[gmx-users] no groups in indexfile!

[Justin Lemkul]

On 10/15/12 11:48 AM, Amir Abbasi wrote:
> Hi !
> I want to use g_sgangle to find distance between two groups (each group includes 3 atoms).
> I use this command:
> g_sgangle -s md_1.tpr -f md_1_noPBC.xtc -n index.ndx -oa 12_angle.xvg -od 12_dist.xvg
> but i got this error
> Fatal error:
> Error: no groups in indexfile
>
> my index file:
>   [ G3 ]
> 76    81    85
>   [ G4 ]
> 110    115    119
>

The most likely explanation is that you have some problem with non-Unix line 
endings in the file.  Note that if you just need distances between groups, 
g_dist is more efficient for that calculation.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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