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

[WT Ren]

Dear Justin:

Thanks for your reply

What a pity!

Weitong* Ren, PhD student*
Laboratory of Biophysics
Department of Physics
*Nanjing University*
Nanjing, Jiangsu, PR China
210093
tel : +86 025 8359 7226
*wtren at biophy.nju.edu.cn <wtren at biophy.nju.edu.cn>*

On Sat, Feb 7, 2015 at 5:34 AM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> 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.
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>
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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