[gmx-users] gmx distance

Justin Lemkul 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:
> http://www.gromacs.org/Documentation/How-tos/Tool_Changes_for_5.0
> The utility manual page destroyed my brain, to be honest. Something clearer
> than
> "*-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


More information about the gromacs.org_gmx-users mailing list