BioSimSpace.IO.readPerturbableSystem¶
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BioSimSpace.IO.readPerturbableSystem(top0, coords0, top1, coords1, property_map={})¶ Read a perturbable system from file.
- Parameters
top0 (str) – The path to the topology file for the lambda=0 end state.
coords0 (str) – The path to the coordinate file for the lambda=0 end state.
top1 (str) – The path to the topology file for the lambda=1 end state.
coords1 (str) – The path to the coordinate file for the lambda=1 end state.
property_map (dict) – A dictionary that maps system “properties” to their user defined values. This allows the user to refer to properties with their own naming scheme, e.g. { “charge” : “my-charge” }
- Returns
system – A molecular system.
- Return type