You can do either. The best choice is to simulate the same as the
experiment you are trying to help understand, or the system you are trying
to predict.
On May 5, 2015 3:09 AM, "Wang Moye" <wangmoye13.mails.ucas.ac.cn> wrote:
>
>
>
>
> Hello everyone:
>
>
>
> I want to load a pdb file in amber12 through the tleap. I check the
> manul, it says that there are special N- and C-terminal cap residues which
> can be used to neutralize the N and C-terminal in peptide chains when the
> defaults (NH+ 3 for the N-terminal and COO- for the C-terminal) are not
> appropriate. Is it necessary for a PDB file? If I don’t cap the N and C
> terminal, my structure would be effected or not?
>
>
>
> Thank you!
>
>
>
>
>
> Wang moye
>
> Chinese Academy of Sciences
>
>
>
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Received on Tue May 05 2015 - 03:30:02 PDT
