Hi,
I have been trying to generate parameters for a deprotonated serine with
the PyRED server.
I am relatively new to PyRED, but I have had other things work.
I have read the tutorial (
http://q4md-forcefieldtools.org/Tutorial/Tutorial-4.php#26), and I
generated what I believe to be the correct PDB for a fragment-based
approach (attached). I also added a project.config file (attached), but I
am not sure why this does not give me the correct files (it does not appear
to recognize this as 3 separate fragments). Any help would be greatly
appreciated, and I hope I am missing something simple.
My job ID was P24863.
Thank you,
Edward Kalkreuter
--
Edward Kalkreuter
PhD Candidate, Williams Lab
Department of Chemistry
North Carolina State University
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Received on Wed Aug 05 2015 - 20:00:03 PDT
