Dear All,
The compute gyration command in LAMMPS helps in calculating the equivalent diameter of non-spherical particles. I have taken a simple case of three linear nanoparticles with equal diameter to verify the gyration value. These three linear nanoparticles of 3 nm diameter each touch each other and gives the gyration squared value of 600 nm.nm (manually calculated). But the one I am getting form LAMMPS is 23 nm.nm
Please help!
Dear All,
The compute gyration command in LAMMPS helps in calculating the equivalent diameter of non-spherical particles. I have taken a simple case of three linear nanoparticles with equal diameter to verify the gyration value. These three linear nanoparticles of 3 nm diameter each touch each other and gives the gyration squared value of 600 nm.nm (manually calculated). But the one I am getting form LAMMPS is 23 nm.nm
please show us what exactly you calculated manually and what your LAMMPS input is.
axel.