[gmx-users] no groups in indexfile!
Amir Abbasi
amir.abbasi69 at yahoo.com
Mon Oct 15 17:48:36 CEST 2012
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
Best Regards,
Amir
More information about the gromacs.org_gmx-users
mailing list