[ghemical-devel] Si Parameters for Ghemical 2.02

[Rzepa, Henry]

I note that  Silicon in the  (apparent) Tripos 5.2 force field gives odd results.
For tetramethylsilane for example, one gets a strain energy of  393
and a C-Si bond length of  1.2A.

Is it possible to check that  a corruption of the Si parameters has
not occurred?
-- 

Henry Rzepa. 
+44 (020) 7594 5774 (Voice); +44 (0870) 132 3747 (eFax); rzepahs at mac.com (iChat)
 http://www.ch.ic.ac.uk/rzepa/ Dept. Chemistry, Imperial College London, SW7  2AZ, UK. 

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