[gmx-users] Calculate total non-bonded contacts in gromacs

Justin Lemkul jalemkul at vt.edu
Thu May 26 13:46:30 CEST 2016

On 5/26/16 6:31 AM, SAPNA BORAH wrote:
> Dear all,
> Is there any protocol in gromacs that can help me get the total number of
> non-bonded contacts in a protein, or protein-ligand with respect to time?

gmx mindist -on



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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