While restarting a simulation using read_restart, is there a way to change the simulation box size?
For example, changing the upper limit of y from 20 to 50. I could not find anything that can directly
allow me to implement this change. I know that this can be done by converting the restart file
to a data file and change the settings there. However, as the documentation says the restarted simulation
using this method may not be accurate.
Srikanth
Hi.
You can use “fix … deform …” command. Please take a look at the following link:
http://lammps.sandia.gov/doc/fix_deform.html
While restarting a simulation using read_restart, is there a way to
change the simulation box size?
For example, changing the upper limit of y from 20 to 50. I could not
find anything that can directly
allow me to implement this change. I know that this can be done by
converting the restart file
to a data file and change the settings there. However, as the
documentation says the restarted simulation
using this method may not be accurate.
if you do a massive change of your system size, you won't have a
smooth continuation of your trajectory regardless, so the "lost
accuracy" will be irrelevant. the system will have to equilibrate
anyways.
cheers,
axel.
The change_box command will make an instant change. Fix deform
will do it over the course of a run.
Steve