modified on 18 February 2011 at 15:43 ••• 4,248 views

QMMM Input File

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QM/MM Input File: QM Parameters | MM Parameters | QM/MM Parameters |

The input file for QM/MM calculations contains definition of molecular mechanics parameters, quantum mechanical parameters, and QM/MM interface parameters.

Retrieved from "http://www.nwchem-sw.org/index.php/QMMM_Input_File"