[gmx-developers] Nr of graph edges per atom and distance restraints

Juergen Haas jhaas at gwdg.de
Fri Mar 16 09:36:06 CET 2007


>
> To get things right,
> you are using only distance restraints, no orientation restraints
> and you get a segfault around line 166 or orires.c, not disre.c ??
in that case I forgot to switch off orires...:(
to wrap it up: the segfault seems to have been linked to fftw commands and it  
turned out that I overlooked a trivial error: the lam/fftw environment on my 
newly installed machine was broken. 
Fixing that solved all problems and I could use the suggested hack of 
increasing g->maxedge. 

Thanks!
Juergen

-- 
Juergen Haas, PhD
 Max-Planck-Institute for Biophysical Chemistry
 Theoretical and Computational Biophysics Department
 Am Fassberg 11
 D-37077 Goettingen
 Tel. +49-(0)-551-2012313
 Germany



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