Hello
first i have simulated a system (kob anderson ) at high temp and i want to use the dumped position at that temp as the input position of lower temp(using read_data command).But in the dump file the particles
are not written sequentially .How can i read the dump file sequentially?
Atreyee
you can easily write a code to do that. its very simple. bcoz you have the molecule id, atom type id as well as serial atomic index. based on these you can write out to some file as the way you want. or to serve your purpose temporarily you can write the restart file at the end of your simulation at some temperature and then use that restart file to perform a separate simulation at a different temperature. also you can convert the restart file to data file using the utility code in lammps.
regards
Bhaskar
Hello
first i have simulated a system (kob anderson ) at high temp and i want to
use the dumped position at that temp as the input position of lower
temp(using read_data command).But in the dump file the particles
are not written sequentially .How can i read the dump file sequentially?
coordinates don't have to be ordered in the data file either.
where is the problem?
axel.