Hi everyone,
I want to obtain the electrostatic potential in order to get RESP
Charges. Does MP2 method gives more accurate results than B3LYP? Or
B3LYP is better? I have a Zinc ion in my model system.
Thank you very much~~~
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Mar 26 2012 - 02:00:02 PDT
