[gmx-users] Umbrella sampling Tutorial by Dr. Lemkul

[Justin Lemkul]

On 6/7/16 3:13 AM, amitbehra at chemeng.iisc.ernet.in wrote:
> Hello,
> I was running the simulation for the umbrella sampling tutorial by Dr.
> Justin Lemkul in GROMACS 5.1.2 and I followed the steps exactly as they
> were mentioned.
> But in my summary_distances.dat there is one column. the COM column is
> missing. I am new to gromacs . So please help me out.
>

That means the gmx distance commands failed.  Run one interactively to see what 
error you get.

-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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