Draw electrostatic potential plot using NWCHEM

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7:29:14 PM PDT - Sun, Sep 16th 2012
How can I draw electrostatic potential plot using NWCHEM?

Forum Vet

3:49:00 PM PDT - Mon, Sep 17th 2012
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