[gmx-users] [Fwd: hbdist]

David spoel at xray.bmc.uu.se
Wed Jun 8 19:10:09 CEST 2005

On Wed, 2005-06-08 at 17:34 +0200, David van der Spoel wrote:
> -------- Forwarded Message --------
> From: Christian Schauz <schauz at itt.uni-stuttgart.de>
> To: spoel at gromacs.org
> Subject: hbdist
> Date: Wed, 8 Jun 2005 17:00:03 +0200
> Dear David,
> 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?

-dist: distance distribution of all hydrogen bonds.

That is old crap probably. The latest g_hbond doesn't print anything
> Thank you very much,
> Christian 
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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