Dear VOTCA developers and users,
I have tried to run IMC for a binary mixture
with update cycles. But instead of a cycle, no update is performed.
In the inverse.log file it is written:
/share/votca/scripts/inverse/imc_purify.sh: line 41: scheme: bad array
subscript
Here is the part of the .xml file where I have defined the cycles
<target>Ar-Ar_rdf.xvg</target>
<!-- update cycles -->
<do_potential>1 0 0</do_potential>
<post_update>smooth</post_update>
<post_update_options>
<smooth>
<iterations>2</iterations>
</smooth>
</post_update_options>
For the other interactions it looks similar, just the order is changed from
1 0 0 to 0 1 0 respectively to 0 0 1.
So in principle I just followed the tutorial for propane, which gives the
same error.
Hope somebody can help me.
Best regards,
David
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