[ghemical-devel] Charged species in Ghemical

Rzepa, Henry h.rzepa at imperial.ac.uk
Mon Jul 17 04:20:08 EDT 2006


The 2.02 GUI does not appear to have any mechanism for specifying charged
atoms.

In particular,  I am wondering whether the force field supports eg
alkoxide (O-)  or carbocation  (R3C+)
-- 

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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