[gmx-users] g_hbonds, sliced

David spoel at xray.bmc.uu.se
Fri Dec 10 21:27:17 CET 2004

On Fri, 2004-12-10 at 11:50 -0500, Marcelo A. Carignano wrote:
> Dear Gromac users,
> I need to count the number of H bonds as a function of time,
> but also as a function of the position of the water molecule in the box.
> By position I mean dividing the system in slices, as g_density does.
> Is there any way to tell g_hbonds to do this? 
you want to count the number of hbonds per slice?
In that case you will have to edit gmx_hbond.c

> Thank you so much,
> 	Marcelo Carignano
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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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