[gmx-users] Calculate mean length of a bond.

Justin Lemkul jalemkul at vt.edu
Sun Aug 31 15:02:10 CEST 2014

On 8/31/14, 6:51 AM, Dawid das wrote:
> Dear Gromacs experts,
> Is there a tool in Gromacs which allows one to calculate mean length,RMSD,
> the minimum and maximum length of a specific bond? If yes, is it possible
> to calculate it only for a specific time period of MD simulation, e.g. 3-5
> ns?

g_bond in pre-5.0 Gromacs or gmx distance in 5.0 can handle this.



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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