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< title > group2ndx command — LAMMPS 17 Dec 2015 documentation< / title >
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< li class = "toctree-l1" > < a class = "reference internal" href = "Section_intro.html" > 1. Introduction< / a > < / li >
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< li > group2ndx command< / li >
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< span id = "index-0" > < / span > < h1 > group2ndx command< a class = "headerlink" href = "#group2ndx-command" title = "Permalink to this headline" > ¶< / a > < / h1 >
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< h2 > Syntax< a class = "headerlink" href = "#syntax" title = "Permalink to this headline" > ¶< / a > < / h2 >
< div class = "highlight-python" > < div class = "highlight" > < pre > group2ndx file group-ID ...
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< li > file = name of index file to write out< / li >
< li > zero or more group IDs may be appended< / li >
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< h2 > Examples< a class = "headerlink" href = "#examples" title = "Permalink to this headline" > ¶< / a > < / h2 >
< div class = "highlight-python" > < div class = "highlight" > < pre > group2ndx allindex.ndx
group2ndx someindex.ndx upper lower mobile
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< div class = "section" id = "description" >
< h2 > Description< a class = "headerlink" href = "#description" title = "Permalink to this headline" > ¶< / a > < / h2 >
< p > Write a Gromacs style index file in text format that associates atom IDs
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 class = "reference internal" href = "fix_colvars.html" > < em > fix colvars< / em > < / a > input file.< / p >
< 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 < em > all< / em >
will be renamed to < em > System< / em > in the index file.< / p >
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< h2 > Restrictions< a class = "headerlink" href = "#restrictions" title = "Permalink to this headline" > ¶< / a > < / h2 >
< p > This command requires that atoms have atom IDs, since this is the
information that is written to the index file.< / p >
< p > This fix is part of the USER-COLVARS package. It is only enabled if
LAMMPS was built with that package. See the < a class = "reference internal" href = "Section_start.html#start-3" > < span > Making LAMMPS< / span > < / a > section for more info.< / p >
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< h2 > Related commands< a class = "headerlink" href = "#related-commands" title = "Permalink to this headline" > ¶< / a > < / h2 >
< p > < a class = "reference internal" href = "group.html" > < em > group< / em > < / a > , < a class = "reference internal" href = "dump.html" > < em > dump< / em > < / a > , < a class = "reference internal" href = "fix_colvars.html" > < em > fix colvars< / em > < / a > < / p >
< p > < strong > Default:< / strong > none< / p >
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© Copyright 2013 Sandia Corporation.
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