fix_gyration.html
b93436e48b86master

fix_gyration.html
View Options

			<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 gyration command
			</H3>
			<P><B>Syntax:</B>
			</P>
			<PRE>fix ID group-ID gyration N file
			</PRE>
			<UL><LI>ID, group-ID are documented in <A HREF = "fix.html">fix</A> command
			<LI>gyration = style name of this fix command
			<LI>N = compute radius-of-gyration every this many timesteps
			<LI>file = filename to write gyration info to
			</UL>
			<P><B>Examples:</B>
			</P>
			<PRE>fix 1 all gyration 100 molecule.out
			</PRE>
			<P><B>Description:</B>
			</P>
			<P>Compute the radius-of-gyration of the group of atoms every N steps,
			including all effects due to atoms passing thru periodic boundaries.
			Write the results to the specified file.
			</P>
			<P>Rg is a measure of the size of the group of atoms, and is computed by
			this formula
			</P>
			<CENTER><IMG SRC = "Eqs/fix_gyration.jpg">
			</CENTER>
			<P>where M is the total mass of the group and Rcm is the center-of-mass
			position of the group.
			</P>
			<P><B>Restrictions:</B> none
			</P>
			<P><B>Related commands:</B> none
			</P>
			<P><B>Default:</B> none
			</P>
			</HTML>