[gmx-users] Analyzing trajectory file always stops.

[Justin Lemkul]

On 7/21/16 9:19 PM, yamashita.ryoto.82s at st.kyoto-u.ac.jp wrote:
> Dear all.
> I have a trouble when analyzing my trajectory file.
> I want to calculate the radius of gyration of oligomer.But when calculating the radius of gyration, the calculations always stop at about two thirds of my trajectory file.
> Could you tell me what is happening if you know?
>

How large is your trajectory?  How much memory do you have available?  Does 
reducing the frame interval with trjconv work?

-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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