AMBER Archive (2006)

Subject: AMBER: output of first stage RESP calculation

From: JunJun Liu (ljjlp03_at_gmail.com)
Date: Wed May 24 2006 - 17:23:55 CDT

Dear all,

I found the following information in the output of my first stage resp
fit. I know the first column is the atom serial number, but what do the
followed three digit stand for? Can anybody who knows please tell me?
Thanks!

===========================================
   there are 3 charge constraints:

      1 1 0 1
      2 1 0 1
      3 1 0 1
      4 1 0 1
      5 1 0 1
      6 1 0 1
      7 0 0 1
      8 0 0 1
      9 0 0 1
     10 0 0 1
     11 0 0 1
     12 0 0 1
     13 0 0 1
     14 0 0 1
     15 0 0 1
     16 0 0 1
     17 0 1 1
     18 0 1 1
     19 0 1 1
     20 0 1 1
     21 0 1 1
     22 0 1 1
======================================= 

-- 
JunJun Liu

College of Chemistry
Central China Normal University
WuHan   430079
P.R. China
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