[gmx-users] Helical structure .itp file

[Justin Lemkul]

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

303 Engel Hall
340 West Campus Dr.
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jalemkul at vt.edu | (540) 231-3129
http://www.thelemkullab.com

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