[gmx-users] [Fwd: hbdist]
David van der Spoel
spoel at xray.bmc.uu.se
Wed Jun 8 17:34:16 CEST 2005
-------- Forwarded Message --------
From: Christian Schauz <schauz at itt.uni-stuttgart.de>
To: spoel at gromacs.org
Date: Wed, 8 Jun 2005 17:00:03 +0200
I try to figure out what the right column in the hbdist.xvg file means because
it seems to be more than just the number of excisting hydrogen bonds at a
certain distance. I would be very thankful if you could explain to me what
the numbers in the right column mean.
I tried following runs:
I generated an hbdist file with g_hbond for one mdrun of 5 ps and another one
of 10 ps. The values in the right column of the hbdist file in the 5 ps run
were usually higher than those in the 10 ps run - why?
Thank you very much,
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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