Dear all,
I generated a data file using VMD, Topotools and it looks fine, but Lammps gives an error stating- Did not assign all atoms correctly.
My Tcl script and output data files are attached.
To run the simulation I manually changed the dimensions of the box in the datafile.The hanged values are also included.
Can someone tell what is going wrong.
regards,
Ashish
try.tcl (1.52 KB)
data.composite (529 KB)
in.compositerun (484 Bytes)