furthermore, check the list archive before posting.  If you search "protein out 
of box" you will return over 1000 results, and "solute out of box" will give 
over 100.  Surely there will be some useful information there.  Also, read the 
following:

http://wiki.gromacs.org/index.php/Periodic_Boundary_Conditions

-Justin

> How to fix this problem?
> 
> 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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