Step 2 - LigParGen Output

Presuming that your molecule wasn’t too exotic and LigParGen managed to do its thing you’ll be presented with a page containing a lot of download options for the generated data. All Dissolve needs is the XML data containing the forcefield terms (found under the OpenMM section) and the 3D XYZ coordinates of the target molecule (found under the Tinker section). Download both of those individually, or alternatively grab the ZIP file which contains all of the available data files.

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