hello everyone,
I want to calculate mean-squared displacement (MSD) for multiple chunks of atoms
but when i try to use the following command ,it gives me error ERROR: Unknown compute style (…/modify.cpp:986)
and i am using lammps-30july2016
can anyone help me??
compute cc1 water chunk/atom molecule
compute myChunk water com/msd cc1
fix 1 water ave/time 100 1 100 c_myChunk[*] file tmp.out mode vector