‘fix Temp_out all ave/spatial 20 500 10000 x 0.48949 0.000811654 y 0.23729 0.025 c_ke units reduced & file 0.001.dat’.

Why it starts from the lower boundary of box on x and y instead of my reduced value? Did misunderstand something?>

I’m not sure what you’re asking. The values for x you specifiied: x 0.48949 0.000811654

are an origin and binsize in reduced units.

Origin does not mean the 1st bin starts at that value. Instead the doc page says:

In each dimension, bins are defined relative to a specified *origin*, which may be the lower/upper edge of the simulation box (in *dim*) or its center point, or a specified coordinate value. Starting at the origin, sufficient bins are created in both directions to completely cover the box. On subsequent timesteps every atom is mapped to one of the bins. Atoms beyond the lowermost/uppermost bin in a dimension are counted in the first/last bin in that dimension.

So if your origin is not at the end of the box, bins may go in both directions from the origin to

entirely tile the simulation box. Thus the 1st bin would start to the left of the origin. All that

is guaranteed is that a bin boundary (between 2 bins) is at the “origin”.

Steve