[gmx-users] summary_distances.dat file not complete

[Justin Lemkul]

On 6/7/17 10:56 PM, Norfarisha Mohd Fadil wrote:
> Dear users,
> 
> I ran the Perl script for Umbrella Sampling Tutorial 3, and it generated an incomplete summary_distances.dat :
> 

This means the gmx distance command failed for some windows.  Ditch the script 
and run the command yourself on those windows to see why.

-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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