[gmx-users] No group in index file?

[Justin Lemkul]

On 10/31/13 1:36 PM, Xu Dong Huang wrote:
> Dear all.
>
> Since I am interested in finding the average angle, dihedrals in my system, I attempted to use g_angle, but then I realized I need to make index file using mk_angndx,
>
> I issued the following:
> mk_angndx -s npt.tpr -n angle.ndx
>
> and then i used g_angle -f not.xtc -n angle.ndx -ov angle.xvg -noperiodic -type angle
>
> and then I get the following error:
> Fatal error:
> Error: no groups in indexfile
>
> How can my index file not have the groups in there? How can I go about fixing this
>

Inspect it with a text editor and/or gmxcheck.

-Justin

-- 
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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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