[gmx-users] Helical structure .itp file

[rose rahmani]

Thank you somuch. I build it with anoyher software(Peptide buikder). But
can i add NME and ACE terminals by GROMACS?

On Mon, 7 May 2018, 19:46 Justin Lemkul, <jalemkul at vt.edu> wrote:

>
>
> On 5/7/18 11:14 AM, rose rahmani wrote:
> > Hi ,
> >
> > I want to build poly amino acids like poly threonine(ACE THR THR ... NME)
> > BUT in its helical structure which its topology file is compatible with
> > amber forcefield in GROMACS. Is there any way to build this structure in
> > GROMACS?
>
> GROMACS has no ability to construct molecules.
>
> > Would you please help me?
>
> Use Leap in AMBER.
>
> -Justin
>
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> Justin A. Lemkul, Ph.D.
> Assistant Professor
> Virginia Tech Department of Biochemistry
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