Molecular electrostatic potential: Difference between revisions
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New page: The following pdf file describes (1) how to generate the electrostatic molecular potential (MEP) from a VASP calculation, (2) how to plot the MEP on a charge density isosurface using VMD. |
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The following pdf file describes (1) how to generate the electrostatic | The following pdf file (mep_vmd.pdf) describes (1) how to generate the molecular electrostatic potential (MEP) from a VASP calculation, (2) how to plot the MEP on a charge density isosurface using VMD. | ||
[http://aliga.iciq.es/wiki/index.php/Image:mep_vmd.pdf To access the file clik on this link] (make a zoom in some of the figures to see the VMD settings properly) | |||
Latest revision as of 11:48, 30 May 2017
The following pdf file (mep_vmd.pdf) describes (1) how to generate the molecular electrostatic potential (MEP) from a VASP calculation, (2) how to plot the MEP on a charge density isosurface using VMD.
To access the file clik on this link (make a zoom in some of the figures to see the VMD settings properly)