[gmx-users] how to restrain secondary structure?

Justin Lemkul jalemkul at vt.edu
Sat Nov 25 21:02:21 CET 2017

On 11/25/17 2:37 PM, Albert wrote:
> Hello,
> I would like to add a small force constant to the backbone of a-helix 
> and b-strand. I am just wondering how can we do this in Gromacs?

Apply [dihedral_restraints] to the phi and psi torsions you want to 



Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
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