[gmx-users] tetrahedral order parameter

[Justin Lemkul]

On 6/1/17 3:42 AM, ISHRAT JAHAN wrote:
> Dear all,
> I want to calculate tetrahedral order parameter of water molecule.can
> anyone tell me how to calculate it.

Use gmx hydorder

-Justin

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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
http://mackerell.umaryland.edu/~jalemkul

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