[gmx-users] No group in index file?
jalemkul at vt.edu
Thu Oct 31 18:38:10 CET 2013
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 A. Lemkul, Ph.D.
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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