Carla Jamous wrote:
Hi,
please I'm trying to measure an hbond between 2 specific atoms. When I
You won't be able to. A hydrogen bond is defined as occurring between 3 atoms
(D-H...A) for geometric reasons, so you have to specify at least three atoms for
the analysis.
used g_hbond I didn't the result I expected because it doesn't specify
the atoms that constitute the H bond.
Now I'm trying with g_dist but I encountered a problem: when I do the
following in my index file:
r 172 & a HD2
it tells me: empty group
Apparently there is no atom named "HD2" in residue 172. Be sure you're
analyzing the right residue.
-Jusitn
So please can anyone help me?
Thank you.
Carla
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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