On 12/19/12 9:37 AM, Kavyashree M wrote:
Dear users,
While using g_hbond, does it make any difference if I give option
18 and 1 or 1 and 18?
Order does not matter.
I wanted to find the hydrogen bonding of a group of residues with
the whole protein so I had an index of this group. When I give the
option as 18 (index number) and 1 (whole protein), I get several
messages
"Hm. This isn't the first time I found this donor (...,...)"
But later it does calculates. does this mean that it is double counting
those interactions?
What is group 18? Be mindful of the g_hbond requirement that the chosen groups
must be completely unique or completely overlapping.
-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
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