[gmx-users] Translational Pulling

[Justin Lemkul]

On 4/22/16 5:27 PM, Ray Chao wrote:
> ​Hi, Justin,
>
> Thanks for your response. I also tried to pull with absolute reference
> group. But it didn't work either.
>
> I saw in the manual that freezing means the position will no longer be
> updated. So technically, you cannot pull frozen atoms, right?​
>

That's what I said in my last reply, yes.  You can fix one group or the other, 
not both, which is what you were trying to do based on those .mdp settings.

-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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