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<HTML>
<CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A>
</CENTER>
<HR>
<H3>fix msd command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>fix ID group-ID msd N file
</PRE>
<UL><LI>ID, group-ID are documented in <A HREF = "fix.html">fix</A> command
<LI>msd = style name of this fix command
<LI>N = compute mean-squared displacement every this many timesteps
<LI>file = filename to write mean-squared displacement info to
</UL>
<P><B>Examples:</B>
</P>
<PRE>fix 1 all msd 100 diff.out
</PRE>
<P><B>Description:</B>
</P>
<P>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 displacement for each atom is its position at the time
the fix command was issued. Write the results to the specified file.
</P>
<P><B>Restrictions:</B> none
</P>
<P><B>Related commands:</B> none
</P>
<P><B>Default:</B> none
</P>
</HTML>