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QMMM Appendix

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(Conversion from AMBER program parameter files to NWChem format)
(Conversion from AMBER program parameter files to NWChem format)
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==Conversion from AMBER program parameter files to NWChem format==
==Conversion from AMBER program parameter files to NWChem format==
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The format of NWChem parameter is illustrated on the figure below. Fortran code that performs conversion from
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AMBER program parameter file format to NWChem is also [[parameter file program|available]].
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Figure below illustrates format of NWChem parameter
 
[[File:Nwchem-parameter-file.png|frame|Format of NWChem parameter file]]
[[File:Nwchem-parameter-file.png|frame|Format of NWChem parameter file]]

Revision as of 15:09, 7 October 2010

Conversion from AMBER program parameter files to NWChem format

The format of NWChem parameter is illustrated on the figure below. Fortran code that performs conversion from AMBER program parameter file format to NWChem is also available.

Format of NWChem parameter file