Thank you very much for your information!
2017-06-13 10:00 GMT-04:00 David Case <david.case.rutgers.edu>:
> On Tue, Jun 13, 2017, Yue Qian wrote:
> >
> > I have a question regarding the neutral N-terminal proline: I could not
> find
> > the corresponding parameter in the current amber protein force field, ie.
> > ff14SB. All I can find is the NPRO which is the protonated form of N-ter
> > proline. Has the nonprotonated version been developed in AMBER? How can I
> > get access to it if any? Thank you very much!
>
> Sorry...I thought this question had been answered on the mailing list, but
> I guess not.
>
> I'm not aware of any neutral N-terminal proline residues in Amber protein
> libraries (or indeed, of any residues). Maybe someone on the list will
> know
> something more.
>
> ...regards...dac
>
>
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Received on Tue Jun 13 2017 - 07:30:04 PDT
