[gmx-users] Re: refcoord_scaling = com

Justin Lemkul jalemkul at vt.edu
Fri Jun 14 17:56:01 CEST 2013

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.




Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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