Hi, all,
Can I ask you one more question about RESP
calculation?
If you open the below linkage:
http://linus.chem.wesleyan.edu/~model/week08/demo/resp_charge_fit/bis-napthyl/re_bis1.in
What's the meaning for the constraint:
13 -1.000
1 19 1 20 1 21 1 22 1 23
1 24 1 25 1 26
1 27 2 20 2 25 2 26 2 27
It seems so weird.
Thanks,
Yuhui
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Received on Thu Aug 28 2003 - 03:53:01 PDT
