You can use the impose command in leap to force certain dihedral angles, or
you could do md with some restraints. A lot depends on the details of what
you are trying to do.
On Oct 18, 2016 6:19 PM, "Thakur, Abhishek" <axt651.miami.edu> wrote:
> Hi Carlos,
>
> Thank you so much,
>
> It works fine.
>
> Now I have another query,
>
> Now the peptide which has been created in linear, I want to make it "U"
> shaped.
>
> Can you suggest me the method by which I can do it?
>
> ________________________________
> From: Carlos Simmerling <carlos.simmerling.gmail.com>
> Sent: Tuesday, October 18, 2016 10:54:03 AM
> To: AMBER Mailing List
> Subject: Re: [AMBER] how to make peptide
>
> Leap will do this, check the tutorials and the manual.
>
> On Oct 18, 2016 5:52 PM, "Thakur, Abhishek" <axt651.miami.edu> wrote:
>
> > Hi everyone,
> >
> >
> > I am sorry for posting this question here.
> >
> > I have a sequence of amino acid, can anyone suggest me a software to
> > design create that peptide?
> >
> >
> >
> > Thanking you,
> >
> > Abhishek
> >
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Received on Tue Oct 18 2016 - 15:30:03 PDT
