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fix msd command

Syntax:

fix ID group-ID msd N file 

Examples:

fix 1 all msd 100 diff.out 

Description:

Compute the mean-squared displacement of the group of atoms every N steps, including all effects due to atoms passing thru periodic boundaries. The slope of the mean-squared displacement versus time is proportional to the diffusion coefficient of the diffusing atoms. The "origin" of the displacements is the position of each atom at the time the fix command was issued. Write the results to the specified file.

Restrictions: none

Related commands: none

Default: none