[gmx-users] Distance of residue’s centre of mass to a surface (COM)

[Justin Lemkul]

On 3/27/15 8:03 AM, James Lord wrote:
> Dear users,
> If I want to calculate distance of each residue's COM of a protein to a
> surface is g_mindist going to be my friend? It is documented that
> "g_mindist computes the distance between one group and a number of other
> groups. Both the minimum distance and the number of contacts within a given
> distance are written to two separate output files".

Use g_dist, not g_mindist.

-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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