AMBER Archive (2009)

Subject: [AMBER] thioglycoside

From: Alexander Schierholt (aschierholt_at_oc.uni-kiel.de)
Date: Mon Jan 26 2009 - 08:46:28 CST

Dear all,

I want to make a cysteine which has an S-link to a mannose. If I take
CYM, protect the N and C-function and then set the S-atom to tail and
connect this to 1MA I can't save my top and crd. I also tried to make
the molecule with antechamber but again, I couldn't save the top and crd
files. Does anybody has an idea or experience with this problem?

Thanks a lot
Alexander Schierholt

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