AMBER Archive (2003)

Subject: AMBER: RESP calculation

From: Yuhui Cheng (amberuser1_at_yahoo.com)
Date: Wed Aug 27 2003 - 21:04:57 CDT

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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