[gmx-users] Fatal error:Max#atoms in a charge group:70>32

Shozeb Haider shozeb at biop.ox.ac.uk
Wed Nov 3 03:00:06 CET 2004

Dear gmx-users,

I am getting the error

Fatal error: Max #atoms in a charge group: 70 > 32

Grompp doesnt complain but I get this once I start minimisation...or
even is a problem when I am adding counter ions using genion.

There were messages posted a while back on this issue, but what I fail
to understand is how different charge groups have been formed for the
same molecule ?  How can this problem be over ridden. I even have tried
switching to PME instead of cutoff but then of no use.

Any insight shall be more than appreciated.

Many thanks


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