On 30/11/2011 5:09 PM, Liu, Liang wrote:
Dear all,
I am trying to use tabulated potentials in my simulation. However,
there is a limit on energygrp_table and the grompp reports error.
What error?
The interaction happens between any two of atoms, and their might be
more than 3000 possible couples.
What should I do to remove the limit? Thanks.
We don't know what limit you are observing.
Mark
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