[gmx-users] Helical structure .itp file
jalemkul at vt.edu
Mon May 7 17:16:32 CEST 2018
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 has no ability to construct molecules.
> Would you please help me?
Use Leap in AMBER.
Justin A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
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