Dear Steave,
I use atom_style hybrid bond dpd.
When we make the data file , Atom section each line should be atom Id atom type x y z substyle-1 substyle 2
for bond substyle 1 is molecule !d but for dpd there is nothing like that.
SO In my datafile i put Atom section as atom id atom type x y z molecule id .
But I get an error like this
LAMMPS (12 Feb 2007)
Scanning data file …
1 = max bonds/atom
Reading data file …
1 by 1 by 1 processor grid
ERROR on proc 0: Invalid atom type in Atoms section of data file
[0] MPI Abort by user Aborting program !
[0] Aborting program!
p0_32324: p4_error: : 1
Please help me ,
Prathyusha K.R.
Graduate research student,
Complex Fluids Laboratory ,
IIT Madras.
Chennai.
Dear Steave,
I use atom_style hybrid bond dpd.
When we make the data file , Atom section each line should be atom Id atom
type x y z substyle-1 substyle 2
for bond substyle 1 is molecule !d but for dpd there is nothing like that.
SO In my datafile i put Atom section as atom id atom type x y z molecule id
from the example in the docs it is obvious, that moleculeid should
go _before_ the coordinates.
The format of each atom line is as you indicated, with moleclue ID
the last entry, due to the hybrid atom style. This error:
ERROR on proc 0: Invalid atom type in Atoms section of data file
indicates an atom type is either 0 or larger than the max atom type
you specify in the header of the data file. The type should be
the 2nd column. So check those values.