Hi all,
I need to prepare a .prep file for a non-standard amino acid residue. I
followed the procedure in the tutorial
http://amber.scripps.edu/antechamber/pro4.html. As a test, I generated a
ACE-VAL-NME tripeptide. Going through all steps with antechamber and
gaussian 03, I get a prep file for Valine. However, the charge of each atom
is quite different from that in all_amino03.in. Could anybody tell me what
the reason is?
Thank you!
Wei Chen
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Received on Sun Dec 30 2007 - 06:07:34 PST
