[CHM Research] Molden

[Andrew J. Pounds]

So it sounds like both of you are having some issues with the last 
molecule.  That was expected.   You might want to review the following 
web pages to help to get some more tips on how to use Molden.

http://people.chem.ucsb.edu/kahn/kalju/chem226/public/task1C.html

http://hjklol.mit.edu/content/quick-tip-building-molecules-molden

The tutorials above will talk about Z-matrix format.  I think the first 
one has a link to a website that describes it more in detail. You both 
may want to have a look at it -- and understand how the coordinates in 
your molecule are related -- before you go any further.  A really useful 
feature of the Z-Mat editor in molden is that it color codes these 
relationships (of you click on an atom in an molecule on the graphical 
display, the associated atoms that are used to define its coordinates 
are highlighted in the editor).

There are other web pages out there - but start with these.  I am also 
going to try and get the "tinker" backend running for you on Molden so 
you can "minimize as you build".


-- 
Andrew J. Pounds, Ph.D.  (pounds_aj at mercer.edu)
Professor of Chemistry and Computer Science
Mercer University,  Macon, GA 31207   (478) 301-5627
http://faculty.mercer.edu/pounds_aj

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