Dear All:
Hi, when I am running a NPT simulation, the size of the box is changing, how could I output the length of each dimension? Since I am dumping xyz file, there is no info about the size of box. Are there better ways to know it? Thanks and appreciate your help.
Best Regards,
Huajun
Read the documentation for thermo_style custom. You can dump Lx, Ly, Lz.