modified on 29 November 2011 at 18:31 ••• 78,968 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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==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
 
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[[File:Nwchem-parameter-file.png|caption]]
 
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Format of NWChem parameter file
+
Figure below illustrates format of NWChem parameter
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[[File:Nwchem-parameter-file.png|frame|Format of NWChem parameter file]]

Revision as of 15:05, 7 October 2010

Conversion from AMBER program parameter files to NWChem format

Figure below illustrates format of NWChem parameter

Format of NWChem parameter file