[gmx-users] no groups in indexfile!
jalemkul at vt.edu
Mon Oct 15 18:17:38 CEST 2012
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 A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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