Subject: problem in GAMESS-UK

From: maoxiang <[email-masked]>
Date: Sun, 27 Jun 1999 13:07:20 +0900

Hi, everyone:
      I have sent a message about my problem in the GAMESS-UK, but I do
not receive the answers.  Here I send the same question to you , hope
you can help me. 
      I am doing optimize to my system( I put the mopac file in the
email), but I got the error says that some angle is out of the range of
0 to 180. But when I view the last snapshot of the run, I do not see the
one which cause the problem.I have also set a dummy atom in another
file, but I met the same problem. So would you please tell me how to
solve the problem, and It is important to me in my further works. Thanks
in advance.

With best regards,
Mao 

---------------------------------------------

 O    0.000000 0    0.000000 0    0.000000 0       0    0    0
 H    0.949915 1    0.000000 0    0.000000 0       1    0    0
 H    0.949533 1  109.452784 1    0.000000 0       1    2    0
 C    3.251621 1   97.681942 1  -44.790852 1       2    1    3
 H    2.772200 1   98.979968 1   40.305768 1       2    1    4
 H    2.213362 1  133.358803 1   20.806135 1       2    1    4
 C    1.526653 1  103.094653 1   -0.818695 1       4    2    1
 N    1.474007 1   31.018732 1  111.999691 1       4    2    7
 H    1.107589 1   82.727170 1 -106.490532 1       4    2    7
 H    1.050082 1  139.484306 1  139.616746 1       4    2    7
 O    1.402960 1  107.047210 1  -41.523973 1       7    4    2
 H    1.050090 1  110.994186 1  122.034956 1       7    4   11
 H    1.049837 1  112.252853 1 -119.482879 1       7    4   11
 H    0.971935 1  105.771072 1   62.814553 1      11    7    4
-----------------------------------------------------

  ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
|  Mao Xiang                                                      |
|  Lab of Molecular Regulation for Microbial Secondary Metabolism |
|  Shanghai institute of Plant Physiology, Academia Sinica        |
|  300 Fenglin Road, Shanghai, China, 200032                      |
|  Tel: +86-21-64042090-4791                                      |
|  Fax: +86-21-64042385                                           |
  ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~