[gmx-users] g_hbond error "Your computational box has shrunk too much"

[David van der Spoel]

andrea carotti wrote:
> Hi all,
> I'm beginning to analyze my trajectories, everything works fine with
> (g_rmsf, g_saltbr ...) but when i try to use g_hbond I receive this
> error:
> --------------
> Program g_hbond, VERSION 3.3.1
> Source code file: gmx_hbond.c, line: 631
> 
> Fatal error:
> Your computational box has shrunk too much.
> g_hbond can not handle this situation, sorry.
> 
> -------------------------------------------------------
> Is this a bug or a problme with my system? Is there the possibility to
> avoid this problem in some way?
> THANKS
> Andrea
> 
> 
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Is it correct? Did you plot the box volume as a function of time?
You can use g_hbond for different stretches of the trajectory and 
combine the results manually.
-- 
David.
________________________________________________________________________
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://folding.bmc.uu.se
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