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corrected a typo in README.md
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jewettaij committed Oct 20, 2020
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### Limitations for preparing all-atom simulations

Moltemplate [does *not* choose atom types automatically ("atom typing")](http://moltemplate.org/force_field_recommendations.html), and 3rd-party tools may be needed to calculate atomic partial charges accurately.
*(For non-trivial molecules, users are encouraged to use the [ATB](https://atb.uq.edu.au) database, or use a 3rd-party molecule-builder and convert the resulting files to LAMMPS format using OpenBabel followed by [ltemplify.py](./doc/doc_ltemplify.py. Alternatively, the DREIDING force field has simple [atom type rules](./doc/DREIDING_Label_Manual.pdf).)
*(For non-trivial molecules, users are encouraged to use the [ATB](https://atb.uq.edu.au) database, or use a 3rd-party molecule-builder and convert the resulting files to LAMMPS format using OpenBabel followed by [ltemplify.py](./doc/doc_ltemplify.py). Alternatively, the DREIDING force field has simple [atom type rules](./doc/DREIDING_Label_Manual.pdf).)


## Typical usage
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