3:49:00 PM PDT - Mon, Sep 17th 2012 |
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You could use the ESP module, even though the main task for the ESP module is to derive
partial atomic charges that fit the quantum mechanical electrostatic potential.
http://nwchemgit.github.io/index.php/Release61:ESP
The ESP module generates a .plt file that contains the computed electrostatic potential,
in a file that can be viewed by gOpemol as described in
http://nwchemgit.github.io/Special_AWCforum/st/id541/plt_files_from_nwchem.html
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