On Thu, Sep 24, 2015 at 3:11 PM, Xing <stecue.gmail.com> wrote:
> Dear all,
>
> I'm simulating a peptide without any capping group at the C-terminus. Is
> there a "-OH" residue that I can use in xleap to build a free carboxyl
> group using "sequence" command?
>
No. You will have to create a new residue with a protonated carboxylic
acid terminus. All C-termini in Amber are charged.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Thu Sep 24 2015 - 12:30:04 PDT
