On 1/12/2011 3:25 AM, lina wrote:
The Y-size of the box (1.999239) times the triclinic skew factor
(1.000000) is smaller than the number of DD cells (2) times the
smallest allowed cell size (1.000000)
I don't understand the fatal error message it has been given during a
simple run,
I tested with large box already, during editconf I used -d 30 already,
it's a very small peptide, the box dimension is 63.95000 60.76600 62.9990
Your system may be too small to parallelize over the number of
processors you are using (and as usual, it would have been a good idea
to supply your mdrun command line unless you enjoy wasting time when
people make wrong guesses).
Mark
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