[gmx-users] Limit on energygrp_table

Liu, Liang liu4gre at gmail.com
Wed Nov 30 07:09:07 CET 2011


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.
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.

-- 
Best,
Liang Liu
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