From: Sara baretller (sarabiocomputation_at_gmail.com)
Date: Fri Jul 01 2011 - 16:35:28 CDT

Hello

i got the script to work and to loop over the sis peptides

however i have a new problem. it s giving repeated angles this is part of
the outfile. does any body know why this is happening

  0 117.7216
    1.0000 135.7888
    2.0000 55.6326
    3.0000 93.1729
    4.0000 145.5655
    5.0000 87.5752
         0 117.7216
    1.0000 135.7888
    2.0000 55.6326
    3.0000 93.1729
    4.0000 145.5655
    5.0000 87.5752
         0 117.7216
    1.0000 135.7888
    2.0000 55.6326
    3.0000 93.1729
    4.0000 145.5655
    5.0000 87.5752
         0 117.7216
    1.0000 135.7888
    2.0000 55.6326
    3.0000 93.1729
    4.0000 145.5655
    5.0000 87.5752
         0 117.7216
    1.0000 135.7888
    2.0000 55.6326
    3.0000 93.1729
    4.0000 145.5655
    5.0000 87.5752

thank you

>
> Sara