[gmx-users] graph edges bug?

James Rustad james.rustad at gmail.com
Wed May 3 21:17:48 CEST 2006

Hi List,
I am running into a "max graph edges exceeded" problem with
gromacs 3.3.
I can run my molecule fine with "pbc = no" but when
I change it to "pbc = xyz" I get
Program mdrun_d, VERSION 3.3
Source code file: mshift.c, line: 95

Fatal error:
More than 9 graph edges per atom (atom 16)

Its a rather complex molecule with lots of dummies attached,
the molecule itself has 7 atoms and 15 constraints are specified,
so it should be ok.  Again, it runs fine in the gas-phase with pbc=no
Has anyone else run into this?
Jim Rustad

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