Dear all,
I'm trying to build in leap and simulate a peptide with resulting from
the assembly of two peptides with sulfur bonds. The building if the
sulfur bond is not a problem, but leap seems to be unable to dela with
the fact that my resulting peptide has two C-terminal and two N-
terminal A.A. Only two A.A. are correctly recognised as C an N terminal
respectively, the other two are linked. I deleted the bond but free
valence remained. Is it possible modify the pdbResMap (but the double
key has only 0 and 1 values) or do I need to edit the residues in leap
to modify every charge of the residues that are not central but
terminal end build them manually, and what is the best way to do it?
Thank you in advance
Stefano Pieraccini
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Received on Tue Apr 05 2005 - 10:53:01 PDT
