[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.
(Voracious anti-spam filter in operation for received email.
If expected reply not received, please phone/fax).
More information about the ghemical-devel
mailing list