[gmx-users] Distance restraint between two chains' com

[Justin Lemkul]

On 2/6/15 8:47 AM, WT Ren wrote:
> Dear Justin:
>
> Sorry to bother you again
>
> When I did a long flat-bottom distance restraint(about 2nm),
> I got the error message: “There is no domain decomposition for 8 nodes....”
>
> So is there any way to do a long distance restraint properly.
>

Restraints limit DD cell size, so you're limited to fewer DD cells or not using 
DD at all (OpenMP only).

-Justin

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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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