[gmx-users] cut-off g_hbond

[Justin Lemkul]

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

-- 
========================================

Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================