[gmx-users] cut-off g_hbond

Justin Lemkul jalemkul at vt.edu
Fri Oct 5 13:50:11 CEST 2012

On 10/5/12 7:39 AM, Gavin Melaugh wrote:
> Hi Justin
> Thanks, that's what I thought. Is there a need to define a
> hydrogen-acceptor distance as well. I read in a few articles that this
> was the case, usually 0.25nm ?

One can define hydrogen bonds in a number of ways, but a D-A distance of 0.35 nm 
and an H-A distance of 0.25 nm are basically equivalent, given that O-H and N-H 
bonds are about 0.1 nm.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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