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
========================================
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists