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Metal Charges

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This FAQ applies to: Any version.

The current Babel-based method for preparation of coordinates does not handle metal charges. These may be assigned manually by editing the PDBQT file. Note, formal charges may be too strong for the current force field parameterization.

by Sargis Dallakyan last modified 2012-11-27 10:46
Contributors: Stefano Forli

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