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Expand file tree Collapse file tree Original file line number Diff line number Diff line change @@ -51,8 +51,8 @@ Ghostly requires topology and coordinate files for the reference and perturbed m
5151as input, along with an optional ` mapping ` dictionary that specifies the mapping between
5252atoms in the end states. The molecular inputs can be in any valid file format supported
5353by [ Sire] ( https://sire.openbiosim.org ) . The mapping should be a string representation
54- of a dictionary, where the keys are atom names in the reference state and the values
55- are the corresponding atom names in the perturbed state. This allows the mapping to
54+ of a dictionary, where the keys are atom indices in the reference state and the values
55+ are the corresponding atom indices in the perturbed state. This allows the mapping to
5656be generated programmatically by any suitable external tool.
5757
5858``` bash
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