[gmx-users] g_wham error analysis hangs

[Justin Lemkul]

On 8/5/13 8:06 AM, Magnus Andersson wrote:
>
>>
>> I've had this happen before when trying to analyze too many data points.  Try reducing the size of the input data using -b to see if that helps.
>>
>> -Justin
>
> Thanks for the suggestion, Justin. However, either it hangs or I get:
>
> Fatal error:
> Tryig to estimtate autocorrelation time from only 6 points. Provide more pull data!
>
> when providing too few frames.
>
> Any suggestions on how to proceed? I really need those error bars... :-)
>

What version of Gromacs are you using?  How many data points do you have in the 
full set?

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

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