[gmx-users] Angle group
jalemkul at vt.edu
Wed Jul 23 13:33:05 CEST 2014
On 7/23/14, 5:58 AM, Dr. Vitaly Chaban wrote:
> Use g_angle and your index file must contain triples of the involved atoms.
> if I remember correctly, this route provides a gaussian-type
> probability distribution, i.e. not evolution vs. time.
The default behavior is to produce a distribution, but g_angle -ov -all will
produce individual time series of all the angles in the chosen index group.
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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