I'm just posting a note about a feature request (from me and others):
The stand-alone sqm code should be able to read in and process external point
charges...a poor-person's QM/MM. This is often a pretty useful way of
representing solvation and other environmental effects. The required code is
obviously present in sander.
Anyway, volunteers are welcome!...thx...dac
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Received on Wed Jun 01 2011 - 05:00:05 PDT
