[lammps-users] ReaxFF question - Data File

Hi Axel,

Thanks for helping me and your prompt reply. But now I get error
saying

please keep cc'ing the mailing list.

LAMMPS (7 Jul 2009)
Reading data file ...
  orthogonal box = (-135 -135 -116) to (135 135 116)
  1 by 1 by 1 processor grid
  205 atoms
Setting up run ...
Memory usage per processor = 1.04148 Mbytes
Step Temp E_pair E_mol TotEng Press
       0 300 -35396.17 0 -35213.745
92.454012
ERROR: Lost atoms: original 205 current 1

this means that there is likely a problem with your
input geometry or your time step or something else.
this is a problem of physics and not the format.

also this is covered extensively in the documentation.

axel.