[gmx-users] Calculating h-bonds frequency along the simulation
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
More information about the gromacs.org_gmx-users