[gmx-users] Re: refcoord_scaling = com

[Justin Lemkul]

On 6/14/13 6:33 AM, maggin wrote:
> Hi, Justin,
>
> At md step, protein run out of box, if it will better that set position
> constraint, let protein at center of box?

There is no such thing as "outside" of an infinite system using periodic 
boundary conditions.

http://www.gromacs.org/Documentation/Terminology/Periodic_Boundary_Conditions

-Justin

-- 
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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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