modified on 29 November 2011 at 17:31 ••• 84,078 views

QMMM Appendix

From NWChem

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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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Figure below illustrates format of NWChem parameter  
Figure below illustrates format of NWChem parameter  
[[File:Nwchem-parameter-file.png|caption]]
[[File:Nwchem-parameter-file.png|caption]]
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Format of NWChem parameter file
Format of NWChem parameter file

Revision as of 14:02, 7 October 2010

Conversion from AMBER program parameter files to NWChem format

Figure below illustrates format of NWChem parameter caption

Format of NWChem parameter file