[Pw_forum] ELP map with VMD

glevita at units.it glevita at units.it
Sat Jun 14 15:09:25 CEST 2008


Dear All,
I'd like to map the Electrostatic potential of a molecule onto its  
density surface.
I can't make it with XCrysDen, but I found out that VMD can handle its  
.xsf files.

I managed to actually import in VMD the .xsf file of the molecular  
potential I had generated with pp.x... but I got stuck with the  
generation of the density surface and the mapping of the potential. It  
seems I have to download the ASPD plugin, but after having done that,  
I am still unable to make it work.
Did anyone encountered similar problem? Or can suggest me some  
tutorial to read? (unfortunately I wasn't able to get much  
clarification from those I found on the web)
Thank you very much,
  Giacomo Levita (INFM- Univ. of Trieste)


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