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.