On Fri, Jun 16, 2017, Saikat Pal wrote:
> After capping of ACE (according to the manual)
You need to examine exactly how you implemented the "according to the
manual" part. You end up with the first residue in a separate chain, and
the ACE cap is actually put onto to the second residue instead of the
first. People on the list don't have enough information about what you
actually did to figure out how or why this happened.
In other language: your description about what you did doesn't match the
resulting 2rd6-leap-1.pdb file.
....dac
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Received on Fri Jun 16 2017 - 08:00:03 PDT
