Hello Amber users,
Thanks for your last responses.
I understand that molecular reorientation affects MEP and the RESP charges.
There are 6 different orientations for N-Methyl-Acetamide example in
R.E.D(1.0) tutorial.
How can I get this reorientation information (6 different number sets)?
How can I know which molecule needs reorientation or not?
Thanks.
Mikyung
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Received on Wed May 05 2004 - 17:53:00 PDT
