[gmx-users] Fatal error: ci = -2147483648 should be in 0 .. 647 [FILE nsgrid.c, LINE 210]

[YOLANDA SMALL]

Hi,

I am trying to do a simulation on a system of approx. 25000 atoms (this number
includes protein, ligand and cofactor in a box of water).  The energy
minimization works fine but the MDrun for 2 ps at 100K fails with this error
(see attached log file for details):

Fatal error: ci = -2147483648 should be in 0 .. 647 [FILE nsgrid.c, LINE 210]

I looked through the archives and this error message appears to be a generic
message for every possible problem.  Is there a way to narrow down what my
problem was caused by?

Thanks,
ys

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