msd

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1

Hi
what command should I used to calculate msd , get a separate file with
msd data , and plan msd in .msd file ,
timestep 1 (fs)
run 1000000
6400 atom
Lx=Ly=Lz=50 Angestrom
thanks

2

there is a compute for msd

http://lammps.sandia.gov/doc/compute_msd.html

and i believe you can dump it using
http://lammps.sandia.gov/doc/fix_ave_time.html

cheers,

luca