[gmx-users] Umbrella Sampling PMF

[Justin Lemkul]

On 9/1/13 1:39 AM, Shima Arasteh wrote:
> Hi,
>
>
> I ran US on an ion through a channel inserted in a bilayer.
>
> I used g_wham and got the profile output. In the visualized profile, I see a region that the plot shows a flat line and it seems the data is missed there. Would you please let me know what the reason of missing data is?
>

It's not missing data, it's a lack of sampling.  Plot the histograms and you 
will see.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

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

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