Marco, The optimized results should be in the last frame. Jonathan On Oct 4, 2010, at 1:30 PM, [email protected] wrote:
> Message: 4 > Date: Mon, 4 Oct 2010 13:49:46 -0400 > From: Marco Zimmer-De Iuliis <[email protected]> > Subject: Re: [Jmol-users] Can't visualize molecular orbitals from > GAMESS(US) output > To: [email protected] > Message-ID: > <[email protected]> > Content-Type: text/plain; charset="iso-8859-1" > > Thanks for your help. > > That worked - the "molecular orbitals" is no longer greyed out and I > can > display them, but the geometry of the molecule is not optimized - it > is > showing the second step of the optimization process with molecular > orbitals > displayed on those coordinates. > > Shouldn't the molecular orbtials be displayed on the optimized > structure? > > Thanks again, > Marco Dr. Jonathan H. Gutow Chemistry Department [email protected] UW-Oshkosh Office:920-424-1326 800 Algoma Boulevard FAX:920-424-2042 Oshkosh, WI 54901 http://www.uwosh.edu/facstaff/gutow ------------------------------------------------------------------------------ Virtualization is moving to the mainstream and overtaking non-virtualized environment for deploying applications. Does it make network security easier or more difficult to achieve? Read this whitepaper to separate the two and get a better understanding. http://p.sf.net/sfu/hp-phase2-d2d _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
