[gmx-users] Full precision distance calculation

[Justin Lemkul]

On 5/7/16 1:52 AM, Parvez Mh wrote:
> Dear All:
>
> I am trying to calculate distance between two atoms using gmx distance. I
> want long precision distance but this tool gave me truncated distance after
> three decimal. Is it possible get more  long precision distance ?
>

You need to use a double-precision installation and analyze a .trr file.

-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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