[gmx-users] g_rdf & graph edges

Manohar Murthi sir_donald_bradman at yahoo.com
Fri May 19 21:57:00 CEST 2006


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?

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