I have a bit of a strange problem. I have evaluated a number of Linux
distributions in a VMware Player environment on my 64 bit laptop.
I install the distributions' version of Avogadro in each case.
The OS is BioLinux v-8.0.5 with Avogadro Version 1.1.1
Library Version 1.1.1
Open Babel Version 2.3.2
Qt Version 4.8.6
The problem involves the Extensions/Optimize Geometry feature with
cyclohexane as the test molecule. Cyclohexane as built is a planar
molecule, but when I optimize the geometry it remains in a planar
conformation. However in some of my test systems the geometry is returned
as the chair isomer, which, of course, is correct!
I will make the wild assumption (yes, I know how the word can be broken
down) that there is a missing library. Which one might it be? Is any other
information needed in order to address this rather nagging problem?
Thanks in advance.
Stephen P. Molnar, Ph.D. Life is a fuzzy
set
(614)312-7528 (c)
Stochastic and multivariate
Skype: smolnar1
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