[gmx-users] order parameter
jalemkul at vt.edu
Sat Feb 15 01:34:37 CET 2014
On 2/14/14, 7:29 PM, rankinb wrote:
> I cannot locate the VMD script to calculate the tetrahedral order parameter.
> Does anyone know where I can find it? Alternatively, the manual states that
> g_order can compute this parameter, but it is not clear to me how to do so.
> It seems like this command is tailored for carbon tails. I would like to
> calculate the order parameter for water. Does anyone have any suggestions?
g_hydorder is the program you want.
Justin A. Lemkul, Ph.D.
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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