[gmx-users] dihedral calculation

Justin Lemkul jalemkul at vt.edu
Sat Oct 10 00:08:16 CEST 2015

On 10/9/15 6:06 PM, Parvez Mh wrote:
> Dear all,
> I want to measure dihedral angle of a particluar dihedral over all time
> steps. I see in gromacs that g_angle can calculate the distribution of
> dihedral but not the exact angle measurement. Is there any option in
> gromacs to measure dihedral over the all time steps.

Option -ov does this.  Add -all if analyzing multiple dihedral simultaneously.



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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