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The first I think is clear you have a charged system, if its not
suposed to be charged look on your *.gro file.
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This mean that when the box is created one of the sizes of the box is
really small look again in the *.gro file for the vector's box size and
look if any of them is unusual small, if yes just change by hand to a
larger number.
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Hector Martínez-Seara Monné
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Universidad de Barcelona
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Dept. Química Fisica<br>
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