[gmx-users] g_rdf & graph edges

[David van der Spoel]

Manohar Murthi wrote:
> hi all
> 
> i encounter a "Fatal error:
> More than 4 graph edges per atom" when using g_rdf on
> a trajectory that was generated using 'pbc=full'. 
> 
> berk hess correctly stated that pbc=full circumvents
> this problem in mdrun, but i've not seen any news of
> this behaviour with the analysis programs. 
> 
> has anyone else encuontered/worked around similar
> difficulties?
> 
> thanks
> mo
> 
> ps - i'm using gromacs v.3.3. is 3.3.1 any better in
> this regard?

no, this is still as an unsolved bug in bugzilla (66).



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-- 
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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