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updated ltemplify.py docs
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jewettaij committed Oct 13, 2020
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Expand Up @@ -82,6 +82,7 @@ to the molecule of interest and customize the output.
|-ignore-bond-types | Ignore the 2nd column in the "Bonds" section of the LAMMPS data file, and create a "Bond List" section in the resulting MOLTEMPLATE LT file which omits the bond types. (This is useful when using external force fields, such as OPLSAA.)| |
|-ignore-masses | Ignore all masses in the data file. Omit from output file. (This is useful when using external force fields, such as OPLSAA.)|
|-prepend-atom-type *STR* | prepend the string from the *STR* argument to the beginning of all atom type names. |
|-preamble *STR* | Print the string *STR* at the beginning of the file generated by ltemplify.py. (Example: *'import "oplsaa.lt"'*) This argument can be used multiple times if you want to prepend multiple strings at the beginning of the file. |

Examples showing typical argument usage are
[included below](#-Examples).
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