forked from lijiext/lammps
52 lines
1.4 KiB
Plaintext
52 lines
1.4 KiB
Plaintext
"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
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:link(lws,http://lammps.sandia.gov)
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:link(ld,Manual.html)
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:link(lc,Section_commands.html#comm)
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:line
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group2ndx command :h3
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[Syntax:]
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group2ndx file group-ID ... :pre
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file = name of index file to write out :ulb,l
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zero or more group IDs may be appended :l
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:ule
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[Examples:]
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group2ndx allindex.ndx
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group2ndx someindex.ndx upper lower mobile :pre
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[Description:]
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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 "fix colvars"_fix_colvars.html input file.
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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 {all}
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will be renamed to {System} in the index file.
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:line
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[Restrictions:]
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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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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 "Making
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LAMMPS"_Section_start.html#start_3 section for more info.
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[Related commands:]
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"group"_group.html, "dump"_dump.html, "fix colvars"_fix_colvars.html
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[Default:] none
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