forked from lijiext/lammps
59 lines
1.6 KiB
HTML
59 lines
1.6 KiB
HTML
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<HTML>
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<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>
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</CENTER>
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<HR>
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<H3>group2ndx command
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</H3>
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<P><B>Syntax:</B>
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</P>
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<PRE>group2ndx file group-ID ...
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</PRE>
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<UL><LI>file = name of index file to write out
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<LI>zero or more group IDs may be appended
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</UL>
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<P><B>Examples:</B>
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</P>
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<PRE>group2ndx allindex.ndx
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group2ndx someindex.ndx upper lower mobile
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</PRE>
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<P><B>Description:</B>
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</P>
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<P>Write a Gromacs style index file in text format that associates atom IDs
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with the corresponding group definitions. This index file can be used
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with in combination with Gromacs analysis tools or to import group
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definitions into the <A HREF = "fix_colvars.html">fix colvars</A> input file.
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</P>
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<P>Without specifying any group IDs, all groups will be written to the index
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file. When specifying group IDs, only those groups will be written to the
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index file. In order to follow the Gromacs conventions, the group <I>all</I>
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will be renamed to <I>System</I> in the index file.
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</P>
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<HR>
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<P><B>Restrictions:</B>
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</P>
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<P>This command requires that atoms have atom IDs, since this is the
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information that is written to the index file.
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</P>
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<P>This fix is part of the USER-COLVARS package. It is only enabled if
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LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
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LAMMPS</A> section for more info.
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</P>
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<P><B>Related commands:</B>
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</P>
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<P><A HREF = "group.html">group</A>, <A HREF = "dump.html">dump</A>, <A HREF = "fix_colvars.html">fix colvars</A>
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</P>
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<P><B>Default:</B> none
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</P>
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</HTML>
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