Would you please directly refer me to the exact page and manual. Which page
directly refer to this issue?
Then, i want its topology files for gromacs and not simulate in amber.
Best
-roja
On Sun, 6 May 2018, 17:31 Carlos Simmerling, <carlos.simmerling.gmail.com>
wrote:
> You can use the impose command in leap to build a helical backbone. See the
> manual for details.
>
> On Sun, May 6, 2018, 2:53 AM roja rahmani <roja.rhmn.gmail.com> wrote:
>
> > Hi,
> >
> > I want to have poly threonine(10 threonine) but in helix form and then
> add
> > NME and ACE add terminals. I draw it in PYMOL but there are some problems
> > in structure which is not identified by amber.
> >
> > Is there any way to have this molecule in helux form directly in amber?
> And
> > extract its .prmtop aand .incprd file Would you please help me?
> >
> > Best regards
> > -roja
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Received on Sun May 06 2018 - 06:30:03 PDT
