[gmx-users] No group in index file?
Xu Dong Huang
xudonghmath at gmail.com
Thu Oct 31 18:36:04 CET 2013
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
Any insight can be appreciated
Thanks,
Xu Huang
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