Hi,
On Mon, Jul 7, 2014 at 4:01 AM, zhangmk <zhangmk69.gmail.com> wrote:
> DONOR ACCEPTORH ACCEPTOR
> atom# :res.atom atom# :res.atom atom# :res.atom %occupied distance
> angle lifetime maxocc
> | 66 :7.O | 2535 :808.H2 2533 :808.O | 1.44 2.864 ( 0.18) 23.75
> (14.35) 10.4 ( 14.3) 39 | . -o |
>
> But I feel confused on some columns of value. What’s the meaning of the
> value in parentheses in column distance and angle? And what do the three
> values
> stand for in the column of lifetime maxocc ?
>
The values in parentheses are the standard deviations of the preceding
number. The 'lifetime' column is the average (and std. dev.) number of
frames that hydrogen bond stayed "formed", and the 'maxocc' column is the
maximum number of frames where that hydrogen bond was formed.
Hope this helps,
-Dan
> Thank you for your early reply!
>
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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Mon Jul 07 2014 - 07:30:02 PDT
