afsaneh maleki skrev:
thanks dear justin'
it is right that the output of the analysis tools generally writes
axis labels and data set legends. in hblife.xyg file is written that
x axis label "Time (ps)" and the last time is written 14300.001
whereas my simulated time is 40000 ps not 143000.00 ps
i send you this file
I don't remember the details about the calculation of lifetimes, but I
believe it's an estimate of how the half lifes of hydrogen bonds. You
can also get this quantity, along with the kinetic constants and
energies for hb breaking and frormation, using -ac. If I remember
correctly, -ac uses a more reliable method.
Erik
Best wishes,
Afsaneh
On Thu, Jan 28, 2010 at 6:04 PM, Justin A. Lemkul <jalem...@vt.edu
<mailto:jalem...@vt.edu>> wrote:
afsaneh maleki wrote:
Hi,
would you please elaborate the first column in the hblife.xvg
file?
hblife.xyg is the output of the following command:
g_hbond -life hblife.xvg
this column don't show the real time in simulated system.what
are these times?
Check the headers in the .xvg file; the output of the analysis
tools generally writes axis labels and data set legends. If it
still doesn't make sense, post a snippet of your file.
-Justin
thanks in advance,
Afsaneh
--
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Justin A. Lemkul
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Department of Biochemistry
Virginia Tech
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http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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