From: Austin B. Yongye (ybausty_at_yahoo.com)
Date: Mon Nov 10 2008 - 17:05:01 CST
I would like to generate ESP partial atomic charges for a glycine residue, modified at the C-terminus with a thioester moiety and capped at the N-terminus with an acetyl group.
It is not clear to me, how to treat the charges for the rest of the residue after the acetyl group has been removed.
This is my target residue:
Any ideas will be appreciated.
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