[gmx-users] rmsdist

[Justin Lemkul]

On 6/30/16 8:58 AM, Sanja Zivanovic wrote:
> Dear users,Could you please tell me if it is possible to make gmx rmsdist
> without hydrogens, comparing just heavy atoms?

Supply an index file with a group that contains the atoms you want to use.

-Justin

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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
http://mackerell.umaryland.edu/~jalemkul

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