[gmx-users] g_wham error analysis hangs

Magnus Andersson magnus.andersson at scilifelab.se
Mon Aug 5 14:06:47 CEST 2013


> 
> 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... :-)

Magnus



> -- 
> ==================================================
> 
> 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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