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clean up the example template
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cli_tutorials/cli_charge_molecules.md

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@@ -88,17 +88,19 @@ The full range of partial charge settings can be found in the snippet bellow, no
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```yaml
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partial_charge:
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# Choose one method:
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method: am1bcc
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# method: am1bccelf10
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# method: espaloma
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# method: nagl
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# method: forcefield # assigns the charges from the specified SMIRNOFF forcefield, see the `forcefields` setting below
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# method: forcefield # use a SMIRNOFF force field to assign charges; requires `forcefields` to be set below
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settings:
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off_toolkit_backend: ambertools
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# off_toolkit_backend: openeye # required for the am1bccelf10 method
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number_of_conformers: null # null specifies the use of the input conformer, a value requests that a new conformer be generated
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number_of_conformers: null # null specifies the use of the input conformer, a value requests that a new conformer be generated. Recommended to use a value of 500 for am1bccelf10.
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# nagl_model: null # null specifies the use of the latest nagl model
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# forcefields: [openff-2.3.0.offxml] # specifies the SMIRNOFF forcefields to use for the `forcefield` method
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# forcefields: [openff-2.3.0.offxml] # list the SMIRNOFF force field(s) used by `method: forcefield`
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```
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## Overwriting Charges

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