I wrote a program in lammps in which I refered to an existing text file for the coordinates of the atoms, means x,y and z. I did it via read_dump command. First I got the error that the read_dump is an illegal one, so I changed it many times and now it seems that it works…
read_dump dump.xyz 0 x y z box no format xyz
my problem now is that I get the error which says that the dump file itself is not correctly formatted. Actually I used this format as shown below, and since it didn’t work, I tried to add or remove some lines to/from it in my text file (I mean the dump file). My dump file contains actually only coordinates of atoms as x,y and z.But I don not know if I necessarily need to keep all the lines which are for example related to “number of atoms” or “box bounds” etc.
%d (timestep number)
ITEM: NUMBER OF ATOMS
%d (number of atoms)
ITEM: BOX BOUNDS pp pp pp
%f %f (xlo, xhi)
%f %f (ylo, yhi)
%f %f (zlo, zhi)
ITEM: ATOMS id type xs ys zs
%d %d %f %f %f (atomid, type, x-, y-, z, coordinates)
I changed it many times but seems still doesn’t work.
any help would be warmly appreciated