[gmx-users] Calculating h-bonds frequency along the simulation

Justin Lemkul jalemkul at vt.edu
Wed Jan 7 19:21:23 CET 2015

On 1/7/15 12:08 PM, Vered Kunik wrote:
> Thank you Justin fro the prompt response.
> If I understood correctly you answer to 3) - you would simply use the
> default parameters?

It always seems to work out reasonably.  Being mindful of different approaches 
is certainly good, so you can interpret what you're getting and if it makes sense.



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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