[gmx-users] gmx distance
jalemkul at vt.edu
Tue Aug 4 01:08:36 CEST 2015
On 8/3/15 7:06 PM, Alex wrote:
> I fixed it by explicitly selecting group COMs using the syntax from here:
> The utility manual page destroyed my brain, to be honest. Something clearer
> "*-select* <selection>
> Position pairs to calculate distances for"
> is needed. I'm sorry, but it is.
And it's present with:
gmx help selections
and any of the relevant subtopics, including:
gmx help selections examples
There's indeed a lot to go through, but it's nothing if not comprehensive.
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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