Dear Ahmet,
You could use R.E.D. Server Dev. at
http://q4md-forcefieldtools.org/REDServer-Development/
I wonder if HF/6-31g(d) is suitable in yoru case; see the RESP-X1
charge model (or RESP-X11).
regards, Francois
> 1-) I must conduct the geometry optimization using the ONIOM method
> and the B3LYP/6-31g(d):AMBER level of theory. Therefore I have to
> use Gaussian software?
>
> 2-) I want to charges of residues bound to metal and metal in active
> site at HF/6-31g(d) level of theory using the RESP procedure. Can I
> do it using AMBER? Which tool(s) should I use? And can you suggest
> me a tutorial?
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Received on Wed Apr 23 2014 - 00:00:03 PDT
