[gmx-users] RDF

Justin Lemkul jalemkul at vt.edu
Tue Jul 11 22:37:51 CEST 2017

On 7/11/17 1:38 PM, Pandya, Akash wrote:
> When I try to make an index group for the protein residue and the ligand molecule, the whole system is included in the index file.
> I use these options:
> r 166 (protein residue)
> r 901 (ligand molecule)
> then press q

All the default groups will still be there, you're just adding new ones into the 
list that you can choose from.  Neither of those will correspond to the whole 
system, so they should be viable choices at the gmx rdf prompt.



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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