[gmx-users] No group in index file?

Justin Lemkul jalemkul at vt.edu
Thu Oct 31 21:16:47 CET 2013

On 10/31/13 3:59 PM, Riccardo Concu wrote:
> Dear Xu,
> you have to use the make_ndx option if I'm not wrong.
> The syntax should be make_ndx -f xxx.gro -o index.ndx

make_ndx is not particularly useful for angles.  To get it to recapitulate the 
function of mk_angndx, it's as much work as writing the index file by hand.



Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

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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