[gmx-users] g_wham error analysis hangs

Justin Lemkul jalemkul at vt.edu
Mon Aug 5 14:08:18 CEST 2013

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 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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