[gmx-users] gmx distance
jalemkul at vt.edu
Thu May 14 03:19:33 CEST 2015
On 5/13/15 7:33 PM, Ayesha Fatima wrote:
> Dear Justin,
> Thank you for the response. I used this as command line
> gmx_mod distance -s pull.tpr -f conf0.gro -n index.ndx -select groups.txt
> Obviously this is wrong in the 'select' command. I read again the way to
> put it on the online manual. I am not sure how to pair the COM of A and B,
> like given on the page 'com of group "A" plus com of group "B"
Pretty much exactly like that.
'com of group "Chain_A" plus com of group "Chain_B"'
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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