problem in the output dump file particles coordinates exceeding the box length

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1

Dear Sir,
I am running NPT simulation. I am facing some problem in the dump file. some of particles exceeding the box length and not showing any error message like lost atom. I have mention below one configuration dump file information, at this time step the simulation box length in X, Y, Z direction is . AT this time step, coordinate of particles number 204, 312, 122846 etc …are exceeding in X or Y or Z direction. This error i found during analyzing.

Can any one help me to find this problem?

ITEM: TIMESTEP
100
ITEM: NUMBER OF ATOMS
125000
ITEM: BOX BOUNDS pp pp pp
4.7725966765753469e-02 6.4893032455066475e+01
4.7725966765753469e-02 6.4893032455066475e+01
4.7725966765753469e-02 6.4893032455066475e+01

ITEM: ATOMs id type x y z

204 1 13.717 64.9358 13.6396

312 1 64.6082 7.45668 19.6823

122846 1 9.62336 39.1492 64.8896

2

The doc page for the dump command explains

that atoms coords can be slightly outside the box.

And how to change that via dump_modify pbc

if desired.

Steve