[Jmol-users] MEP questions

2014-02-11 Thread Pshemak Maslak
I have visualized MEP for NaCl (molecule) in Spartan and in Jmol). In Spartan, I see MEP mapped on a density surface that correspond to the expectation of ionic sizes (Na+ small, Cl- big). In Jmol, MEP is mapped on what appears to be a molecular surface matching atomic sizes (Na big, Cl

Re: [Jmol-users] MEP questions

2014-02-11 Thread Alexander Rose
Betreff: [Jmol-users] MEP questions I have visualized MEP for NaCl (molecule) in Spartan and in Jmol). In Spartan, I see MEP mapped on a density surface that correspond to the expectation of ionic sizes (Na+ small, Cl- big). In Jmol, MEP is mapped on what appears to be a molecular surface

Re: [Jmol-users] MEP questions

2014-02-11 Thread Robert Hanson
for the isosurface comand, have you tried that? http://chemapps.stolaf.edu/jmol/docs/#isosurface Alex - Ursprüngliche Mail - Von: Pshemak Maslak n...@psu.edu An: jmol-users@lists.sourceforge.net Gesendet: Dienstag, 11. Februar 2014 16:19:44 Betreff: [Jmol-users] MEP questions