[gmx-users] table force-field

Alexandr Malafeev malafeev.a at gmail.com
Tue Aug 5 13:03:34 CEST 2008

Hi Gromacs Users,

In my simulation I have use very complicated potential, I obtained this
potential from Boltzman Inversion of rdf, but when I trying run simulation I
get error

Range checking error:
Explanation: During neighborsearching, we assign each particle to a grid
based on its coordinates. If your system contains collisions or parameter
errors that give particles very high velocities you might end up with some
coordinates being +-Infinity or NaN (not-a-number). Obviously, we cannot
put these on a grid, so this is usually where we detect those errors.
Make sure your system is properly energy-minimized and that the potential
energy seems reasonable before trying again.

Can you help me?

Thanks in advance.
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